| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.5 | Very low | 51.5 | Low | 194 Ų | 194 | 121 Ų | 121 | 96% | 0.956 | 63% | 0.626 | S | S | * | * | 0 | 74.6 | 0 | -70.8 | -170.7 | 169.1 | 0 | 0 | 110.8 | |||||
| 2 | K | 38.1 | Very low | 53.7 | Low | 207 Ų | 207 | 111.2 Ų | 111.2 | 90% | 0.9 | 58% | 0.575 | S | S | * | * | trans | -125.2 | -7.6 | 176 | -100.2 | -173.1 | 176.6 | -176.9 | 0 | 115 | ||||
| 3 | N | 35.4 | Very low | 55.7 | Low | 155 Ų | 155 | 103 Ų | 103 | 83% | 0.829 | 53% | 0.533 | S | S | * | . | trans | -136.4 | 105 | -177.1 | -67.2 | -7.5 | 0 | 0 | 0 | 110.2 | ||||
| 4 | S | 38.5 | Very low | 57.4 | Low | 91 Ų | 91 | 102.7 Ų | 102.7 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | trans | 174.2 | 106.2 | 149.5 | 53 | 0 | 0 | 0 | 0 | 109.9 | S6 | S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 3.48Å | ||
| 5 | E | 43.2 | Very low | 59.1 | Low | 204 Ų | 204 | 98.9 Ų | 98.9 | 95% | 0.953 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -75.3 | 75.3 | 174 | -67.3 | 176.7 | 153.6 | 0 | 0 | 110.7 | ||
| 6 | S | 48.3 | Very low | 60.6 | Low | 99 Ų | 99 | 92.7 Ų | 92.7 | 69% | 0.692 | 47% | 0.473 | S | S | * | . | trans | 173.2 | 84.9 | 156 | 57.8 | 0 | 0 | 0 | 0 | 107.1 | S4 D8 | S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 3.48Å; S6-D8 PolarHBondContact O-N 2.93Å | ||
| 7 | F | 50.2 | Low | 62 | Low | 103 Ų | 103 | 92.1 Ų | 92.1 | 45% | 0.452 | 46% | 0.464 | S | S | . | . | trans | -72.9 | 110.2 | 175.3 | -119.1 | -90 | 0 | 0 | 0 | 108.2 | D11 | F7-D11 HydrophobicContact CD1-CB 4.17Å; F7-D11 HydrophobicContact CE1-CB 4.16Å | ||
| 8 | D | 65.1 | Low | 63.1 | Low | 82 Ų | 82 | 91 Ų | 91 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | trans | -72.3 | 129.8 | 175.2 | -159.1 | -29.9 | 0 | 0 | 0 | 107.7 | S6 Q10 D11 | S6-D8 PolarHBondContact O-N 2.93Å; D8-Q10 PolarHBondContact O-N 3.43Å; D8-D11 WeakPolarHBondContact O-CB 3.41Å; D8-D11 PolarHBondContact O-N 3.32Å | ||
| 9 | P | 63.8 | Low | 64.1 | Low | 40 Ų | 40 | 86.8 Ų | 86.8 | 26% | 0.26 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -51.6 | -25.4 | 176.8 | 17.5 | -32.6 | 0 | 0 | 0 | 113.5 | D11 T12 Q55 A59 | P9-D11 VanDerWaalsContact C-N 3.29Å; P9-D11 PolarHBondContact O-N 3.4Å; P9-T12 PolarHBondContact O-N 2.91Å; P9-Q55 HydrophobicContact CB-CB 4.44Å; P9-A59 HydrophobicContact CB-CB 4.05Å; P9-A59 WeakPolarHBondContact O-CB 2.92Å |
| 10 | Q | 72.2 | Confident | 65.1 | Low | 95 Ų | 95 | 82.5 Ų | 82.5 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.2 | -29.1 | 172.3 | -63.3 | -171.6 | 0.5 | 0 | 0 | 114 | D8 T12 V13 K14 | D8-Q10 PolarHBondContact O-N 3.43Å; Q10-T12 VanDerWaalsContact C-N 3.27Å; Q10-T12 PolarHBondContact O-N 3.44Å; Q10-V13 PolarHBondContact O-N 3.33Å; Q10-K14 WeakPolarHBondContact O-CG 3.44Å; Q10-K14 PolarHBondContact O-N 3.45Å |
| 11 | D | 76.2 | Confident | 65.9 | Low | 61 Ų | 61 | 80.8 Ų | 80.8 | 33% | 0.326 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.6 | -30.4 | 179.6 | -67.8 | -28.6 | 0 | 0 | 0 | 111.9 | F7 D8 P9 K14 F15 | F7-D11 HydrophobicContact CD1-CB 4.17Å; F7-D11 HydrophobicContact CE1-CB 4.16Å; D8-D11 WeakPolarHBondContact O-CB 3.41Å; D8-D11 PolarHBondContact O-N 3.32Å; P9-D11 VanDerWaalsContact C-N 3.29Å; P9-D11 PolarHBondContact O-N 3.4Å; D11-K14 PolarHBondContact O-N 3.42Å; D11-F15 VanDerWaalsContact O-CB 3.27Å; D11-F15 WeakPolarHBondContact O-CB 3.17Å; D11-F15 PolarHBondContact O-N 2.78Å |
| 12 | T | 78.2 | Confident | 68 | Low | 3 Ų | 3 | 78.2 Ų | 78.2 | 2% | 0.018 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 174.7 | -55 | 0 | 0 | 0 | 0 | 111 | P9 Q10 F15 I16 T48 Q55 L56 | P9-T12 PolarHBondContact O-N 2.91Å; Q10-T12 VanDerWaalsContact C-N 3.27Å; Q10-T12 PolarHBondContact O-N 3.44Å; T12-F15 PolarHBondContact O-N 3.07Å; T12-I16 WeakPolarHBondContact O-CG1 3.34Å; T12-I16 PolarHBondContact O-N 3.16Å; T12-T48 HydrophobicContact CG2-CG2 3.85Å; T12-Q55 PolarHBondContact OG1-OE1 3.48Å; T12-L56 HydrophobicContact CG2-CD2 3.96Å; T12-L56 HydrophobicContact CG2-CG 4.27Å |
| 13 | V | 79.4 | Confident | 69.9 | Low | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | Q10 F15 I16 Y17 L56 A59 L60 F68 F166 | Q10-V13 PolarHBondContact O-N 3.33Å; V13-F15 VanDerWaalsContact C-N 3.28Å; V13-F15 PolarHBondContact O-N 3.5Å; V13-I16 PolarHBondContact O-N 2.91Å; V13-Y17 WeakPolarHBondContact O-CB 3.37Å; V13-Y17 PolarHBondContact O-N 3Å; V13-L56 HydrophobicContact CG2-CD2 3.76Å; V13-A59 HydrophobicContact CG2-CB 3.63Å; V13-L60 HydrophobicContact CG1-CD1 4.08Å; V13-L60 HydrophobicContact CG1-CD2 4.23Å; V13-L60 HydrophobicContact CG1-CG 4.49Å; V13-L60 HydrophobicContact CG2-CD1 3.7Å; V13-L60 HydrophobicContact CG2-CD2 4.31Å; V13-L60 HydrophobicContact CG2-CG 3.84Å; V13-F68 HydrophobicContact CG1-CD2 4.18Å; V13-F68 HydrophobicContact CG1-CE2 3.92Å; V13-F68 HydrophobicContact CG1-CZ 4.45Å; V13-F166 HydrophobicContact CG1-CZ 4.45Å |
| 14 | K | 79.6 | Confident | 71.8 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 176.6 | -72.2 | 175.3 | -174.2 | 165.8 | 0 | 111.9 | Q10 D11 Y17 C18 | Q10-K14 WeakPolarHBondContact O-CG 3.44Å; Q10-K14 PolarHBondContact O-N 3.45Å; D11-K14 PolarHBondContact O-N 3.42Å; K14-Y17 PolarHBondContact O-N 2.9Å; K14-C18 WeakPolarHBondContact O-CB 3.48Å; K14-C18 PolarHBondContact O-N 2.9Å; K14-C18 PolarHBondContact O-SG 2.9Å |
| 15 | F | 82.3 | Confident | 73.6 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 20% | 0.197 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 177 | 174.2 | -100.6 | 0 | 0 | 0 | 111.9 | D11 T12 V13 Y17 C18 I19 R44 | D11-F15 VanDerWaalsContact O-CB 3.27Å; D11-F15 WeakPolarHBondContact O-CB 3.17Å; D11-F15 PolarHBondContact O-N 2.78Å; T12-F15 PolarHBondContact O-N 3.07Å; V13-F15 VanDerWaalsContact C-N 3.28Å; V13-F15 PolarHBondContact O-N 3.5Å; F15-Y17 VanDerWaalsContact C-N 3.34Å; F15-C18 PolarHBondContact O-N 3.48Å; F15-I19 HydrophobicContact CD1-CD1 4.11Å; F15-I19 HydrophobicContact CD2-CD1 4Å; F15-I19 HydrophobicContact CE1-CD1 3.53Å; F15-I19 HydrophobicContact CE2-CD1 3.4Å; F15-I19 HydrophobicContact CE2-CG1 4.39Å; F15-I19 HydrophobicContact CG-CD1 4.32Å; F15-I19 HydrophobicContact CZ-CD1 3.13Å; F15-I19 HydrophobicContact CZ-CG1 4.45Å; F15-I19 WeakPolarHBondContact O-CG1 3.34Å; F15-I19 PolarHBondContact O-N 3.47Å; F15-I19 VanDerWaalsContact O-N 3.1Å; F15-R44 HydrophobicContact CE1-CG 4.15Å; F15-R44 HydrophobicContact CZ-CB 4.36Å; F15-R44 HydrophobicContact CZ-CG 3.8Å |
| 16 | I | 84.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.6 | -62.9 | 176.1 | 0 | 0 | 0 | 110.5 | T12 V13 I19 L20 V45 F49 L56 F68 | T12-I16 WeakPolarHBondContact O-CG1 3.34Å; T12-I16 PolarHBondContact O-N 3.16Å; V13-I16 PolarHBondContact O-N 2.91Å; I16-I19 PolarHBondContact O-N 3.42Å; I16-L20 HydrophobicContact CG2-CD1 3.71Å; I16-L20 HydrophobicContact CG2-CG 4.18Å; I16-L20 WeakPolarHBondContact O-CB 3.47Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 2.86Å; I16-V45 HydrophobicContact CG1-CG1 4.37Å; I16-V45 HydrophobicContact CG2-CG1 4.05Å; I16-F49 HydrophobicContact CD1-CD1 4.17Å; I16-F49 HydrophobicContact CD1-CE1 3.6Å; I16-F49 HydrophobicContact CD1-CZ 4.13Å; I16-F49 HydrophobicContact CG2-CZ 4.11Å; I16-L56 HydrophobicContact CD1-CD1 3.77Å; I16-L56 HydrophobicContact CD1-CD2 3.78Å; I16-L56 HydrophobicContact CD1-CG 4.37Å; I16-F68 HydrophobicContact CB-CZ 4.13Å; I16-F68 HydrophobicContact CD1-CZ 4.31Å; I16-F68 HydrophobicContact CG2-CE2 4.36Å; I16-F68 HydrophobicContact CG2-CZ 3.79Å |
| 17 | Y | 83.4 | Confident | 75.8 | Confident | 83 Ų | 83 | 47.6 Ų | 47.6 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.7 | -52.3 | 177.3 | -179.6 | -93.2 | 0 | 0 | 0 | 111.6 | V13 K14 F15 I19 L20 D21 W71 F166 | V13-Y17 WeakPolarHBondContact O-CB 3.37Å; V13-Y17 PolarHBondContact O-N 3Å; K14-Y17 PolarHBondContact O-N 2.9Å; F15-Y17 VanDerWaalsContact C-N 3.34Å; Y17-I19 VanDerWaalsContact C-N 3.35Å; Y17-I19 PolarHBondContact O-N 3.33Å; Y17-L20 PolarHBondContact O-N 3.36Å; Y17-D21 WeakPolarHBondContact O-CB 3.37Å; Y17-D21 PolarHBondContact O-N 3.1Å; Y17-W71 HydrophobicContact CD2-CD2 4.44Å; Y17-W71 HydrophobicContact CD2-CE3 4.36Å; Y17-W71 AromaticContact CD2-CH2 3.5Å; Y17-W71 HydrophobicContact CD2-CH2 3.5Å; Y17-W71 AromaticContact CD2-CZ2 3.56Å; Y17-W71 HydrophobicContact CD2-CZ2 3.56Å; Y17-W71 AromaticContact CD2-CZ3 3.92Å; Y17-W71 HydrophobicContact CD2-CZ3 3.92Å; Y17-W71 AromaticContact CE2-CE2 3.86Å; Y17-W71 HydrophobicContact CE2-CH2 4.01Å; Y17-W71 AromaticContact CE2-CZ2 3.55Å; Y17-W71 HydrophobicContact CE2-CZ2 3.55Å; Y17-W71 HydrophobicContact CG-CH2 4.1Å; Y17-W71 HydrophobicContact CG-CZ2 4.44Å; Y17-W71 WeakPolarHBondContact O-CH2 3.3Å; Y17-F166 HydrophobicContact CD2-CD1 4.09Å; Y17-F166 AromaticContact CD2-CE1 3.87Å; Y17-F166 HydrophobicContact CD2-CE1 3.87Å; Y17-F166 HydrophobicContact CE2-CD1 4.15Å; Y17-F166 HydrophobicContact CE2-CE1 4.29Å |
| 18 | C | 81.9 | Confident | 76.5 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 49% | 0.486 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | -179.3 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | K14 F15 E22 | K14-C18 WeakPolarHBondContact O-CB 3.48Å; K14-C18 PolarHBondContact O-N 2.9Å; K14-C18 PolarHBondContact O-SG 2.9Å; F15-C18 PolarHBondContact O-N 3.48Å; C18-E22 WeakPolarHBondContact O-CB 3.14Å; C18-E22 PolarHBondContact O-N 3.18Å |
| 19 | I | 83.3 | Confident | 76.4 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.1 | -51.6 | -179.5 | -69.8 | 176.8 | 0 | 0 | 0 | 111.2 | F15 I16 Y17 D21 I23 L41 V45 | F15-I19 HydrophobicContact CD1-CD1 4.11Å; F15-I19 HydrophobicContact CD2-CD1 4Å; F15-I19 HydrophobicContact CE1-CD1 3.53Å; F15-I19 HydrophobicContact CE2-CD1 3.4Å; F15-I19 HydrophobicContact CE2-CG1 4.39Å; F15-I19 HydrophobicContact CG-CD1 4.32Å; F15-I19 HydrophobicContact CZ-CD1 3.13Å; F15-I19 HydrophobicContact CZ-CG1 4.45Å; F15-I19 WeakPolarHBondContact O-CG1 3.34Å; F15-I19 PolarHBondContact O-N 3.47Å; F15-I19 VanDerWaalsContact O-N 3.1Å; I16-I19 PolarHBondContact O-N 3.42Å; Y17-I19 VanDerWaalsContact C-N 3.35Å; Y17-I19 PolarHBondContact O-N 3.33Å; I19-D21 VanDerWaalsContact C-N 3.33Å; I19-D21 PolarHBondContact O-N 2.64Å; I19-I23 HydrophobicContact CG2-CD1 3.55Å; I19-I23 HydrophobicContact CG2-CG1 4.31Å; I19-I23 WeakPolarHBondContact O-CB 3.33Å; I19-I23 WeakPolarHBondContact O-CG1 3.48Å; I19-I23 PolarHBondContact O-N 3.48Å; I19-L41 HydrophobicContact CD1-CD2 4.14Å; I19-L41 HydrophobicContact CG2-CB 4.06Å; I19-V45 HydrophobicContact CB-CG2 4.08Å; I19-V45 HydrophobicContact CD1-CG2 4.07Å; I19-V45 HydrophobicContact CG2-CG2 3.67Å |
| 20 | L | 84.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.7 | -34.4 | -176 | -68.5 | -178.5 | 0 | 0 | 0 | 112.2 | I16 Y17 A24 L42 W71 C72 R75 L76 I79 | I16-L20 HydrophobicContact CG2-CD1 3.71Å; I16-L20 HydrophobicContact CG2-CG 4.18Å; I16-L20 WeakPolarHBondContact O-CB 3.47Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 2.86Å; Y17-L20 PolarHBondContact O-N 3.36Å; L20-A24 WeakPolarHBondContact O-CB 3.44Å; L20-A24 PolarHBondContact O-N 3.07Å; L20-L42 HydrophobicContact CD2-CD2 4.32Å; L20-W71 HydrophobicContact CB-CH2 3.78Å; L20-W71 HydrophobicContact CB-CZ3 3.93Å; L20-W71 HydrophobicContact CD1-CZ3 4.13Å; L20-C72 HydrophobicContact CD1-CB 4.26Å; L20-R75 HydrophobicContact CB-CB 4.41Å; L20-L76 HydrophobicContact CD2-CD2 3.83Å; L20-L76 HydrophobicContact CD2-CG 4.48Å; L20-I79 HydrophobicContact CD2-CD1 4.13Å |
| 21 | D | 81.8 | Confident | 75 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73.2 | -42.8 | 178.3 | -156.3 | 58.2 | 0 | 0 | 0 | 111.8 | Y17 I19 A24 G25 W71 R75 | Y17-D21 WeakPolarHBondContact O-CB 3.37Å; Y17-D21 PolarHBondContact O-N 3.1Å; I19-D21 VanDerWaalsContact C-N 3.33Å; I19-D21 PolarHBondContact O-N 2.64Å; D21-A24 PolarHBondContact O-N 3.41Å; D21-G25 PolarHBondContact O-N 3Å; D21-W71 HydrophobicContact CB-CH2 4.11Å; D21-W71 HydrophobicContact CB-CZ2 3.88Å; D21-R75 IonicContact OD1-CZ 3.48Å; D21-R75 IonicContact OD1-NE 2.69Å; D21-R75 PolarHBondContact OD1-NE 3.44Å; D21-R75 IonicContact OD1-NH2 4Å; D21-R75 PolarHBondContact OD1-NH2 3.19Å |
| 22 | E | 79.6 | Confident | 73.7 | Confident | 140 Ų | 140 | 56.2 Ų | 56.2 | 65% | 0.654 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 176 | -173.8 | 177 | -172.7 | 0 | 0 | 111.1 | C18 S26 | C18-E22 WeakPolarHBondContact O-CB 3.14Å; C18-E22 PolarHBondContact O-N 3.18Å; E22-S26 VanDerWaalsContact O-CB 3.23Å; E22-S26 WeakPolarHBondContact O-CB 3.48Å; E22-S26 PolarHBondContact O-N 2.95Å; E22-S26 PolarHBondContact O-OG 3.38Å |
| 23 | I | 76.6 | Confident | 72.2 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 5% | 0.046 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.5 | -53.1 | 176.1 | -63.7 | 174.1 | 0 | 0 | 0 | 109.6 | I19 G25 S26 V27 L38 L41 L42 I79 | I19-I23 HydrophobicContact CG2-CD1 3.55Å; I19-I23 HydrophobicContact CG2-CG1 4.31Å; I19-I23 WeakPolarHBondContact O-CB 3.33Å; I19-I23 WeakPolarHBondContact O-CG1 3.48Å; I19-I23 PolarHBondContact O-N 3.48Å; I23-G25 VanDerWaalsContact C-N 3.34Å; I23-G25 PolarHBondContact O-N 3.28Å; I23-S26 PolarHBondContact O-N 2.97Å; I23-S26 PolarHBondContact O-OG 3.35Å; I23-S26 VanDerWaalsContact O-OG 3.06Å; I23-V27 WeakPolarHBondContact O-CG2 3.26Å; I23-V27 PolarHBondContact O-N 3.14Å; I23-V27 VanDerWaalsContact O-N 3.12Å; I23-L38 HydrophobicContact CB-CD2 4.29Å; I23-L38 HydrophobicContact CD1-CD2 3.98Å; I23-L38 HydrophobicContact CG1-CD2 3.6Å; I23-L38 HydrophobicContact CG2-CD2 3.88Å; I23-L41 HydrophobicContact CD1-CB 4.36Å; I23-L42 HydrophobicContact CD1-CD2 3.7Å; I23-L42 HydrophobicContact CD1-CG 3.96Å; I23-I79 HydrophobicContact CB-CD1 4.05Å; I23-I79 HydrophobicContact CG2-CD1 3.68Å; I23-I79 HydrophobicContact CG2-CG1 3.85Å; I23-I79 HydrophobicContact CG2-CG2 4.11Å |
| 24 | A | 76.3 | Confident | 70.9 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 3% | 0.033 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.3 | -36.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L20 D21 R75 I79 | L20-A24 WeakPolarHBondContact O-CB 3.44Å; L20-A24 PolarHBondContact O-N 3.07Å; D21-A24 PolarHBondContact O-N 3.41Å; A24-R75 HydrophobicContact CB-CB 4.31Å; A24-R75 HydrophobicContact CB-CG 4.38Å; A24-I79 HydrophobicContact CB-CD1 4.28Å; A24-I79 HydrophobicContact CB-CG1 4.04Å |
| 25 | G | 74.8 | Confident | 69.6 | Low | 48 Ų | 48 | 65.8 Ų | 65.8 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -75.9 | -24.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | D21 I23 | D21-G25 PolarHBondContact O-N 3Å; I23-G25 VanDerWaalsContact C-N 3.34Å; I23-G25 PolarHBondContact O-N 3.28Å |
| 26 | S | 71.1 | Confident | 68.4 | Low | 31 Ų | 31 | 69.3 Ų | 69.3 | 22% | 0.217 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -90.4 | -14.3 | 178.3 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | E22 I23 D28 H29 I30 | E22-S26 VanDerWaalsContact O-CB 3.23Å; E22-S26 WeakPolarHBondContact O-CB 3.48Å; E22-S26 PolarHBondContact O-N 2.95Å; E22-S26 PolarHBondContact O-OG 3.38Å; I23-S26 PolarHBondContact O-N 2.97Å; I23-S26 PolarHBondContact O-OG 3.35Å; I23-S26 VanDerWaalsContact O-OG 3.06Å; S26-D28 PolarHBondContact O-N 3.42Å; S26-D28 VanDerWaalsContact O-N 3.16Å; S26-H29 CarbonylContact O-C 3.59Å; S26-H29 WeakPolarHBondContact O-CA 3.34Å; S26-H29 PolarHBondContact O-N 3.32Å; S26-I30 VanDerWaalsContact O-CG1 3.24Å; S26-I30 WeakPolarHBondContact O-CG1 3.46Å; S26-I30 PolarHBondContact O-N 2.96Å; S26-I30 WeakPolarHBondContact OG-CD1 3.23Å |
| 27 | V | 68 | Low | 67.4 | Low | 20 Ų | 20 | 71.3 Ų | 71.3 | 12% | 0.121 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -35.4 | -175.9 | -161.4 | 0 | 0 | 0 | 0 | 112.8 | I23 H29 I79 R82 | I23-V27 WeakPolarHBondContact O-CG2 3.26Å; I23-V27 PolarHBondContact O-N 3.14Å; I23-V27 VanDerWaalsContact O-N 3.12Å; V27-H29 VanDerWaalsContact C-N 3.29Å; V27-H29 PolarHBondContact O-N 3.35Å; V27-I79 HydrophobicContact CG2-CG1 4.35Å; V27-R82 HydrophobicContact CB-CB 4.13Å; V27-R82 HydrophobicContact CG1-CB 3.41Å; V27-R82 VanDerWaalsContact CG1-CB 3.41Å |
| 28 | D | 64.9 | Low | 66.6 | Low | 114 Ų | 114 | 68.8 Ų | 68.8 | 61% | 0.61 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -19.3 | 178.1 | -64.1 | -24.7 | 0 | 0 | 0 | 112.9 | S26 R82 | S26-D28 PolarHBondContact O-N 3.42Å; S26-D28 VanDerWaalsContact O-N 3.16Å; D28-R82 IonicContact OD1-NE 3.7Å |
| 29 | H | 62.2 | Low | 66 | Low | 168 Ų | 168 | 68.4 Ų | 68.4 | 78% | 0.778 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -23 | -179 | -67 | -18.5 | 0 | 0 | 0 | 113.4 | S26 V27 G31 | S26-H29 CarbonylContact O-C 3.59Å; S26-H29 WeakPolarHBondContact O-CA 3.34Å; S26-H29 PolarHBondContact O-N 3.32Å; V27-H29 VanDerWaalsContact C-N 3.29Å; V27-H29 PolarHBondContact O-N 3.35Å; H29-G31 VanDerWaalsContact C-N 3.34Å; H29-G31 PolarHBondContact O-N 3.02Å |
| 30 | I | 53.6 | Low | 65.6 | Low | 50 Ų | 50 | 71.5 Ų | 71.5 | 26% | 0.256 | 41% | 0.414 | S | S | . | . | trans | -79.1 | 88.9 | 173.9 | -60.6 | 163.2 | 0 | 0 | 0 | 106.6 | S26 V35 L38 | S26-I30 VanDerWaalsContact O-CG1 3.24Å; S26-I30 WeakPolarHBondContact O-CG1 3.46Å; S26-I30 PolarHBondContact O-N 2.96Å; S26-I30 WeakPolarHBondContact OG-CD1 3.23Å; I30-V35 HydrophobicContact CG2-CG2 3.87Å; I30-L38 HydrophobicContact CD1-CD1 4.35Å | ||
| 31 | G | 52.7 | Low | 65.4 | Low | 50 Ų | 50 | 74.7 Ų | 74.7 | 52% | 0.515 | 43% | 0.431 | S | S | . | . | trans | -60.1 | -159.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H29 C33 | H29-G31 VanDerWaalsContact C-N 3.34Å; H29-G31 PolarHBondContact O-N 3.02Å; G31-C33 PolarHBondContact O-N 3.48Å | ||
| 32 | E | 49.7 | Very low | 65.3 | Low | 180 Ų | 180 | 72.5 Ų | 72.5 | 84% | 0.841 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -59.2 | 8.3 | -177.6 | -65.2 | -175.6 | 157.7 | 0 | 0 | 116.5 | Q34 | E32-Q34 PolarHBondContact O-N 3.35Å; E32-Q34 VanDerWaalsContact O-N 3.15Å |
| 33 | C | 47.6 | Very low | 65.3 | Low | 96 Ų | 96 | 68.5 Ų | 68.5 | 65% | 0.649 | 41% | 0.406 | S | S | * | . | trans | -63.3 | 117.1 | 172.3 | -111.2 | 0 | 0 | 0 | 0 | 110.2 | G31 V35 | G31-C33 PolarHBondContact O-N 3.48Å; C33-V35 HydrophobicContact CB-CG2 4.25Å; C33-V35 PolarHBondContact O-N 3.08Å | ||
| 34 | Q | 52.1 | Low | 65.5 | Low | 152 Ų | 152 | 75 Ų | 75 | 71% | 0.71 | 43% | 0.43 | S | S | * | . | trans | -62.7 | 75.7 | 170.3 | -66.2 | 177.2 | -8.5 | 0 | 0 | 110.6 | E32 T36 F85 | E32-Q34 PolarHBondContact O-N 3.35Å; E32-Q34 VanDerWaalsContact O-N 3.15Å; Q34-T36 PolarHBondContact O-N 3.33Å; Q34-F85 HydrophobicContact CG-CE2 4.42Å; Q34-F85 HydrophobicContact CG-CZ 3.91Å | ||
| 35 | V | 52.3 | Low | 65.8 | Low | 61 Ų | 61 | 74.8 Ų | 74.8 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | trans | -78 | 79.5 | 175.5 | -170 | 0 | 0 | 0 | 0 | 108.3 | I30 C33 G37 L38 | I30-V35 HydrophobicContact CG2-CG2 3.87Å; C33-V35 HydrophobicContact CB-CG2 4.25Å; C33-V35 PolarHBondContact O-N 3.08Å; V35-G37 PolarHBondContact O-N 3.41Å; V35-L38 HydrophobicContact CB-CD1 4.1Å; V35-L38 HydrophobicContact CB-CG 4.33Å; V35-L38 HydrophobicContact CG1-CD1 4.46Å; V35-L38 HydrophobicContact CG1-CG 4.17Å; V35-L38 PolarHBondContact O-N 3.29Å; V35-L38 VanDerWaalsContact O-N 3.1Å | ||
| 36 | T | 56 | Low | 66.2 | Low | 119 Ų | 119 | 73.9 Ų | 73.9 | 73% | 0.73 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -18.2 | 167.5 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | Q34 L38 P40 | Q34-T36 PolarHBondContact O-N 3.33Å; T36-L38 VanDerWaalsContact C-N 3.33Å; T36-L38 PolarHBondContact O-N 2.94Å; T36-P40 VanDerWaalsContact O-CD 3.32Å; T36-P40 WeakPolarHBondContact O-CD 3.26Å |
| 37 | G | 62.2 | Low | 66.6 | Low | 42 Ų | 42 | 74.6 Ų | 74.6 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | V35 P40 | V35-G37 PolarHBondContact O-N 3.41Å; G37-P40 WeakPolarHBondContact O-CD 3.41Å |
| 38 | L | 67.2 | Low | 67.2 | Low | 30 Ų | 30 | 73.8 Ų | 73.8 | 16% | 0.157 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -74.9 | -35.9 | 178.9 | -76.4 | 163.9 | 0 | 0 | 0 | 112.8 | I23 I30 V35 T36 L41 L42 | I23-L38 HydrophobicContact CB-CD2 4.29Å; I23-L38 HydrophobicContact CD1-CD2 3.98Å; I23-L38 HydrophobicContact CG1-CD2 3.6Å; I23-L38 HydrophobicContact CG2-CD2 3.88Å; I30-L38 HydrophobicContact CD1-CD1 4.35Å; V35-L38 HydrophobicContact CB-CD1 4.1Å; V35-L38 HydrophobicContact CB-CG 4.33Å; V35-L38 HydrophobicContact CG1-CD1 4.46Å; V35-L38 HydrophobicContact CG1-CG 4.17Å; V35-L38 PolarHBondContact O-N 3.29Å; V35-L38 VanDerWaalsContact O-N 3.1Å; T36-L38 VanDerWaalsContact C-N 3.33Å; T36-L38 PolarHBondContact O-N 2.94Å; L38-L41 PolarHBondContact O-N 2.85Å; L38-L42 PolarHBondContact O-N 3.27Å; L38-L42 VanDerWaalsContact O-N 3.14Å |
| 39 | L | 69.3 | Low | 68.1 | Low | 64 Ų | 64 | 68.5 Ų | 68.5 | 34% | 0.335 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | -175 | -146.8 | 89 | 0 | 0 | 0 | 113 | L41 L42 S43 V91 | L39-L41 VanDerWaalsContact C-N 3.28Å; L39-L41 PolarHBondContact O-N 3.25Å; L39-L42 PolarHBondContact O-N 3.41Å; L39-S43 PolarHBondContact O-N 3.04Å; L39-S43 PolarHBondContact O-OG 3.41Å; L39-V91 HydrophobicContact CD1-CG2 3.94Å; L39-V91 HydrophobicContact CG-CG2 4.41Å |
| 40 | P | 75.5 | Confident | 68.8 | Low | 76 Ų | 76 | 64.2 Ų | 64.2 | 49% | 0.494 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -28 | 177.5 | -22.5 | 34.5 | 0 | 0 | 0 | 114 | T36 G37 S43 R44 | T36-P40 VanDerWaalsContact O-CD 3.32Å; T36-P40 WeakPolarHBondContact O-CD 3.26Å; G37-P40 WeakPolarHBondContact O-CD 3.41Å; P40-S43 WeakPolarHBondContact CA-OG 3.44Å; P40-S43 PolarHBondContact O-OG 2.82Å; P40-S43 VanDerWaalsContact O-OG 3.06Å; P40-R44 WeakPolarHBondContact O-CB 3.46Å; P40-R44 PolarHBondContact O-N 2.85Å; P40-R44 VanDerWaalsContact O-N 3.14Å |
| 41 | L | 79.3 | Confident | 69.9 | Low | 67 Ų | 67 | 70.8 Ų | 70.8 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.7 | -45.8 | 177.1 | -69.4 | 174.4 | 0 | 0 | 0 | 110.6 | I19 I23 L38 L39 R44 V45 | I19-L41 HydrophobicContact CD1-CD2 4.14Å; I19-L41 HydrophobicContact CG2-CB 4.06Å; I23-L41 HydrophobicContact CD1-CB 4.36Å; L38-L41 PolarHBondContact O-N 2.85Å; L39-L41 VanDerWaalsContact C-N 3.28Å; L39-L41 PolarHBondContact O-N 3.25Å; L41-R44 WeakPolarHBondContact O-CB 3.2Å; L41-R44 PolarHBondContact O-N 3.22Å; L41-V45 WeakPolarHBondContact O-CG2 3.4Å; L41-V45 PolarHBondContact O-N 3.16Å |
| 42 | L | 80.5 | Confident | 71 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 175.6 | -70.5 | 175.4 | 0 | 0 | 0 | 111.8 | L20 I23 L38 L39 R44 V45 E46 V91 L95 | L20-L42 HydrophobicContact CD2-CD2 4.32Å; I23-L42 HydrophobicContact CD1-CD2 3.7Å; I23-L42 HydrophobicContact CD1-CG 3.96Å; L38-L42 PolarHBondContact O-N 3.27Å; L38-L42 VanDerWaalsContact O-N 3.14Å; L39-L42 PolarHBondContact O-N 3.41Å; L42-R44 PolarHBondContact O-N 2.9Å; L42-V45 WeakPolarHBondContact O-CB 3.14Å; L42-V45 PolarHBondContact O-N 2.93Å; L42-V45 VanDerWaalsContact O-N 3.09Å; L42-E46 PolarHBondContact O-N 3.03Å; L42-V91 HydrophobicContact CB-CG1 3.76Å; L42-V91 HydrophobicContact CD1-CG1 4.38Å; L42-L95 HydrophobicContact CB-CD1 3.86Å; L42-L95 HydrophobicContact CD2-CD1 3.66Å; L42-L95 HydrophobicContact CG-CD1 4.26Å |
| 43 | S | 79.2 | Confident | 72.3 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.6 | -30.8 | 175.8 | 70.2 | 0 | 0 | 0 | 0 | 112.4 | L39 P40 E46 S47 | L39-S43 PolarHBondContact O-N 3.04Å; L39-S43 PolarHBondContact O-OG 3.41Å; P40-S43 WeakPolarHBondContact CA-OG 3.44Å; P40-S43 PolarHBondContact O-OG 2.82Å; P40-S43 VanDerWaalsContact O-OG 3.06Å; S43-E46 WeakPolarHBondContact O-CB 3.43Å; S43-E46 PolarHBondContact O-N 2.89Å; S43-S47 WeakPolarHBondContact O-CB 3.49Å; S43-S47 PolarHBondContact O-N 2.94Å |
| 44 | R | 80.5 | Confident | 73.4 | Confident | 145 Ų | 145 | 68.3 Ų | 68.3 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 173.4 | -159 | 161.7 | -178.5 | 131.1 | 1 | 111.5 | F15 P40 L41 L42 E46 S47 T48 | F15-R44 HydrophobicContact CE1-CG 4.15Å; F15-R44 HydrophobicContact CZ-CB 4.36Å; F15-R44 HydrophobicContact CZ-CG 3.8Å; P40-R44 WeakPolarHBondContact O-CB 3.46Å; P40-R44 PolarHBondContact O-N 2.85Å; P40-R44 VanDerWaalsContact O-N 3.14Å; L41-R44 WeakPolarHBondContact O-CB 3.2Å; L41-R44 PolarHBondContact O-N 3.22Å; L42-R44 PolarHBondContact O-N 2.9Å; R44-E46 VanDerWaalsContact C-N 3.3Å; R44-E46 PolarHBondContact O-N 3.21Å; R44-S47 PolarHBondContact O-N 3.35Å; R44-S47 PolarHBondContact O-OG 2.73Å; R44-T48 PolarHBondContact O-N 3.33Å; R44-T48 PolarHBondContact O-OG1 3.38Å |
| 45 | V | 84.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 172.4 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | I16 I19 L41 L42 S47 T48 F49 L95 | I16-V45 HydrophobicContact CG1-CG1 4.37Å; I16-V45 HydrophobicContact CG2-CG1 4.05Å; I19-V45 HydrophobicContact CB-CG2 4.08Å; I19-V45 HydrophobicContact CD1-CG2 4.07Å; I19-V45 HydrophobicContact CG2-CG2 3.67Å; L41-V45 WeakPolarHBondContact O-CG2 3.4Å; L41-V45 PolarHBondContact O-N 3.16Å; L42-V45 WeakPolarHBondContact O-CB 3.14Å; L42-V45 PolarHBondContact O-N 2.93Å; L42-V45 VanDerWaalsContact O-N 3.09Å; V45-S47 PolarHBondContact O-N 3.42Å; V45-T48 WeakPolarHBondContact CA-OG1 3.35Å; V45-T48 WeakPolarHBondContact O-CB 3.43Å; V45-T48 PolarHBondContact O-N 2.93Å; V45-T48 VanDerWaalsContact O-N 3.14Å; V45-T48 PolarHBondContact O-OG1 2.9Å; V45-F49 HydrophobicContact CG1-CD2 4.13Å; V45-F49 HydrophobicContact CG1-CE2 3.55Å; V45-F49 HydrophobicContact CG1-CZ 3.91Å; V45-F49 PolarHBondContact O-N 3.41Å; V45-L95 HydrophobicContact CB-CD2 3.79Å; V45-L95 HydrophobicContact CG1-CD2 3.61Å |
| 46 | E | 81.5 | Confident | 75.7 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62 | -45.3 | 177.2 | -168.2 | -161.7 | 157.1 | 0 | 0 | 111.2 | L42 S43 R44 T48 F49 K50 L95 | L42-E46 PolarHBondContact O-N 3.03Å; S43-E46 WeakPolarHBondContact O-CB 3.43Å; S43-E46 PolarHBondContact O-N 2.89Å; R44-E46 VanDerWaalsContact C-N 3.3Å; R44-E46 PolarHBondContact O-N 3.21Å; E46-T48 VanDerWaalsContact C-N 3.26Å; E46-T48 PolarHBondContact O-N 3.44Å; E46-F49 PolarHBondContact O-N 3.21Å; E46-F49 VanDerWaalsContact O-N 3.12Å; E46-K50 HydrophobicContact CG-CD 4.4Å; E46-K50 PolarHBondContact O-N 2.91Å; E46-K50 VanDerWaalsContact OE1-CE 3.27Å; E46-K50 WeakPolarHBondContact OE1-CE 3.47Å; E46-K50 IonicContact OE1-NZ 3.57Å; E46-K50 PolarHBondContact OE1-NZ 3.49Å; E46-L95 VanDerWaalsContact CA-CD2 3.49Å; E46-L95 HydrophobicContact CB-CD2 3.67Å; E46-L95 HydrophobicContact CB-CG 4.15Å; E46-L95 HydrophobicContact CG-CD2 4.41Å |
| 47 | S | 79.4 | Confident | 76.6 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -34.8 | 175.1 | 81 | 0 | 0 | 0 | 0 | 112.3 | S43 R44 V45 K50 Y51 | S43-S47 WeakPolarHBondContact O-CB 3.49Å; S43-S47 PolarHBondContact O-N 2.94Å; R44-S47 PolarHBondContact O-N 3.35Å; R44-S47 PolarHBondContact O-OG 2.73Å; V45-S47 PolarHBondContact O-N 3.42Å; S47-K50 PolarHBondContact O-N 3.47Å; S47-Y51 WeakPolarHBondContact O-CB 3.19Å; S47-Y51 WeakPolarHBondContact O-CD2 3.24Å; S47-Y51 PolarHBondContact O-N 3.49Å |
| 48 | T | 81.7 | Confident | 77.4 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 173.3 | 16.1 | 0 | 0 | 0 | 0 | 111.9 | T12 R44 V45 E46 R52 H53 | T12-T48 HydrophobicContact CG2-CG2 3.85Å; R44-T48 PolarHBondContact O-N 3.33Å; R44-T48 PolarHBondContact O-OG1 3.38Å; V45-T48 WeakPolarHBondContact CA-OG1 3.35Å; V45-T48 WeakPolarHBondContact O-CB 3.43Å; V45-T48 PolarHBondContact O-N 2.93Å; V45-T48 VanDerWaalsContact O-N 3.14Å; V45-T48 PolarHBondContact O-OG1 2.9Å; E46-T48 VanDerWaalsContact C-N 3.26Å; E46-T48 PolarHBondContact O-N 3.44Å; T48-R52 HydrophobicContact CG2-CB 4.07Å; T48-R52 HydrophobicContact CG2-CG 4.34Å; T48-R52 CarbonylContact O-C 3.57Å; T48-R52 VanDerWaalsContact O-C 3.22Å; T48-R52 VanDerWaalsContact O-CA 3.27Å; T48-R52 WeakPolarHBondContact O-CA 3.4Å; T48-R52 WeakPolarHBondContact O-CB 3.48Å; T48-R52 PolarHBondContact O-N 3.3Å; T48-H53 PolarHBondContact O-N 3.03Å |
| 49 | F | 82.8 | Confident | 77.7 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | 175.2 | -65.3 | -40.1 | 0 | 0 | 0 | 112.2 | I16 V45 E46 H53 L56 F68 L95 L99 | I16-F49 HydrophobicContact CD1-CD1 4.17Å; I16-F49 HydrophobicContact CD1-CE1 3.6Å; I16-F49 HydrophobicContact CD1-CZ 4.13Å; I16-F49 HydrophobicContact CG2-CZ 4.11Å; V45-F49 HydrophobicContact CG1-CD2 4.13Å; V45-F49 HydrophobicContact CG1-CE2 3.55Å; V45-F49 HydrophobicContact CG1-CZ 3.91Å; V45-F49 PolarHBondContact O-N 3.41Å; E46-F49 PolarHBondContact O-N 3.21Å; E46-F49 VanDerWaalsContact O-N 3.12Å; F49-H53 WeakPolarHBondContact O-CB 3.11Å; F49-L56 HydrophobicContact CD1-CD1 3.73Å; F49-L56 HydrophobicContact CE1-CD1 3.95Å; F49-F68 HydrophobicContact CE1-CE1 4.49Å; F49-L95 HydrophobicContact CD2-CD2 4.04Å; F49-L95 HydrophobicContact CE2-CD2 4.04Å; F49-L99 HydrophobicContact CD1-CD1 4.2Å; F49-L99 HydrophobicContact CD2-CB 4.29Å; F49-L99 HydrophobicContact CE1-CD1 3.73Å; F49-L99 HydrophobicContact CE2-CB 4.24Å; F49-L99 HydrophobicContact CE2-CD1 4.32Å; F49-L99 HydrophobicContact CZ-CD1 3.81Å |
| 50 | K | 77.5 | Confident | 78.1 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -74.2 | -46 | 179.5 | -76.7 | 179.7 | 173 | 172 | 0 | 113.6 | E46 S47 H53 S98 | E46-K50 HydrophobicContact CG-CD 4.4Å; E46-K50 PolarHBondContact O-N 2.91Å; E46-K50 VanDerWaalsContact OE1-CE 3.27Å; E46-K50 WeakPolarHBondContact OE1-CE 3.47Å; E46-K50 IonicContact OE1-NZ 3.57Å; E46-K50 PolarHBondContact OE1-NZ 3.49Å; S47-K50 PolarHBondContact O-N 3.47Å; K50-H53 PolarHBondContact O-CD2 2.96Å; K50-H53 VanDerWaalsContact O-CD2 3.26Å; K50-S98 WeakPolarHBondContact CE-OG 3.49Å |
| 51 | Y | 76 | Confident | 78.3 | Confident | 188 Ų | 188 | 57.1 Ų | 57.1 | 74% | 0.737 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -112.4 | -20.7 | -167.3 | -57.8 | -70.4 | 0 | 0 | 0 | 114.4 | S47 | S47-Y51 WeakPolarHBondContact O-CB 3.19Å; S47-Y51 WeakPolarHBondContact O-CD2 3.24Å; S47-Y51 PolarHBondContact O-N 3.49Å |
| 52 | R | 75.5 | Confident | 78.1 | Confident | 118 Ų | 118 | 57.8 Ų | 57.8 | 45% | 0.445 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -115.7 | 18.2 | -179.2 | -60.8 | -170.6 | 179.1 | -170.3 | -1.5 | 113.6 | T48 Y54 Q55 | T48-R52 HydrophobicContact CG2-CB 4.07Å; T48-R52 HydrophobicContact CG2-CG 4.34Å; T48-R52 CarbonylContact O-C 3.57Å; T48-R52 VanDerWaalsContact O-C 3.22Å; T48-R52 VanDerWaalsContact O-CA 3.27Å; T48-R52 WeakPolarHBondContact O-CA 3.4Å; T48-R52 WeakPolarHBondContact O-CB 3.48Å; T48-R52 PolarHBondContact O-N 3.3Å; R52-Y54 PolarHBondContact O-N 3.24Å; R52-Q55 PolarHBondContact O-N 3.49Å; R52-Q55 VanDerWaalsContact O-N 3.08Å |
| 53 | H | 77.3 | Confident | 78 | Confident | 39 Ų | 39 | 64 Ų | 64 | 18% | 0.181 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.6 | -30.2 | -178.3 | 51.1 | 65.4 | 0 | 0 | 0 | 114.9 | T48 F49 K50 L56 S57 F102 H106 | T48-H53 PolarHBondContact O-N 3.03Å; F49-H53 WeakPolarHBondContact O-CB 3.11Å; K50-H53 PolarHBondContact O-CD2 2.96Å; K50-H53 VanDerWaalsContact O-CD2 3.26Å; H53-L56 WeakPolarHBondContact O-CB 3.42Å; H53-L56 PolarHBondContact O-N 3.1Å; H53-S57 PolarHBondContact O-N 2.9Å; H53-S57 VanDerWaalsContact O-N 3.09Å; H53-F102 HydrophobicContact CB-CD2 3.36Å; H53-F102 HydrophobicContact CB-CE2 3.82Å; H53-F102 HydrophobicContact CB-CG 4.18Å; H53-F102 WeakPolarHBondContact O-CE2 3.32Å; H53-H106 AromaticContact CE1-NE2 3.48Å; H53-H106 PolarHBondContact CE1-NE2 3.03Å; H53-H106 AromaticContact CG-NE2 3.69Å; H53-H106 AromaticContact ND1-CE1 3.73Å; H53-H106 AromaticContact ND1-NE2 3.03Å; H53-H106 PolarHBondContact ND1-NE2 3.43Å |
| 54 | Y | 71.8 | Confident | 78.1 | Confident | 117 Ų | 117 | 63.6 Ų | 63.6 | 46% | 0.459 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.2 | -35.3 | -178.9 | -175 | -110.9 | 0 | 0 | 0 | 112.5 | R52 L56 S57 Q58 | R52-Y54 PolarHBondContact O-N 3.24Å; Y54-L56 PolarHBondContact O-N 2.78Å; Y54-S57 PolarHBondContact O-N 3.28Å; Y54-S57 PolarHBondContact O-OG 3.26Å; Y54-Q58 HydrophobicContact CD1-CG 4.1Å; Y54-Q58 HydrophobicContact CD2-CG 4.45Å; Y54-Q58 HydrophobicContact CE1-CG 3.75Å; Y54-Q58 HydrophobicContact CE2-CG 4.08Å; Y54-Q58 HydrophobicContact CG-CG 4.45Å; Y54-Q58 VanDerWaalsContact CZ-CD 3.45Å; Y54-Q58 WeakPolarHBondContact O-CB 3.46Å; Y54-Q58 WeakPolarHBondContact O-CG 3.48Å; Y54-Q58 PolarHBondContact O-N 2.85Å; Y54-Q58 PolarHBondContact OH-NE2 3.25Å |
| 55 | Q | 76.1 | Confident | 78.3 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 175.6 | -66.3 | 179.8 | -20 | 0 | 0 | 110.7 | P9 T12 R52 A59 | P9-Q55 HydrophobicContact CB-CB 4.44Å; T12-Q55 PolarHBondContact OG1-OE1 3.48Å; R52-Q55 PolarHBondContact O-N 3.49Å; R52-Q55 VanDerWaalsContact O-N 3.08Å; Q55-A59 VanDerWaalsContact O-CB 3.22Å; Q55-A59 WeakPolarHBondContact O-CB 3.18Å; Q55-A59 PolarHBondContact O-N 3.43Å |
| 56 | L | 75.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.6 | -45 | 175.9 | -64.4 | 171.3 | 0 | 0 | 0 | 112 | T12 V13 I16 F49 H53 Y54 Q58 A59 L60 F102 | T12-L56 HydrophobicContact CG2-CD2 3.96Å; T12-L56 HydrophobicContact CG2-CG 4.27Å; V13-L56 HydrophobicContact CG2-CD2 3.76Å; I16-L56 HydrophobicContact CD1-CD1 3.77Å; I16-L56 HydrophobicContact CD1-CD2 3.78Å; I16-L56 HydrophobicContact CD1-CG 4.37Å; F49-L56 HydrophobicContact CD1-CD1 3.73Å; F49-L56 HydrophobicContact CE1-CD1 3.95Å; H53-L56 WeakPolarHBondContact O-CB 3.42Å; H53-L56 PolarHBondContact O-N 3.1Å; Y54-L56 PolarHBondContact O-N 2.78Å; L56-Q58 VanDerWaalsContact C-N 3.3Å; L56-Q58 PolarHBondContact O-N 3.02Å; L56-A59 PolarHBondContact O-N 2.94Å; L56-L60 PolarHBondContact O-N 3.3Å; L56-F102 HydrophobicContact CB-CE2 4.46Å; L56-F102 HydrophobicContact CB-CZ 3.97Å |
| 57 | S | 76.4 | Confident | 78.3 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.2 | -25.6 | 179 | 65.6 | 0 | 0 | 0 | 0 | 113.4 | H53 Y54 | H53-S57 PolarHBondContact O-N 2.9Å; H53-S57 VanDerWaalsContact O-N 3.09Å; Y54-S57 PolarHBondContact O-N 3.28Å; Y54-S57 PolarHBondContact O-OG 3.26Å |
| 58 | Q | 77.8 | Confident | 78.6 | Confident | 107 Ų | 107 | 56 Ų | 56 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -77.2 | -36.8 | 170.7 | -74.2 | -171.7 | -39.5 | 0 | 0 | 113.1 | Y54 L56 | Y54-Q58 HydrophobicContact CD1-CG 4.1Å; Y54-Q58 HydrophobicContact CD2-CG 4.45Å; Y54-Q58 HydrophobicContact CE1-CG 3.75Å; Y54-Q58 HydrophobicContact CE2-CG 4.08Å; Y54-Q58 HydrophobicContact CG-CG 4.45Å; Y54-Q58 VanDerWaalsContact CZ-CD 3.45Å; Y54-Q58 WeakPolarHBondContact O-CB 3.46Å; Y54-Q58 WeakPolarHBondContact O-CG 3.48Å; Y54-Q58 PolarHBondContact O-N 2.85Å; Y54-Q58 PolarHBondContact OH-NE2 3.25Å; L56-Q58 VanDerWaalsContact C-N 3.3Å; L56-Q58 PolarHBondContact O-N 3.02Å |
| 59 | A | 74.8 | Confident | 79 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.5 | -32 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P9 V13 Q55 L56 | P9-A59 HydrophobicContact CB-CB 4.05Å; P9-A59 WeakPolarHBondContact O-CB 2.92Å; V13-A59 HydrophobicContact CG2-CB 3.63Å; Q55-A59 VanDerWaalsContact O-CB 3.22Å; Q55-A59 WeakPolarHBondContact O-CB 3.18Å; Q55-A59 PolarHBondContact O-N 3.43Å; L56-A59 PolarHBondContact O-N 2.94Å |
| 60 | L | 77.4 | Confident | 79.2 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -118 | 131.4 | -167.7 | -66.8 | 166.3 | 0 | 0 | 0 | 110.6 | V13 L56 L64 M65 F68 | V13-L60 HydrophobicContact CG1-CD1 4.08Å; V13-L60 HydrophobicContact CG1-CD2 4.23Å; V13-L60 HydrophobicContact CG1-CG 4.49Å; V13-L60 HydrophobicContact CG2-CD1 3.7Å; V13-L60 HydrophobicContact CG2-CD2 4.31Å; V13-L60 HydrophobicContact CG2-CG 3.84Å; L56-L60 PolarHBondContact O-N 3.3Å; L60-L64 HydrophobicContact CB-CB 4.3Å; L60-L64 HydrophobicContact CD2-CB 3.88Å; L60-L64 HydrophobicContact CD2-CD1 4.43Å; L60-M65 HydrophobicContact CB-CG 3.59Å; L60-M65 HydrophobicContact CB-SD 3.41Å; L60-M65 WeakPolarHBondContact CB-SD 3.28Å; L60-M65 HydrophobicContact CD1-SD 3.33Å; L60-M65 WeakPolarHBondContact CD1-SD 3.49Å; L60-M65 HydrophobicContact CG-SD 3.98Å; L60-F68 HydrophobicContact CD1-CB 4.02Å; L60-F68 HydrophobicContact CD1-CD1 3.76Å; L60-F68 HydrophobicContact CD1-CD2 4.4Å; L60-F68 HydrophobicContact CD1-CE1 4.32Å; L60-F68 HydrophobicContact CD1-CG 3.8Å |
| 61 | T | 78.5 | Confident | 79.7 | Confident | 86 Ų | 86 | 52.7 Ų | 52.7 | 53% | 0.528 | 25% | 0.254 | S | S | . | . | trans | -64.8 | 160.4 | 169.6 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | F63 L64 M65 | T61-F63 PolarHBondContact O-N 3.25Å; T61-F63 VanDerWaalsContact O-N 3.1Å; T61-L64 CarbonylContact O-C 2.86Å; T61-L64 PolarHBondContact O-N 3.01Å; T61-L64 WeakPolarHBondContact OG1-CG 3.45Å; T61-L64 PolarHBondContact OG1-N 2.96Å; T61-M65 WeakPolarHBondContact O-CB 3.13Å; T61-M65 PolarHBondContact O-N 3.21Å | ||
| 62 | S | 76.6 | Confident | 80.3 | Confident | 81 Ų | 81 | 43.7 Ų | 43.7 | 57% | 0.566 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -57.8 | -31.5 | -179.2 | 78.4 | 0 | 0 | 0 | 0 | 113.1 | D66 I110 | S62-D66 PolarHBondContact O-N 3.47Å; S62-D66 VanDerWaalsContact O-N 3.14Å; S62-I110 WeakPolarHBondContact O-CD1 3.49Å |
| 63 | F | 76.9 | Confident | 81 | Confident | 133 Ų | 133 | 38.1 Ų | 38.1 | 58% | 0.583 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -68.7 | -49.2 | 175.1 | -176.2 | -94.3 | 0 | 0 | 0 | 111.3 | T61 M65 D66 D67 | T61-F63 PolarHBondContact O-N 3.25Å; T61-F63 VanDerWaalsContact O-N 3.1Å; F63-M65 VanDerWaalsContact C-N 3.26Å; F63-M65 PolarHBondContact O-N 3.32Å; F63-D66 PolarHBondContact O-N 3.28Å; F63-D66 VanDerWaalsContact O-N 3.16Å; F63-D67 PolarHBondContact O-N 3.44Å; F63-D67 VanDerWaalsContact O-N 3.15Å |
| 64 | L | 81.3 | Confident | 81.5 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 25% | 0.246 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.5 | -30.2 | 176.2 | -69 | 173.7 | 0 | 0 | 0 | 112.3 | L60 T61 D67 F68 | L60-L64 HydrophobicContact CB-CB 4.3Å; L60-L64 HydrophobicContact CD2-CB 3.88Å; L60-L64 HydrophobicContact CD2-CD1 4.43Å; T61-L64 CarbonylContact O-C 2.86Å; T61-L64 PolarHBondContact O-N 3.01Å; T61-L64 WeakPolarHBondContact OG1-CG 3.45Å; T61-L64 PolarHBondContact OG1-N 2.96Å; L64-D67 PolarHBondContact O-N 3.3Å; L64-F68 WeakPolarHBondContact O-CB 3.37Å; L64-F68 PolarHBondContact O-N 3.38Å |
| 65 | M | 84.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -38.1 | 172.8 | -82.7 | -54.1 | -49.5 | 0 | 0 | 112.3 | L60 T61 F63 F68 S69 F102 L103 I110 | L60-M65 HydrophobicContact CB-CG 3.59Å; L60-M65 HydrophobicContact CB-SD 3.41Å; L60-M65 WeakPolarHBondContact CB-SD 3.28Å; L60-M65 HydrophobicContact CD1-SD 3.33Å; L60-M65 WeakPolarHBondContact CD1-SD 3.49Å; L60-M65 HydrophobicContact CG-SD 3.98Å; T61-M65 WeakPolarHBondContact O-CB 3.13Å; T61-M65 PolarHBondContact O-N 3.21Å; F63-M65 VanDerWaalsContact C-N 3.26Å; F63-M65 PolarHBondContact O-N 3.32Å; M65-F68 HydrophobicContact CE-CD1 4.28Å; M65-S69 VanDerWaalsContact O-CB 3.23Å; M65-S69 WeakPolarHBondContact O-CB 3.5Å; M65-S69 PolarHBondContact O-N 3.15Å; M65-S69 PolarHBondContact O-OG 2.59Å; M65-F102 HydrophobicContact CE-CE1 3.39Å; M65-F102 HydrophobicContact CE-CZ 3.47Å; M65-F102 VanDerWaalsContact CE-CZ 3.47Å; M65-F102 HydrophobicContact SD-CZ 4.36Å; M65-L103 HydrophobicContact CE-CD2 4.09Å; M65-I110 HydrophobicContact CB-CD1 3.86Å |
| 66 | D | 83.2 | Confident | 82.8 | Confident | 26 Ų | 26 | 30.8 Ų | 30.8 | 14% | 0.139 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.8 | -43.3 | 175.1 | -167.8 | 31.2 | 0 | 0 | 0 | 110.6 | S62 F63 S69 T70 I110 K113 K114 | S62-D66 PolarHBondContact O-N 3.47Å; S62-D66 VanDerWaalsContact O-N 3.14Å; F63-D66 PolarHBondContact O-N 3.28Å; F63-D66 VanDerWaalsContact O-N 3.16Å; D66-S69 PolarHBondContact O-OG 2.89Å; D66-S69 VanDerWaalsContact O-OG 3.05Å; D66-T70 WeakPolarHBondContact O-CB 3.37Å; D66-T70 PolarHBondContact O-N 3.44Å; D66-T70 PolarHBondContact O-OG1 3.2Å; D66-I110 HydrophobicContact CB-CD1 4.36Å; D66-I110 HydrophobicContact CB-CG1 4.44Å; D66-K113 IonicContact OD1-NZ 2.85Å; D66-K113 IonicContact OD2-NZ 3.51Å; D66-K113 PolarHBondContact OD2-NZ 2.96Å; D66-K114 PolarHBondContact O-NZ 2.94Å; D66-K114 WeakPolarHBondContact OD1-CE 3.18Å; D66-K114 IonicContact OD1-NZ 2.72Å; D66-K114 PolarHBondContact OD1-NZ 3.43Å |
| 67 | D | 83.3 | Confident | 83.3 | Confident | 34 Ų | 34 | 30.9 Ų | 30.9 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.8 | -47.7 | 176.1 | -76.7 | -6.9 | 0 | 0 | 0 | 111.6 | F63 L64 T70 W71 F166 | F63-D67 PolarHBondContact O-N 3.44Å; F63-D67 VanDerWaalsContact O-N 3.15Å; L64-D67 PolarHBondContact O-N 3.3Å; D67-T70 WeakPolarHBondContact O-CB 3.43Å; D67-T70 PolarHBondContact O-N 3.42Å; D67-W71 WeakPolarHBondContact O-CB 3.46Å; D67-W71 PolarHBondContact O-N 2.65Å; D67-F166 HydrophobicContact CB-CD2 4Å |
| 68 | F | 86.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 179.4 | 177 | -107.2 | 0 | 0 | 0 | 112.3 | V13 I16 F49 L60 L64 M65 W71 C72 F166 | V13-F68 HydrophobicContact CG1-CD2 4.18Å; V13-F68 HydrophobicContact CG1-CE2 3.92Å; V13-F68 HydrophobicContact CG1-CZ 4.45Å; I16-F68 HydrophobicContact CB-CZ 4.13Å; I16-F68 HydrophobicContact CD1-CZ 4.31Å; I16-F68 HydrophobicContact CG2-CE2 4.36Å; I16-F68 HydrophobicContact CG2-CZ 3.79Å; F49-F68 HydrophobicContact CE1-CE1 4.49Å; L60-F68 HydrophobicContact CD1-CB 4.02Å; L60-F68 HydrophobicContact CD1-CD1 3.76Å; L60-F68 HydrophobicContact CD1-CD2 4.4Å; L60-F68 HydrophobicContact CD1-CE1 4.32Å; L60-F68 HydrophobicContact CD1-CG 3.8Å; L64-F68 WeakPolarHBondContact O-CB 3.37Å; L64-F68 PolarHBondContact O-N 3.38Å; M65-F68 HydrophobicContact CE-CD1 4.28Å; F68-W71 PolarHBondContact O-N 3.24Å; F68-C72 VanDerWaalsContact CZ-SG 3.5Å; F68-C72 WeakPolarHBondContact O-CB 3.21Å; F68-C72 PolarHBondContact O-N 3.45Å; F68-C72 PolarHBondContact O-SG 3.48Å; F68-F166 HydrophobicContact CB-CD2 4.4Å; F68-F166 HydrophobicContact CB-CE2 4.02Å; F68-F166 HydrophobicContact CB-CZ 4.16Å; F68-F166 HydrophobicContact CD2-CD1 4.39Å; F68-F166 AromaticContact CD2-CE1 3.72Å; F68-F166 HydrophobicContact CD2-CE1 3.72Å; F68-F166 HydrophobicContact CD2-CE2 4.42Å; F68-F166 AromaticContact CD2-CZ 3.73Å; F68-F166 HydrophobicContact CD2-CZ 3.73Å; F68-F166 HydrophobicContact CE2-CE1 4.46Å; F68-F166 HydrophobicContact CG-CZ 4.4Å |
| 69 | S | 88.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 177.2 | 57 | 0 | 0 | 0 | 0 | 112.1 | M65 D66 W71 C72 I73 K114 | M65-S69 VanDerWaalsContact O-CB 3.23Å; M65-S69 WeakPolarHBondContact O-CB 3.5Å; M65-S69 PolarHBondContact O-N 3.15Å; M65-S69 PolarHBondContact O-OG 2.59Å; D66-S69 PolarHBondContact O-OG 2.89Å; D66-S69 VanDerWaalsContact O-OG 3.05Å; S69-W71 VanDerWaalsContact C-N 3.34Å; S69-C72 PolarHBondContact O-N 3.01Å; S69-I73 VanDerWaalsContact O-CG1 3.26Å; S69-I73 WeakPolarHBondContact O-CG1 3.18Å; S69-I73 PolarHBondContact O-N 3.03Å; S69-K114 WeakPolarHBondContact OG-CE 3.29Å |
| 70 | T | 87.7 | Confident | 84.2 | Confident | 12 Ų | 12 | 25.1 Ų | 25.1 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.4 | -49.2 | 171.6 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | D66 D67 C72 I73 Y74 K114 P147 | D66-T70 WeakPolarHBondContact O-CB 3.37Å; D66-T70 PolarHBondContact O-N 3.44Å; D66-T70 PolarHBondContact O-OG1 3.2Å; D67-T70 WeakPolarHBondContact O-CB 3.43Å; D67-T70 PolarHBondContact O-N 3.42Å; T70-C72 PolarHBondContact O-N 2.93Å; T70-I73 PolarHBondContact O-N 3.43Å; T70-Y74 HydrophobicContact CG2-CD2 3.97Å; T70-Y74 HydrophobicContact CG2-CE2 3.98Å; T70-Y74 VanDerWaalsContact O-CD2 3.28Å; T70-Y74 WeakPolarHBondContact O-CD2 3.41Å; T70-Y74 PolarHBondContact O-N 2.98Å; T70-K114 WeakPolarHBondContact OG1-CE 3.45Å; T70-K114 PolarHBondContact OG1-NZ 3.49Å; T70-P147 HydrophobicContact CG2-CG 3.61Å |
| 71 | W | 88.3 | Confident | 84.4 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.011 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | -178.3 | 179.9 | 86.6 | 0 | 0 | 0 | 112 | Y17 L20 D21 D67 F68 S69 I73 Y74 R75 F166 | Y17-W71 HydrophobicContact CD2-CD2 4.44Å; Y17-W71 HydrophobicContact CD2-CE3 4.36Å; Y17-W71 AromaticContact CD2-CH2 3.5Å; Y17-W71 HydrophobicContact CD2-CH2 3.5Å; Y17-W71 AromaticContact CD2-CZ2 3.56Å; Y17-W71 HydrophobicContact CD2-CZ2 3.56Å; Y17-W71 AromaticContact CD2-CZ3 3.92Å; Y17-W71 HydrophobicContact CD2-CZ3 3.92Å; Y17-W71 AromaticContact CE2-CE2 3.86Å; Y17-W71 HydrophobicContact CE2-CH2 4.01Å; Y17-W71 AromaticContact CE2-CZ2 3.55Å; Y17-W71 HydrophobicContact CE2-CZ2 3.55Å; Y17-W71 HydrophobicContact CG-CH2 4.1Å; Y17-W71 HydrophobicContact CG-CZ2 4.44Å; Y17-W71 WeakPolarHBondContact O-CH2 3.3Å; L20-W71 HydrophobicContact CB-CH2 3.78Å; L20-W71 HydrophobicContact CB-CZ3 3.93Å; L20-W71 HydrophobicContact CD1-CZ3 4.13Å; D21-W71 HydrophobicContact CB-CH2 4.11Å; D21-W71 HydrophobicContact CB-CZ2 3.88Å; D67-W71 WeakPolarHBondContact O-CB 3.46Å; D67-W71 PolarHBondContact O-N 2.65Å; F68-W71 PolarHBondContact O-N 3.24Å; S69-W71 VanDerWaalsContact C-N 3.34Å; W71-I73 PolarHBondContact O-N 3.44Å; W71-Y74 PolarHBondContact O-N 3.41Å; W71-R75 HydrophobicContact CD2-CG 4.06Å; W71-R75 HydrophobicContact CE3-CG 4.44Å; W71-R75 HydrophobicContact CH2-CG 4.08Å; W71-R75 HydrophobicContact CZ2-CG 3.69Å; W71-R75 HydrophobicContact CZ3-CG 4.45Å; W71-R75 WeakPolarHBondContact O-CG 3.12Å; W71-R75 PolarHBondContact O-N 2.98Å; W71-F166 HydrophobicContact CB-CB 3.87Å; W71-F166 HydrophobicContact CB-CD1 4.36Å; W71-F166 HydrophobicContact CB-CG 4.34Å; W71-F166 HydrophobicContact CD2-CD1 4.19Å; W71-F166 HydrophobicContact CG-CB 4.01Å; W71-F166 HydrophobicContact CG-CD1 4.1Å; W71-F166 HydrophobicContact CG-CG 4.43Å |
| 72 | C | 89.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 175 | -69.3 | 0 | 0 | 0 | 0 | 111.4 | L20 F68 S69 T70 Y74 R75 L76 L99 | L20-C72 HydrophobicContact CD1-CB 4.26Å; F68-C72 VanDerWaalsContact CZ-SG 3.5Å; F68-C72 WeakPolarHBondContact O-CB 3.21Å; F68-C72 PolarHBondContact O-N 3.45Å; F68-C72 PolarHBondContact O-SG 3.48Å; S69-C72 PolarHBondContact O-N 3.01Å; T70-C72 PolarHBondContact O-N 2.93Å; C72-Y74 PolarHBondContact O-N 3.38Å; C72-R75 PolarHBondContact O-N 3.06Å; C72-L76 WeakPolarHBondContact O-CB 3.49Å; C72-L76 WeakPolarHBondContact O-CG 3.46Å; C72-L76 PolarHBondContact O-N 3.23Å; C72-L99 HydrophobicContact CB-CD2 3.95Å |
| 73 | I | 89.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 179.1 | -70.1 | 167 | 0 | 0 | 0 | 110.8 | S69 T70 W71 L76 I77 L99 K114 L118 | S69-I73 VanDerWaalsContact O-CG1 3.26Å; S69-I73 WeakPolarHBondContact O-CG1 3.18Å; S69-I73 PolarHBondContact O-N 3.03Å; T70-I73 PolarHBondContact O-N 3.43Å; W71-I73 PolarHBondContact O-N 3.44Å; I73-L76 PolarHBondContact O-N 3.31Å; I73-I77 HydrophobicContact CG2-CD1 3.73Å; I73-I77 HydrophobicContact CG2-CG1 4.43Å; I73-I77 WeakPolarHBondContact O-CB 3.49Å; I73-I77 VanDerWaalsContact O-CG1 3.24Å; I73-I77 WeakPolarHBondContact O-CG1 3.24Å; I73-I77 PolarHBondContact O-N 2.9Å; I73-L99 HydrophobicContact CD1-CD2 4.38Å; I73-L99 HydrophobicContact CG1-CD2 3.79Å; I73-K114 HydrophobicContact CD1-CB 3.96Å; I73-K114 HydrophobicContact CD1-CD 3.96Å; I73-K114 HydrophobicContact CD1-CG 3.92Å; I73-L118 HydrophobicContact CG2-CD2 3.9Å |
| 74 | Y | 88.2 | Confident | 82.9 | Confident | 6 Ų | 6 | 17.8 Ų | 17.8 | 2% | 0.024 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 179.8 | -86.9 | -113.4 | 0 | 0 | 0 | 111.9 | T70 W71 C72 I77 V78 H117 L144 R145 C168 I171 | T70-Y74 HydrophobicContact CG2-CD2 3.97Å; T70-Y74 HydrophobicContact CG2-CE2 3.98Å; T70-Y74 VanDerWaalsContact O-CD2 3.28Å; T70-Y74 WeakPolarHBondContact O-CD2 3.41Å; T70-Y74 PolarHBondContact O-N 2.98Å; W71-Y74 PolarHBondContact O-N 3.41Å; C72-Y74 PolarHBondContact O-N 3.38Å; Y74-I77 PolarHBondContact O-N 3.35Å; Y74-V78 WeakPolarHBondContact O-CG2 3.26Å; Y74-V78 PolarHBondContact O-N 3.25Å; Y74-H117 AromaticContact CE2-NE2 3.69Å; Y74-H117 PolarHBondContact OH-NE2 3.16Å; Y74-L144 HydrophobicContact CD1-CD2 4.35Å; Y74-L144 HydrophobicContact CE1-CD2 3.74Å; Y74-L144 HydrophobicContact CE1-CG 3.89Å; Y74-R145 PolarHBondContact OH-O 3.46Å; Y74-R145 VanDerWaalsContact OH-O 3.13Å; Y74-C168 HydrophobicContact CD1-CB 4.25Å; Y74-C168 HydrophobicContact CG-CB 4.38Å; Y74-I171 HydrophobicContact CD1-CD1 3.84Å; Y74-I171 HydrophobicContact CD1-CG1 4.19Å; Y74-I171 HydrophobicContact CG-CD1 4.4Å; Y74-I171 WeakPolarHBondContact O-CD1 3.1Å |
| 75 | R | 86.5 | Confident | 81.8 | Confident | 51 Ų | 51 | 19.3 Ų | 19.3 | 19% | 0.192 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 175.6 | -70.8 | -49.6 | -160.5 | -173.5 | 1.2 | 111.9 | L20 D21 A24 W71 C72 I77 V78 I79 | L20-R75 HydrophobicContact CB-CB 4.41Å; D21-R75 IonicContact OD1-CZ 3.48Å; D21-R75 IonicContact OD1-NE 2.69Å; D21-R75 PolarHBondContact OD1-NE 3.44Å; D21-R75 IonicContact OD1-NH2 4Å; D21-R75 PolarHBondContact OD1-NH2 3.19Å; A24-R75 HydrophobicContact CB-CB 4.31Å; A24-R75 HydrophobicContact CB-CG 4.38Å; W71-R75 HydrophobicContact CD2-CG 4.06Å; W71-R75 HydrophobicContact CE3-CG 4.44Å; W71-R75 HydrophobicContact CH2-CG 4.08Å; W71-R75 HydrophobicContact CZ2-CG 3.69Å; W71-R75 HydrophobicContact CZ3-CG 4.45Å; W71-R75 WeakPolarHBondContact O-CG 3.12Å; W71-R75 PolarHBondContact O-N 2.98Å; C72-R75 PolarHBondContact O-N 3.06Å; R75-I77 VanDerWaalsContact C-N 3.31Å; R75-I77 PolarHBondContact O-N 2.98Å; R75-V78 PolarHBondContact O-N 3.06Å; R75-I79 WeakPolarHBondContact O-CG1 3.18Å; R75-I79 PolarHBondContact O-N 2.94Å |
| 76 | L | 88 | Confident | 80.7 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | 175.5 | -70.4 | 170.3 | 0 | 0 | 0 | 111.8 | L20 C72 I73 I79 A80 V92 L95 I96 | L20-L76 HydrophobicContact CD2-CD2 3.83Å; L20-L76 HydrophobicContact CD2-CG 4.48Å; C72-L76 WeakPolarHBondContact O-CB 3.49Å; C72-L76 WeakPolarHBondContact O-CG 3.46Å; C72-L76 PolarHBondContact O-N 3.23Å; I73-L76 PolarHBondContact O-N 3.31Å; L76-I79 PolarHBondContact O-N 3.39Å; L76-A80 VanDerWaalsContact O-CB 3.24Å; L76-A80 WeakPolarHBondContact O-CB 3.38Å; L76-A80 PolarHBondContact O-N 2.97Å; L76-V92 HydrophobicContact CB-CG1 4.04Å; L76-V92 HydrophobicContact CD2-CG1 4.25Å; L76-V92 WeakPolarHBondContact O-CG1 3.4Å; L76-L95 HydrophobicContact CD1-CB 4.16Å; L76-L95 HydrophobicContact CD2-CB 4.11Å; L76-L95 HydrophobicContact CD2-CD1 3.92Å; L76-I96 HydrophobicContact CB-CD1 4.21Å; L76-I96 HydrophobicContact CB-CG1 4.03Å; L76-I96 HydrophobicContact CD1-CG1 3.7Å; L76-I96 HydrophobicContact CG-CG1 4.47Å |
| 77 | I | 87.1 | Confident | 79.8 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 173.1 | -71.1 | 167.8 | 0 | 0 | 0 | 111.5 | I73 Y74 R75 A80 C81 L144 I171 L182 | I73-I77 HydrophobicContact CG2-CD1 3.73Å; I73-I77 HydrophobicContact CG2-CG1 4.43Å; I73-I77 WeakPolarHBondContact O-CB 3.49Å; I73-I77 VanDerWaalsContact O-CG1 3.24Å; I73-I77 WeakPolarHBondContact O-CG1 3.24Å; I73-I77 PolarHBondContact O-N 2.9Å; Y74-I77 PolarHBondContact O-N 3.35Å; R75-I77 VanDerWaalsContact C-N 3.31Å; R75-I77 PolarHBondContact O-N 2.98Å; I77-A80 WeakPolarHBondContact O-CB 3.24Å; I77-A80 PolarHBondContact O-N 3.23Å; I77-C81 PolarHBondContact O-N 3.48Å; I77-C81 VanDerWaalsContact O-N 3.08Å; I77-C81 PolarHBondContact O-SG 3.27Å; I77-L144 HydrophobicContact CD1-CD2 4.27Å; I77-I171 HydrophobicContact CB-CD1 4.05Å; I77-I171 HydrophobicContact CG2-CD1 3.66Å; I77-L182 HydrophobicContact CG1-CD1 4.21Å; I77-L182 HydrophobicContact CG2-CD1 3.82Å; I77-L182 HydrophobicContact CG2-CD2 4.33Å |
| 78 | V | 83.9 | Confident | 79.2 | Confident | 26 Ų | 26 | 29 Ų | 29 | 16% | 0.158 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 174.3 | 174.7 | 0 | 0 | 0 | 0 | 111 | Y74 R75 A80 C81 R82 I171 | Y74-V78 WeakPolarHBondContact O-CG2 3.26Å; Y74-V78 PolarHBondContact O-N 3.25Å; R75-V78 PolarHBondContact O-N 3.06Å; V78-A80 PolarHBondContact O-N 2.97Å; V78-C81 PolarHBondContact O-N 3.39Å; V78-R82 HydrophobicContact CG1-CG 4.37Å; V78-R82 PolarHBondContact O-N 3.25Å; V78-I171 HydrophobicContact CG2-CD1 3.57Å; V78-I171 HydrophobicContact CG2-CG1 3.81Å; V78-I171 HydrophobicContact CG2-CG2 4.38Å |
| 79 | I | 82 | Confident | 78.5 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -28.3 | 178.6 | -64 | 167.7 | 0 | 0 | 0 | 111.4 | L20 I23 A24 V27 R75 L76 P83 V92 | L20-I79 HydrophobicContact CD2-CD1 4.13Å; I23-I79 HydrophobicContact CB-CD1 4.05Å; I23-I79 HydrophobicContact CG2-CD1 3.68Å; I23-I79 HydrophobicContact CG2-CG1 3.85Å; I23-I79 HydrophobicContact CG2-CG2 4.11Å; A24-I79 HydrophobicContact CB-CD1 4.28Å; A24-I79 HydrophobicContact CB-CG1 4.04Å; V27-I79 HydrophobicContact CG2-CG1 4.35Å; R75-I79 WeakPolarHBondContact O-CG1 3.18Å; R75-I79 PolarHBondContact O-N 2.94Å; L76-I79 PolarHBondContact O-N 3.39Å; I79-P83 WeakPolarHBondContact O-CD 3.43Å; I79-P83 WeakPolarHBondContact O-CG 3.5Å; I79-V92 HydrophobicContact CG2-CG2 3.91Å |
| 80 | A | 81.6 | Confident | 78 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -76.1 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L76 I77 V78 P83 L89 V92 I185 | L76-A80 VanDerWaalsContact O-CB 3.24Å; L76-A80 WeakPolarHBondContact O-CB 3.38Å; L76-A80 PolarHBondContact O-N 2.97Å; I77-A80 WeakPolarHBondContact O-CB 3.24Å; I77-A80 PolarHBondContact O-N 3.23Å; V78-A80 PolarHBondContact O-N 2.97Å; A80-P83 VanDerWaalsContact O-CD 3.3Å; A80-P83 WeakPolarHBondContact O-CD 3.37Å; A80-L89 WeakPolarHBondContact O-CD2 3.4Å; A80-V92 HydrophobicContact CB-CG1 4.11Å; A80-I185 HydrophobicContact CB-CD1 3.07Å; A80-I185 HydrophobicContact CB-CG1 4.48Å |
| 81 | C | 80.4 | Confident | 77.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -78.1 | -38.5 | -172.5 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | I77 V78 P83 L173 E178 R181 | I77-C81 PolarHBondContact O-N 3.48Å; I77-C81 VanDerWaalsContact O-N 3.08Å; I77-C81 PolarHBondContact O-SG 3.27Å; V78-C81 PolarHBondContact O-N 3.39Å; C81-P83 VanDerWaalsContact C-CD 3.43Å; C81-L173 HydrophobicContact CB-CD2 3.84Å; C81-E178 HydrophobicContact CB-CB 4.36Å; C81-R181 PolarHBondContact O-NH1 3.43Å |
| 82 | R | 76.1 | Confident | 77.5 | Confident | 81 Ų | 81 | 33.8 Ų | 33.8 | 31% | 0.306 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -87.8 | -17.4 | -169.2 | -62.3 | -67.6 | -169.9 | -160.6 | -2.7 | 118.7 | V27 D28 V78 E172 E178 | V27-R82 HydrophobicContact CB-CB 4.13Å; V27-R82 HydrophobicContact CG1-CB 3.41Å; V27-R82 VanDerWaalsContact CG1-CB 3.41Å; D28-R82 IonicContact OD1-NE 3.7Å; V78-R82 HydrophobicContact CG1-CG 4.37Å; V78-R82 PolarHBondContact O-N 3.25Å; R82-E172 PolarHBondContact NH2-O 3.2Å; R82-E178 IonicContact CZ-OE1 3.64Å; R82-E178 IonicContact NH1-OE1 2.72Å; R82-E178 PolarHBondContact NH1-OE1 3.3Å; R82-E178 IonicContact NH1-OE2 3.73Å |
| 83 | P | 63.7 | Low | 77.3 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 8% | 0.078 | 16% | 0.16 | C | C | . | . | trans | -83.2 | 152.9 | -169.3 | 34.9 | -34.7 | 0 | 0 | 0 | 111.8 | I79 A80 C81 F85 R181 | I79-P83 WeakPolarHBondContact O-CD 3.43Å; I79-P83 WeakPolarHBondContact O-CG 3.5Å; A80-P83 VanDerWaalsContact O-CD 3.3Å; A80-P83 WeakPolarHBondContact O-CD 3.37Å; C81-P83 VanDerWaalsContact C-CD 3.43Å; P83-F85 PolarHBondContact O-N 3.49Å; P83-R181 PolarHBondContact O-NH1 3.29Å; P83-R181 PolarHBondContact O-NH2 3.07Å; P83-R181 VanDerWaalsContact O-NH2 3.15Å | ||
| 84 | P | 61.6 | Low | 77 | Confident | 61 Ų | 61 | 35.1 Ų | 35.1 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -72.4 | -21.5 | 179 | 21.7 | -27.6 | 0 | 0 | 0 | 114.5 | ||
| 85 | F | 57.8 | Low | 77 | Confident | 79 Ų | 79 | 34.9 Ų | 34.9 | 35% | 0.346 | 17% | 0.167 | S | C | . | . | trans | -110.5 | 133.8 | -168.5 | -51.3 | -69 | 0 | 0 | 0 | 114.5 | Q34 P83 Y87 | Q34-F85 HydrophobicContact CG-CE2 4.42Å; Q34-F85 HydrophobicContact CG-CZ 3.91Å; P83-F85 PolarHBondContact O-N 3.49Å; F85-Y87 VanDerWaalsContact C-N 3.32Å; F85-Y87 PolarHBondContact O-N 3.42Å | ||
| 86 | T | 61.1 | Low | 77.1 | Confident | 73 Ų | 73 | 32.5 Ų | 32.5 | 45% | 0.448 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -27.7 | 179.7 | 47 | 0 | 0 | 0 | 0 | 113.9 | H88 L89 | T86-H88 PolarHBondContact O-N 2.95Å; T86-L89 HydrophobicContact CG2-CD1 4.3Å; T86-L89 VanDerWaalsContact O-CB 3.25Å; T86-L89 WeakPolarHBondContact O-CB 3.32Å; T86-L89 WeakPolarHBondContact O-CG 3.27Å; T86-L89 PolarHBondContact O-N 3.24Å |
| 87 | Y | 64.1 | Low | 77.1 | Confident | 165 Ų | 165 | 36.1 Ų | 36.1 | 65% | 0.647 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -62.1 | -28.3 | -177.9 | -138.5 | -88.9 | 0 | 0 | 0 | 113.3 | F85 L89 | F85-Y87 VanDerWaalsContact C-N 3.32Å; F85-Y87 PolarHBondContact O-N 3.42Å; Y87-L89 VanDerWaalsContact C-N 3.3Å; Y87-L89 PolarHBondContact O-N 2.99Å |
| 88 | H | 70.1 | Confident | 77.1 | Confident | 27 Ų | 27 | 36.1 Ų | 36.1 | 13% | 0.125 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.2 | -25.3 | 175.9 | -68.1 | -61.8 | 0 | 0 | 0 | 113.1 | T86 Q90 V91 V92 | T86-H88 PolarHBondContact O-N 2.95Å; H88-Q90 VanDerWaalsContact C-N 3.32Å; H88-Q90 PolarHBondContact O-N 3.23Å; H88-V91 PolarHBondContact O-N 3.16Å; H88-V92 WeakPolarHBondContact O-CB 3.27Å; H88-V92 VanDerWaalsContact O-CG2 3.29Å; H88-V92 WeakPolarHBondContact O-CG2 3.3Å; H88-V92 PolarHBondContact O-N 3.24Å |
| 89 | L | 73.9 | Confident | 77.3 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62 | -41 | -176.5 | -58.9 | 170.8 | 0 | 0 | 0 | 111.2 | A80 T86 Y87 G93 R181 I185 | A80-L89 WeakPolarHBondContact O-CD2 3.4Å; T86-L89 HydrophobicContact CG2-CD1 4.3Å; T86-L89 VanDerWaalsContact O-CB 3.25Å; T86-L89 WeakPolarHBondContact O-CB 3.32Å; T86-L89 WeakPolarHBondContact O-CG 3.27Å; T86-L89 PolarHBondContact O-N 3.24Å; Y87-L89 VanDerWaalsContact C-N 3.3Å; Y87-L89 PolarHBondContact O-N 2.99Å; L89-G93 PolarHBondContact O-N 2.96Å; L89-R181 HydrophobicContact CD1-CG 4.42Å; L89-R181 HydrophobicContact CD2-CB 4.06Å; L89-R181 HydrophobicContact CD2-CG 4.28Å; L89-I185 HydrophobicContact CB-CD1 4.12Å; L89-I185 HydrophobicContact CB-CG1 3.95Å; L89-I185 HydrophobicContact CD2-CD1 3.58Å; L89-I185 HydrophobicContact CD2-CG1 3.94Å; L89-I185 HydrophobicContact CG-CD1 4.46Å |
| 90 | Q | 77.2 | Confident | 77.7 | Confident | 86 Ų | 86 | 34.5 Ų | 34.5 | 40% | 0.402 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.2 | -47.4 | 178.6 | -68.1 | -174.6 | 1.2 | 0 | 0 | 111.6 | H88 V92 G93 D94 | H88-Q90 VanDerWaalsContact C-N 3.32Å; H88-Q90 PolarHBondContact O-N 3.23Å; Q90-V92 VanDerWaalsContact C-N 3.32Å; Q90-V92 PolarHBondContact O-N 2.94Å; Q90-G93 CarbonylContact O-C 3.37Å; Q90-G93 WeakPolarHBondContact O-CA 3.33Å; Q90-G93 PolarHBondContact O-N 3.2Å; Q90-G93 VanDerWaalsContact O-N 3.1Å; Q90-D94 PolarHBondContact O-N 3.26Å |
| 91 | V | 81 | Confident | 77.9 | Confident | 21 Ų | 21 | 37.7 Ų | 37.7 | 13% | 0.127 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -41 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | L39 L42 H88 G93 D94 L95 | L39-V91 HydrophobicContact CD1-CG2 3.94Å; L39-V91 HydrophobicContact CG-CG2 4.41Å; L42-V91 HydrophobicContact CB-CG1 3.76Å; L42-V91 HydrophobicContact CD1-CG1 4.38Å; H88-V91 PolarHBondContact O-N 3.16Å; V91-G93 VanDerWaalsContact C-N 3.35Å; V91-D94 PolarHBondContact O-N 3.03Å; V91-L95 HydrophobicContact CG1-CD1 4.31Å; V91-L95 WeakPolarHBondContact O-CB 3.37Å; V91-L95 WeakPolarHBondContact O-CG 3.25Å; V91-L95 PolarHBondContact O-N 3.38Å |
| 92 | V | 84.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | 175.4 | 173 | 0 | 0 | 0 | 0 | 111 | L76 I79 A80 H88 Q90 D94 L95 I96 I185 | L76-V92 HydrophobicContact CB-CG1 4.04Å; L76-V92 HydrophobicContact CD2-CG1 4.25Å; L76-V92 WeakPolarHBondContact O-CG1 3.4Å; I79-V92 HydrophobicContact CG2-CG2 3.91Å; A80-V92 HydrophobicContact CB-CG1 4.11Å; H88-V92 WeakPolarHBondContact O-CB 3.27Å; H88-V92 VanDerWaalsContact O-CG2 3.29Å; H88-V92 WeakPolarHBondContact O-CG2 3.3Å; H88-V92 PolarHBondContact O-N 3.24Å; Q90-V92 VanDerWaalsContact C-N 3.32Å; Q90-V92 PolarHBondContact O-N 2.94Å; V92-D94 PolarHBondContact O-N 3.43Å; V92-L95 WeakPolarHBondContact O-CB 3.3Å; V92-L95 PolarHBondContact O-N 2.64Å; V92-I96 HydrophobicContact CG1-CD1 4.21Å; V92-I96 WeakPolarHBondContact O-CG1 3.33Å; V92-I96 PolarHBondContact O-N 3.43Å; V92-I185 HydrophobicContact CB-CD1 4.35Å; V92-I185 HydrophobicContact CG1-CD1 4.16Å |
| 93 | G | 84.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L89 Q90 V91 L95 I96 R97 T189 | L89-G93 PolarHBondContact O-N 2.96Å; Q90-G93 CarbonylContact O-C 3.37Å; Q90-G93 WeakPolarHBondContact O-CA 3.33Å; Q90-G93 PolarHBondContact O-N 3.2Å; Q90-G93 VanDerWaalsContact O-N 3.1Å; V91-G93 VanDerWaalsContact C-N 3.35Å; G93-L95 VanDerWaalsContact C-N 3.32Å; G93-L95 PolarHBondContact O-N 3.01Å; G93-I96 PolarHBondContact O-N 3.35Å; G93-R97 WeakPolarHBondContact O-CB 3.48Å; G93-R97 PolarHBondContact O-N 2.79Å; G93-T189 WeakPolarHBondContact O-CG2 3.19Å |
| 94 | D | 84.3 | Confident | 79.8 | Confident | 29 Ų | 29 | 35.5 Ų | 35.5 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -35 | 177.2 | -84 | -41.2 | 0 | 0 | 0 | 113.3 | Q90 V91 V92 R97 S98 Y188 | Q90-D94 PolarHBondContact O-N 3.26Å; V91-D94 PolarHBondContact O-N 3.03Å; V92-D94 PolarHBondContact O-N 3.43Å; D94-R97 PolarHBondContact O-N 3.42Å; D94-R97 IonicContact OD1-CZ 3.04Å; D94-R97 VanDerWaalsContact OD1-CZ 3.31Å; D94-R97 IonicContact OD1-NE 3.6Å; D94-R97 PolarHBondContact OD1-NE 2.59Å; D94-R97 IonicContact OD1-NH2 2.78Å; D94-R97 PolarHBondContact OD1-NH2 3.47Å; D94-S98 VanDerWaalsContact O-CB 3.25Å; D94-S98 WeakPolarHBondContact O-CB 2.91Å; D94-S98 PolarHBondContact O-N 3.28Å; D94-S98 PolarHBondContact O-OG 3.17Å; D94-Y188 PolarHBondContact OD1-OH 2.98Å |
| 95 | L | 87.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -48.4 | 173 | -83.9 | 164.6 | 0 | 0 | 0 | 112 | L42 V45 E46 F49 L76 V91 V92 G93 R97 S98 L99 | L42-L95 HydrophobicContact CB-CD1 3.86Å; L42-L95 HydrophobicContact CD2-CD1 3.66Å; L42-L95 HydrophobicContact CG-CD1 4.26Å; V45-L95 HydrophobicContact CB-CD2 3.79Å; V45-L95 HydrophobicContact CG1-CD2 3.61Å; E46-L95 VanDerWaalsContact CA-CD2 3.49Å; E46-L95 HydrophobicContact CB-CD2 3.67Å; E46-L95 HydrophobicContact CB-CG 4.15Å; E46-L95 HydrophobicContact CG-CD2 4.41Å; F49-L95 HydrophobicContact CD2-CD2 4.04Å; F49-L95 HydrophobicContact CE2-CD2 4.04Å; L76-L95 HydrophobicContact CD1-CB 4.16Å; L76-L95 HydrophobicContact CD2-CB 4.11Å; L76-L95 HydrophobicContact CD2-CD1 3.92Å; V91-L95 HydrophobicContact CG1-CD1 4.31Å; V91-L95 WeakPolarHBondContact O-CB 3.37Å; V91-L95 WeakPolarHBondContact O-CG 3.25Å; V91-L95 PolarHBondContact O-N 3.38Å; V92-L95 WeakPolarHBondContact O-CB 3.3Å; V92-L95 PolarHBondContact O-N 2.64Å; G93-L95 VanDerWaalsContact C-N 3.32Å; G93-L95 PolarHBondContact O-N 3.01Å; L95-R97 VanDerWaalsContact C-N 3.32Å; L95-R97 PolarHBondContact O-N 3.12Å; L95-S98 PolarHBondContact O-N 3.32Å; L95-L99 WeakPolarHBondContact O-CB 3.38Å; L95-L99 PolarHBondContact O-N 2.91Å |
| 96 | I | 89.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 175.8 | -65.6 | 170.7 | 0 | 0 | 0 | 109.5 | L76 V92 G93 S98 L99 M100 L118 I185 T189 | L76-I96 HydrophobicContact CB-CD1 4.21Å; L76-I96 HydrophobicContact CB-CG1 4.03Å; L76-I96 HydrophobicContact CD1-CG1 3.7Å; L76-I96 HydrophobicContact CG-CG1 4.47Å; V92-I96 HydrophobicContact CG1-CD1 4.21Å; V92-I96 WeakPolarHBondContact O-CG1 3.33Å; V92-I96 PolarHBondContact O-N 3.43Å; G93-I96 PolarHBondContact O-N 3.35Å; I96-S98 PolarHBondContact O-N 3.47Å; I96-L99 WeakPolarHBondContact O-CB 3.41Å; I96-L99 PolarHBondContact O-N 3.47Å; I96-M100 HydrophobicContact CG2-CG 4.31Å; I96-M100 WeakPolarHBondContact O-CB 3.37Å; I96-M100 VanDerWaalsContact O-CG 3.23Å; I96-M100 WeakPolarHBondContact O-CG 3.32Å; I96-M100 PolarHBondContact O-N 3.42Å; I96-L118 HydrophobicContact CG2-CD1 4.13Å; I96-I185 HydrophobicContact CD1-CG2 3.98Å; I96-T189 HydrophobicContact CB-CG2 3.74Å; I96-T189 HydrophobicContact CD1-CG2 4.33Å; I96-T189 HydrophobicContact CG2-CG2 3.75Å |
| 97 | R | 87.6 | Confident | 83 | Confident | 76 Ų | 76 | 39 Ų | 39 | 29% | 0.287 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 176.2 | -178.4 | 174.6 | 69.2 | 134.3 | -4.8 | 111.9 | G93 D94 L95 M100 L101 S192 | G93-R97 WeakPolarHBondContact O-CB 3.48Å; G93-R97 PolarHBondContact O-N 2.79Å; D94-R97 PolarHBondContact O-N 3.42Å; D94-R97 IonicContact OD1-CZ 3.04Å; D94-R97 VanDerWaalsContact OD1-CZ 3.31Å; D94-R97 IonicContact OD1-NE 3.6Å; D94-R97 PolarHBondContact OD1-NE 2.59Å; D94-R97 IonicContact OD1-NH2 2.78Å; D94-R97 PolarHBondContact OD1-NH2 3.47Å; L95-R97 VanDerWaalsContact C-N 3.32Å; L95-R97 PolarHBondContact O-N 3.12Å; R97-M100 PolarHBondContact O-N 3.06Å; R97-L101 HydrophobicContact CG-CD1 4.14Å; R97-L101 WeakPolarHBondContact O-CG 3.37Å; R97-L101 PolarHBondContact O-N 2.96Å; R97-S192 VanDerWaalsContact CD-OG 3.26Å; R97-S192 WeakPolarHBondContact CD-OG 3.48Å |
| 98 | S | 87.2 | Confident | 84 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 179.2 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | K50 D94 L95 I96 F102 | K50-S98 WeakPolarHBondContact CE-OG 3.49Å; D94-S98 VanDerWaalsContact O-CB 3.25Å; D94-S98 WeakPolarHBondContact O-CB 2.91Å; D94-S98 PolarHBondContact O-N 3.28Å; D94-S98 PolarHBondContact O-OG 3.17Å; L95-S98 PolarHBondContact O-N 3.32Å; I96-S98 PolarHBondContact O-N 3.47Å; S98-F102 VanDerWaalsContact O-CB 3.26Å; S98-F102 WeakPolarHBondContact O-CB 3.47Å; S98-F102 PolarHBondContact O-N 2.87Å |
| 99 | L | 89.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 172.2 | -179.7 | 74.4 | 0 | 0 | 0 | 111 | F49 C72 I73 L95 I96 F102 L103 | F49-L99 HydrophobicContact CD1-CD1 4.2Å; F49-L99 HydrophobicContact CD2-CB 4.29Å; F49-L99 HydrophobicContact CE1-CD1 3.73Å; F49-L99 HydrophobicContact CE2-CB 4.24Å; F49-L99 HydrophobicContact CE2-CD1 4.32Å; F49-L99 HydrophobicContact CZ-CD1 3.81Å; C72-L99 HydrophobicContact CB-CD2 3.95Å; I73-L99 HydrophobicContact CD1-CD2 4.38Å; I73-L99 HydrophobicContact CG1-CD2 3.79Å; L95-L99 WeakPolarHBondContact O-CB 3.38Å; L95-L99 PolarHBondContact O-N 2.91Å; I96-L99 WeakPolarHBondContact O-CB 3.41Å; I96-L99 PolarHBondContact O-N 3.47Å; L99-F102 HydrophobicContact CD1-CD1 4.03Å; L99-F102 HydrophobicContact CD1-CE1 4.42Å; L99-F102 WeakPolarHBondContact O-CB 3.48Å; L99-F102 PolarHBondContact O-N 3.49Å; L99-L103 HydrophobicContact CG-CD1 4.39Å; L99-L103 VanDerWaalsContact O-CG 3.32Å; L99-L103 WeakPolarHBondContact O-CG 3.5Å; L99-L103 PolarHBondContact O-N 3.21Å |
| 100 | M | 90.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.6 | -45.8 | 179.4 | -72.2 | -58.8 | -74.9 | 0 | 0 | 111.9 | I96 R97 F102 L103 E104 Y111 K114 A115 L118 L193 | I96-M100 HydrophobicContact CG2-CG 4.31Å; I96-M100 WeakPolarHBondContact O-CB 3.37Å; I96-M100 VanDerWaalsContact O-CG 3.23Å; I96-M100 WeakPolarHBondContact O-CG 3.32Å; I96-M100 PolarHBondContact O-N 3.42Å; R97-M100 PolarHBondContact O-N 3.06Å; M100-F102 VanDerWaalsContact C-N 3.29Å; M100-F102 PolarHBondContact O-N 3.04Å; M100-L103 PolarHBondContact O-N 3.43Å; M100-L103 VanDerWaalsContact O-N 3.14Å; M100-L103 HydrophobicContact SD-CD1 4.25Å; M100-E104 PolarHBondContact O-N 2.92Å; M100-Y111 HydrophobicContact CB-CD2 4.43Å; M100-Y111 HydrophobicContact CB-CE2 4.06Å; M100-Y111 HydrophobicContact CE-CD2 3.68Å; M100-Y111 HydrophobicContact CE-CE2 3.5Å; M100-Y111 VanDerWaalsContact CE-CE2 3.5Å; M100-Y111 WeakPolarHBondContact O-CD2 3.3Å; M100-Y111 HydrophobicContact SD-CD2 4.42Å; M100-K114 HydrophobicContact CE-CB 4.1Å; M100-K114 HydrophobicContact SD-CB 3.82Å; M100-A115 VanDerWaalsContact CE-CA 3.47Å; M100-A115 HydrophobicContact CE-CB 3.5Å; M100-L118 HydrophobicContact CE-CD1 4.33Å; M100-L118 HydrophobicContact CG-CD1 4.38Å; M100-L118 HydrophobicContact SD-CD1 4.27Å; M100-L193 HydrophobicContact CB-CD1 4.28Å; M100-L193 HydrophobicContact CB-CD2 3.95Å; M100-L193 HydrophobicContact CE-CD1 3.99Å; M100-L193 HydrophobicContact CG-CD1 4.14Å |
| 101 | L | 86 | Confident | 85.9 | Confident | 68 Ų | 68 | 35.5 Ų | 35.5 | 36% | 0.356 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.1 | -37.1 | 174.1 | -72 | 170.7 | 0 | 0 | 0 | 112.3 | R97 E104 R105 | R97-L101 HydrophobicContact CG-CD1 4.14Å; R97-L101 WeakPolarHBondContact O-CG 3.37Å; R97-L101 PolarHBondContact O-N 2.96Å; L101-E104 PolarHBondContact O-N 3.29Å; L101-R105 WeakPolarHBondContact O-CG 3.33Å; L101-R105 PolarHBondContact O-N 3.3Å; L101-R105 VanDerWaalsContact O-N 3.15Å |
| 102 | F | 86 | Confident | 86.2 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 171.8 | 153.1 | -117.8 | 0 | 0 | 0 | 111.5 | H53 L56 M65 S98 L99 M100 E104 R105 H106 | H53-F102 HydrophobicContact CB-CD2 3.36Å; H53-F102 HydrophobicContact CB-CE2 3.82Å; H53-F102 HydrophobicContact CB-CG 4.18Å; H53-F102 WeakPolarHBondContact O-CE2 3.32Å; L56-F102 HydrophobicContact CB-CE2 4.46Å; L56-F102 HydrophobicContact CB-CZ 3.97Å; M65-F102 HydrophobicContact CE-CE1 3.39Å; M65-F102 HydrophobicContact CE-CZ 3.47Å; M65-F102 VanDerWaalsContact CE-CZ 3.47Å; M65-F102 HydrophobicContact SD-CZ 4.36Å; S98-F102 VanDerWaalsContact O-CB 3.26Å; S98-F102 WeakPolarHBondContact O-CB 3.47Å; S98-F102 PolarHBondContact O-N 2.87Å; L99-F102 HydrophobicContact CD1-CD1 4.03Å; L99-F102 HydrophobicContact CD1-CE1 4.42Å; L99-F102 WeakPolarHBondContact O-CB 3.48Å; L99-F102 PolarHBondContact O-N 3.49Å; M100-F102 VanDerWaalsContact C-N 3.29Å; M100-F102 PolarHBondContact O-N 3.04Å; F102-E104 VanDerWaalsContact C-N 3.34Å; F102-E104 PolarHBondContact O-N 3.45Å; F102-R105 PolarHBondContact O-N 2.99Å; F102-H106 AromaticContact CD2-CD2 3.67Å; F102-H106 HydrophobicContact CE2-CB 4.44Å; F102-H106 AromaticContact CE2-CD2 3.85Å; F102-H106 PolarHBondContact O-CD2 3.31Å; F102-H106 PolarHBondContact O-N 3.46Å |
| 103 | L | 87 | Confident | 86.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | 177.7 | -69.6 | 172.5 | 0 | 0 | 0 | 111.6 | M65 L99 M100 R105 H106 H107 L108 I110 Y111 K114 | M65-L103 HydrophobicContact CE-CD2 4.09Å; L99-L103 HydrophobicContact CG-CD1 4.39Å; L99-L103 VanDerWaalsContact O-CG 3.32Å; L99-L103 WeakPolarHBondContact O-CG 3.5Å; L99-L103 PolarHBondContact O-N 3.21Å; M100-L103 PolarHBondContact O-N 3.43Å; M100-L103 VanDerWaalsContact O-N 3.14Å; M100-L103 HydrophobicContact SD-CD1 4.25Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.19Å; L103-H106 PolarHBondContact O-N 2.85Å; L103-H107 HydrophobicContact CD2-CB 4.48Å; L103-H107 CarbonylContact O-C 3.55Å; L103-H107 VanDerWaalsContact O-CA 3.29Å; L103-H107 WeakPolarHBondContact O-CA 3.45Å; L103-H107 PolarHBondContact O-N 3.3Å; L103-L108 PolarHBondContact O-N 3.32Å; L103-I110 HydrophobicContact CD1-CG2 4.24Å; L103-I110 HydrophobicContact CD2-CB 4.37Å; L103-I110 HydrophobicContact CD2-CG2 3.94Å; L103-Y111 HydrophobicContact CB-CD2 4.27Å; L103-K114 HydrophobicContact CD1-CG 4.08Å |
| 104 | E | 86.1 | Confident | 86.6 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.2 | -43.3 | 176.7 | -170.3 | -173.9 | 172.4 | 0 | 0 | 111.1 | M100 L101 F102 L108 Y111 Y200 | M100-E104 PolarHBondContact O-N 2.92Å; L101-E104 PolarHBondContact O-N 3.29Å; F102-E104 VanDerWaalsContact C-N 3.34Å; F102-E104 PolarHBondContact O-N 3.45Å; E104-L108 HydrophobicContact CG-CD1 4.41Å; E104-Y111 HydrophobicContact CB-CD1 4.29Å; E104-Y111 HydrophobicContact CB-CD2 3.8Å; E104-Y111 HydrophobicContact CB-CE2 4.03Å; E104-Y111 HydrophobicContact CB-CG 3.95Å; E104-Y111 HydrophobicContact CG-CD1 4.26Å; E104-Y111 HydrophobicContact CG-CE1 4.29Å; E104-Y111 HydrophobicContact CG-CG 4.41Å; E104-Y200 HydrophobicContact CG-CE2 4.09Å; E104-Y200 VanDerWaalsContact OE1-CE2 3.27Å; E104-Y200 WeakPolarHBondContact OE1-CE2 3.42Å; E104-Y200 PolarHBondContact OE1-OH 3.43Å; E104-Y200 VanDerWaalsContact OE1-OH 3.11Å |
| 105 | R | 82.1 | Confident | 86.8 | Confident | 174 Ų | 174 | 41.1 Ų | 41.1 | 66% | 0.657 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -69.5 | -38 | -178.1 | -73.7 | 176.3 | 178.1 | -172 | -0 | 114.3 | L101 F102 L103 | L101-R105 WeakPolarHBondContact O-CG 3.33Å; L101-R105 PolarHBondContact O-N 3.3Å; L101-R105 VanDerWaalsContact O-N 3.15Å; F102-R105 PolarHBondContact O-N 2.99Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.19Å |
| 106 | H | 82.5 | Confident | 86.9 | Confident | 68 Ų | 68 | 44.3 Ų | 44.3 | 32% | 0.315 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -112.3 | -29.3 | -170.7 | -64.9 | -80.7 | 0 | 0 | 0 | 114.1 | H53 F102 L103 | H53-H106 AromaticContact CE1-NE2 3.48Å; H53-H106 PolarHBondContact CE1-NE2 3.03Å; H53-H106 AromaticContact CG-NE2 3.69Å; H53-H106 AromaticContact ND1-CE1 3.73Å; H53-H106 AromaticContact ND1-NE2 3.03Å; H53-H106 PolarHBondContact ND1-NE2 3.43Å; F102-H106 AromaticContact CD2-CD2 3.67Å; F102-H106 HydrophobicContact CE2-CB 4.44Å; F102-H106 AromaticContact CE2-CD2 3.85Å; F102-H106 PolarHBondContact O-CD2 3.31Å; F102-H106 PolarHBondContact O-N 3.46Å; L103-H106 PolarHBondContact O-N 2.85Å |
| 107 | H | 83.8 | Confident | 86.9 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 20% | 0.199 | 22% | 0.219 | C | C | . | . | trans | -142.8 | 66.8 | -171.4 | -64 | -59.5 | 0 | 0 | 0 | 112.3 | L103 N109 I110 Y111 | L103-H107 HydrophobicContact CD2-CB 4.48Å; L103-H107 CarbonylContact O-C 3.55Å; L103-H107 VanDerWaalsContact O-CA 3.29Å; L103-H107 WeakPolarHBondContact O-CA 3.45Å; L103-H107 PolarHBondContact O-N 3.3Å; H107-N109 PolarHBondContact O-N 2.98Å; H107-N109 VanDerWaalsContact O-N 3.11Å; H107-I110 HydrophobicContact CB-CB 4.11Å; H107-I110 HydrophobicContact CB-CD1 3.76Å; H107-I110 HydrophobicContact CB-CG1 4.14Å; H107-I110 PolarHBondContact O-N 3.03Å; H107-Y111 PolarHBondContact O-N 3.49Å | ||
| 108 | L | 84 | Confident | 87 | Confident | 61 Ų | 61 | 43.1 Ų | 43.1 | 32% | 0.319 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -51.7 | -38.5 | -176.9 | -171.4 | 69 | 0 | 0 | 0 | 113.8 | L103 E104 I110 Y111 L112 Y200 | L103-L108 PolarHBondContact O-N 3.32Å; E104-L108 HydrophobicContact CG-CD1 4.41Å; L108-I110 PolarHBondContact O-N 3.47Å; L108-Y111 HydrophobicContact CD1-CD1 4.03Å; L108-Y111 WeakPolarHBondContact O-CB 3.36Å; L108-Y111 PolarHBondContact O-N 3.44Å; L108-L112 HydrophobicContact CG-CD1 4.21Å; L108-L112 HydrophobicContact CG-CG 4.41Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.49Å; L108-L112 PolarHBondContact O-N 3.27Å; L108-Y200 HydrophobicContact CD1-CD1 4.09Å; L108-Y200 HydrophobicContact CD1-CD2 4.15Å; L108-Y200 HydrophobicContact CD1-CE1 3.84Å; L108-Y200 HydrophobicContact CD1-CE2 3.93Å; L108-Y200 HydrophobicContact CD1-CG 4.25Å; L108-Y200 HydrophobicContact CD2-CD1 4.19Å; L108-Y200 HydrophobicContact CD2-CE1 4.09Å |
| 109 | N | 85.2 | Confident | 87.2 | Confident | 138 Ų | 138 | 43.3 Ų | 43.3 | 74% | 0.738 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.4 | -40.2 | 178.1 | -68.6 | -17 | 0 | 0 | 0 | 112.7 | H107 K113 | H107-N109 PolarHBondContact O-N 2.98Å; H107-N109 VanDerWaalsContact O-N 3.11Å; N109-K113 WeakPolarHBondContact O-CB 3.35Å; N109-K113 PolarHBondContact O-N 3.29Å |
| 110 | I | 86.1 | Confident | 87.2 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.3 | -42.6 | 177.2 | -59.3 | 170.7 | 0 | 0 | 0 | 108.9 | S62 M65 D66 L103 H107 L108 L112 K113 K114 | S62-I110 WeakPolarHBondContact O-CD1 3.49Å; M65-I110 HydrophobicContact CB-CD1 3.86Å; D66-I110 HydrophobicContact CB-CD1 4.36Å; D66-I110 HydrophobicContact CB-CG1 4.44Å; L103-I110 HydrophobicContact CD1-CG2 4.24Å; L103-I110 HydrophobicContact CD2-CB 4.37Å; L103-I110 HydrophobicContact CD2-CG2 3.94Å; H107-I110 HydrophobicContact CB-CB 4.11Å; H107-I110 HydrophobicContact CB-CD1 3.76Å; H107-I110 HydrophobicContact CB-CG1 4.14Å; H107-I110 PolarHBondContact O-N 3.03Å; L108-I110 PolarHBondContact O-N 3.47Å; I110-L112 PolarHBondContact O-N 3.38Å; I110-K113 WeakPolarHBondContact O-CB 3.5Å; I110-K113 PolarHBondContact O-N 3.29Å; I110-K114 HydrophobicContact CG2-CG 4.12Å; I110-K114 WeakPolarHBondContact O-CG 3.26Å; I110-K114 PolarHBondContact O-N 3.31Å |
| 111 | Y | 90 | Very high | 87.2 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -51 | -55.6 | 173.8 | 172.1 | -102.5 | 0 | 0 | 0 | 112 | M100 L103 E104 H107 L108 K113 K114 A115 L193 S196 Y200 | M100-Y111 HydrophobicContact CB-CD2 4.43Å; M100-Y111 HydrophobicContact CB-CE2 4.06Å; M100-Y111 HydrophobicContact CE-CD2 3.68Å; M100-Y111 HydrophobicContact CE-CE2 3.5Å; M100-Y111 VanDerWaalsContact CE-CE2 3.5Å; M100-Y111 WeakPolarHBondContact O-CD2 3.3Å; M100-Y111 HydrophobicContact SD-CD2 4.42Å; L103-Y111 HydrophobicContact CB-CD2 4.27Å; E104-Y111 HydrophobicContact CB-CD1 4.29Å; E104-Y111 HydrophobicContact CB-CD2 3.8Å; E104-Y111 HydrophobicContact CB-CE2 4.03Å; E104-Y111 HydrophobicContact CB-CG 3.95Å; E104-Y111 HydrophobicContact CG-CD1 4.26Å; E104-Y111 HydrophobicContact CG-CE1 4.29Å; E104-Y111 HydrophobicContact CG-CG 4.41Å; H107-Y111 PolarHBondContact O-N 3.49Å; L108-Y111 HydrophobicContact CD1-CD1 4.03Å; L108-Y111 WeakPolarHBondContact O-CB 3.36Å; L108-Y111 PolarHBondContact O-N 3.44Å; Y111-K113 VanDerWaalsContact C-N 3.3Å; Y111-K113 PolarHBondContact O-N 3.13Å; Y111-K114 PolarHBondContact O-N 2.98Å; Y111-K114 VanDerWaalsContact O-N 3.17Å; Y111-A115 VanDerWaalsContact O-CB 3.25Å; Y111-A115 WeakPolarHBondContact O-CB 3.45Å; Y111-A115 PolarHBondContact O-N 3.05Å; Y111-L193 HydrophobicContact CE2-CD2 4.32Å; Y111-S196 WeakPolarHBondContact OH-CB 3.21Å; Y111-S196 PolarHBondContact OH-OG 3.46Å; Y111-Y200 HydrophobicContact CE1-CD2 4.27Å |
| 112 | L | 86.9 | Confident | 87.5 | Confident | 39 Ų | 39 | 42.3 Ų | 42.3 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | -179.4 | -64.7 | 170.2 | 0 | 0 | 0 | 111.4 | L108 I110 A115 V116 Y200 L201 | L108-L112 HydrophobicContact CG-CD1 4.21Å; L108-L112 HydrophobicContact CG-CG 4.41Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.49Å; L108-L112 PolarHBondContact O-N 3.27Å; I110-L112 PolarHBondContact O-N 3.38Å; L112-A115 PolarHBondContact O-N 3.09Å; L112-V116 WeakPolarHBondContact O-CB 3.43Å; L112-V116 VanDerWaalsContact O-CG2 3.3Å; L112-V116 WeakPolarHBondContact O-CG2 3.16Å; L112-V116 PolarHBondContact O-N 3.32Å; L112-Y200 HydrophobicContact CD2-CD2 4.43Å; L112-Y200 HydrophobicContact CD2-CG 4.23Å; L112-L201 HydrophobicContact CB-CD1 4.31Å; L112-L201 HydrophobicContact CD2-CD1 3.56Å; L112-L201 HydrophobicContact CD2-CG 4.17Å; L112-L201 HydrophobicContact CG-CD1 4.43Å |
| 113 | K | 87.5 | Confident | 87.8 | Confident | 120 Ų | 120 | 43.4 Ų | 43.4 | 52% | 0.522 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 176.5 | -170.1 | -173.7 | -177.9 | -175.2 | 0 | 112 | D66 N109 I110 Y111 H117 | D66-K113 IonicContact OD1-NZ 2.85Å; D66-K113 IonicContact OD2-NZ 3.51Å; D66-K113 PolarHBondContact OD2-NZ 2.96Å; N109-K113 WeakPolarHBondContact O-CB 3.35Å; N109-K113 PolarHBondContact O-N 3.29Å; I110-K113 WeakPolarHBondContact O-CB 3.5Å; I110-K113 PolarHBondContact O-N 3.29Å; Y111-K113 VanDerWaalsContact C-N 3.3Å; Y111-K113 PolarHBondContact O-N 3.13Å; K113-H117 WeakPolarHBondContact O-CB 3.39Å; K113-H117 PolarHBondContact O-N 2.99Å |
| 114 | K | 89.6 | Confident | 88 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71 | -38.6 | 178.4 | -63.4 | -44.4 | 175.7 | -155.9 | 0 | 112.3 | D66 S69 T70 I73 M100 L103 I110 Y111 H117 L118 | D66-K114 PolarHBondContact O-NZ 2.94Å; D66-K114 WeakPolarHBondContact OD1-CE 3.18Å; D66-K114 IonicContact OD1-NZ 2.72Å; D66-K114 PolarHBondContact OD1-NZ 3.43Å; S69-K114 WeakPolarHBondContact OG-CE 3.29Å; T70-K114 WeakPolarHBondContact OG1-CE 3.45Å; T70-K114 PolarHBondContact OG1-NZ 3.49Å; I73-K114 HydrophobicContact CD1-CB 3.96Å; I73-K114 HydrophobicContact CD1-CD 3.96Å; I73-K114 HydrophobicContact CD1-CG 3.92Å; M100-K114 HydrophobicContact CE-CB 4.1Å; M100-K114 HydrophobicContact SD-CB 3.82Å; L103-K114 HydrophobicContact CD1-CG 4.08Å; I110-K114 HydrophobicContact CG2-CG 4.12Å; I110-K114 WeakPolarHBondContact O-CG 3.26Å; I110-K114 PolarHBondContact O-N 3.31Å; Y111-K114 PolarHBondContact O-N 2.98Å; Y111-K114 VanDerWaalsContact O-N 3.17Å; K114-H117 WeakPolarHBondContact O-CB 3.43Å; K114-H117 PolarHBondContact O-N 2.86Å; K114-L118 WeakPolarHBondContact O-CG 3.2Å; K114-L118 PolarHBondContact O-N 3.27Å |
| 115 | A | 89.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -48.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | M100 Y111 L112 H117 L118 V119 F197 | M100-A115 VanDerWaalsContact CE-CA 3.47Å; M100-A115 HydrophobicContact CE-CB 3.5Å; Y111-A115 VanDerWaalsContact O-CB 3.25Å; Y111-A115 WeakPolarHBondContact O-CB 3.45Å; Y111-A115 PolarHBondContact O-N 3.05Å; L112-A115 PolarHBondContact O-N 3.09Å; A115-H117 VanDerWaalsContact C-N 3.3Å; A115-H117 PolarHBondContact O-N 3.29Å; A115-L118 PolarHBondContact O-N 3.25Å; A115-V119 WeakPolarHBondContact O-CG2 3.41Å; A115-V119 PolarHBondContact O-N 3.22Å; A115-F197 HydrophobicContact CB-CE1 3.5Å; A115-F197 VanDerWaalsContact CB-CE1 3.5Å; A115-F197 HydrophobicContact CB-CZ 3.49Å; A115-F197 VanDerWaalsContact CB-CZ 3.49Å |
| 116 | V | 88.9 | Confident | 88.6 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 41% | 0.406 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.8 | -37.9 | 174.6 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | L112 V119 S120 L201 | L112-V116 WeakPolarHBondContact O-CB 3.43Å; L112-V116 VanDerWaalsContact O-CG2 3.3Å; L112-V116 WeakPolarHBondContact O-CG2 3.16Å; L112-V116 PolarHBondContact O-N 3.32Å; V116-V119 PolarHBondContact O-N 3.49Å; V116-S120 PolarHBondContact O-N 2.95Å; V116-L201 HydrophobicContact CG2-CD1 3.95Å |
| 117 | H | 89.4 | Confident | 88.9 | Confident | 51 Ų | 51 | 37.6 Ų | 37.6 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 175.8 | -173.8 | 49.7 | 0 | 0 | 0 | 112 | Y74 K113 K114 A115 V119 S120 V121 | Y74-H117 AromaticContact CE2-NE2 3.69Å; Y74-H117 PolarHBondContact OH-NE2 3.16Å; K113-H117 WeakPolarHBondContact O-CB 3.39Å; K113-H117 PolarHBondContact O-N 2.99Å; K114-H117 WeakPolarHBondContact O-CB 3.43Å; K114-H117 PolarHBondContact O-N 2.86Å; A115-H117 VanDerWaalsContact C-N 3.3Å; A115-H117 PolarHBondContact O-N 3.29Å; H117-V119 VanDerWaalsContact C-N 3.29Å; H117-V119 PolarHBondContact O-N 2.82Å; H117-S120 WeakPolarHBondContact CA-OG 3.13Å; H117-S120 PolarHBondContact O-N 3.3Å; H117-S120 VanDerWaalsContact O-N 3.11Å; H117-S120 PolarHBondContact O-OG 3.45Å; H117-V121 WeakPolarHBondContact O-CG2 3.45Å; H117-V121 PolarHBondContact O-N 3.04Å |
| 118 | L | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.2 | -40.2 | 177 | -68.4 | 173.9 | 0 | 0 | 0 | 112.2 | I73 I96 M100 K114 A115 V121 L122 L186 L190 | I73-L118 HydrophobicContact CG2-CD2 3.9Å; I96-L118 HydrophobicContact CG2-CD1 4.13Å; M100-L118 HydrophobicContact CE-CD1 4.33Å; M100-L118 HydrophobicContact CG-CD1 4.38Å; M100-L118 HydrophobicContact SD-CD1 4.27Å; K114-L118 WeakPolarHBondContact O-CG 3.2Å; K114-L118 PolarHBondContact O-N 3.27Å; A115-L118 PolarHBondContact O-N 3.25Å; L118-V121 PolarHBondContact O-N 3.09Å; L118-L122 PolarHBondContact O-N 2.95Å; L118-L186 HydrophobicContact CD2-CD2 3.83Å; L118-L190 HydrophobicContact CB-CD2 4.31Å |
| 119 | V | 90.8 | Very high | 89.3 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.7 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | A115 V116 H117 V121 L122 N123 L190 F197 I208 I211 | A115-V119 WeakPolarHBondContact O-CG2 3.41Å; A115-V119 PolarHBondContact O-N 3.22Å; V116-V119 PolarHBondContact O-N 3.49Å; H117-V119 VanDerWaalsContact C-N 3.29Å; H117-V119 PolarHBondContact O-N 2.82Å; V119-V121 PolarHBondContact O-N 2.79Å; V119-L122 PolarHBondContact O-N 3.01Å; V119-N123 WeakPolarHBondContact O-CB 3.37Å; V119-N123 PolarHBondContact O-N 3.38Å; V119-L190 HydrophobicContact CG2-CD1 4.33Å; V119-L190 HydrophobicContact CG2-CD2 3.6Å; V119-F197 HydrophobicContact CG2-CE1 4.49Å; V119-F197 HydrophobicContact CG2-CE2 4.41Å; V119-F197 HydrophobicContact CG2-CZ 3.84Å; V119-I208 HydrophobicContact CG1-CG1 4.08Å; V119-I208 HydrophobicContact CG2-CD1 3.95Å; V119-I208 HydrophobicContact CG2-CG1 3.82Å; V119-I211 HydrophobicContact CG1-CD1 3.64Å |
| 120 | S | 89.8 | Confident | 89.3 | Confident | 43 Ų | 43 | 28.9 Ų | 28.9 | 30% | 0.301 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.2 | -41 | 177.3 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | V116 H117 N123 D124 | V116-S120 PolarHBondContact O-N 2.95Å; H117-S120 WeakPolarHBondContact CA-OG 3.13Å; H117-S120 PolarHBondContact O-N 3.3Å; H117-S120 VanDerWaalsContact O-N 3.11Å; H117-S120 PolarHBondContact O-OG 3.45Å; S120-N123 PolarHBondContact O-N 3.35Å; S120-D124 WeakPolarHBondContact O-CB 3.48Å; S120-D124 PolarHBondContact O-N 3.49Å |
| 121 | V | 90.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 178 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | H117 L118 V119 D124 L125 W142 L144 L186 | H117-V121 WeakPolarHBondContact O-CG2 3.45Å; H117-V121 PolarHBondContact O-N 3.04Å; L118-V121 PolarHBondContact O-N 3.09Å; V119-V121 PolarHBondContact O-N 2.79Å; V121-D124 PolarHBondContact O-N 2.84Å; V121-L125 WeakPolarHBondContact O-CB 3.48Å; V121-L125 PolarHBondContact O-N 2.95Å; V121-W142 HydrophobicContact CG1-CH2 3.9Å; V121-W142 HydrophobicContact CG1-CZ2 4.32Å; V121-L144 HydrophobicContact CG1-CD1 4.24Å; V121-L144 HydrophobicContact CG1-CD2 4.44Å; V121-L144 HydrophobicContact CG2-CD1 3.72Å; V121-L186 HydrophobicContact CG1-CD1 3.94Å |
| 122 | L | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 177 | 179.5 | 58.8 | 0 | 0 | 0 | 111.6 | L118 V119 L125 L126 V183 L186 L190 I211 L212 | L118-L122 PolarHBondContact O-N 2.95Å; V119-L122 PolarHBondContact O-N 3.01Å; L122-L125 PolarHBondContact O-N 3.39Å; L122-L126 HydrophobicContact CD1-CD1 3.82Å; L122-L126 HydrophobicContact CD1-CG 4.05Å; L122-L126 HydrophobicContact CG-CD1 3.86Å; L122-L126 HydrophobicContact CG-CG 4.48Å; L122-L126 WeakPolarHBondContact O-CB 3.28Å; L122-L126 WeakPolarHBondContact O-CG 3.36Å; L122-L126 PolarHBondContact O-N 3.37Å; L122-V183 HydrophobicContact CD1-CB 4.3Å; L122-V183 HydrophobicContact CD1-CG1 3.96Å; L122-V183 HydrophobicContact CD1-CG2 4.12Å; L122-L186 HydrophobicContact CB-CB 4.26Å; L122-L186 HydrophobicContact CB-CD1 3.93Å; L122-L186 HydrophobicContact CD1-CB 4.03Å; L122-L186 HydrophobicContact CD1-CD1 4.22Å; L122-L186 HydrophobicContact CD2-CB 4.33Å; L122-L186 HydrophobicContact CG-CB 4.43Å; L122-L190 HydrophobicContact CB-CD1 4.35Å; L122-L190 HydrophobicContact CD2-CD1 3.49Å; L122-L190 VanDerWaalsContact CD2-CD1 3.49Å; L122-I211 HydrophobicContact CB-CG2 4.4Å; L122-I211 HydrophobicContact CD2-CG2 3.63Å; L122-I211 HydrophobicContact CG-CG2 3.65Å; L122-L212 HydrophobicContact CD2-CD2 4.34Å |
| 123 | N | 92.6 | Very high | 88.6 | Confident | 27 Ų | 27 | 36 Ų | 36 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 179.3 | -179.1 | 66.3 | 0 | 0 | 0 | 111.9 | V119 S120 L126 N127 I211 | V119-N123 WeakPolarHBondContact O-CB 3.37Å; V119-N123 PolarHBondContact O-N 3.38Å; S120-N123 PolarHBondContact O-N 3.35Å; N123-L126 PolarHBondContact O-N 3.47Å; N123-N127 PolarHBondContact ND2-ND2 3.39Å; N123-N127 WeakPolarHBondContact O-CB 3.36Å; N123-N127 PolarHBondContact O-N 3.02Å; N123-N127 PolarHBondContact O-ND2 3Å; N123-I211 HydrophobicContact CB-CD1 3.79Å; N123-I211 HydrophobicContact CB-CG1 4.2Å |
| 124 | D | 90.7 | Very high | 88.4 | Confident | 86 Ų | 86 | 37.9 Ų | 37.9 | 46% | 0.46 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64 | -42.3 | 179.5 | -70.9 | -9.3 | 0 | 0 | 0 | 111.3 | S120 V121 N127 T128 | S120-D124 WeakPolarHBondContact O-CB 3.48Å; S120-D124 PolarHBondContact O-N 3.49Å; V121-D124 PolarHBondContact O-N 2.84Å; D124-N127 PolarHBondContact O-N 3.49Å; D124-T128 WeakPolarHBondContact O-CG2 3.32Å; D124-T128 PolarHBondContact O-N 3.04Å; D124-T128 VanDerWaalsContact O-N 3.08Å; D124-T128 PolarHBondContact O-OG1 3.01Å |
| 125 | L | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -49.7 | 175.4 | -177.6 | 66.4 | 0 | 0 | 0 | 111.6 | V121 L122 N127 T128 M129 F140 W142 L173 A179 L182 V183 | V121-L125 WeakPolarHBondContact O-CB 3.48Å; V121-L125 PolarHBondContact O-N 2.95Å; L122-L125 PolarHBondContact O-N 3.39Å; L125-N127 VanDerWaalsContact C-N 3.33Å; L125-N127 PolarHBondContact O-N 3.38Å; L125-T128 PolarHBondContact O-N 3.39Å; L125-T128 VanDerWaalsContact O-N 3.1Å; L125-T128 PolarHBondContact O-OG1 3.19Å; L125-M129 HydrophobicContact CG-SD 4.17Å; L125-M129 WeakPolarHBondContact O-CG 3.43Å; L125-M129 PolarHBondContact O-N 3Å; L125-F140 HydrophobicContact CD1-CZ 4.34Å; L125-W142 HydrophobicContact CB-CZ2 4.16Å; L125-W142 HydrophobicContact CD1-CB 4.49Å; L125-W142 HydrophobicContact CD1-CD2 3.73Å; L125-W142 HydrophobicContact CD1-CE3 3.92Å; L125-W142 HydrophobicContact CD1-CG 4.01Å; L125-W142 HydrophobicContact CD1-CZ2 4.42Å; L125-W142 HydrophobicContact CD1-CZ3 4.31Å; L125-L173 HydrophobicContact CD1-CD1 4.25Å; L125-A179 HydrophobicContact CD1-CB 3.98Å; L125-L182 HydrophobicContact CD2-CB 3.88Å; L125-L182 HydrophobicContact CD2-CD2 3.74Å; L125-L182 HydrophobicContact CD2-CG 3.76Å; L125-V183 HydrophobicContact CD2-CG2 3.54Å; L125-V183 HydrophobicContact CG-CG2 4.21Å |
| 126 | L | 90.8 | Very high | 86.8 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 179.4 | -72.2 | 169.5 | 0 | 0 | 0 | 112.5 | L122 N123 T128 M129 G130 V183 I211 I214 A215 L218 | L122-L126 HydrophobicContact CD1-CD1 3.82Å; L122-L126 HydrophobicContact CD1-CG 4.05Å; L122-L126 HydrophobicContact CG-CD1 3.86Å; L122-L126 HydrophobicContact CG-CG 4.48Å; L122-L126 WeakPolarHBondContact O-CB 3.28Å; L122-L126 WeakPolarHBondContact O-CG 3.36Å; L122-L126 PolarHBondContact O-N 3.37Å; N123-L126 PolarHBondContact O-N 3.47Å; L126-T128 VanDerWaalsContact C-N 3.3Å; L126-T128 PolarHBondContact O-N 3.31Å; L126-M129 HydrophobicContact CD2-SD 4.29Å; L126-M129 PolarHBondContact O-N 3.26Å; L126-G130 PolarHBondContact O-N 2.77Å; L126-V183 HydrophobicContact CD2-CG1 4.24Å; L126-V183 HydrophobicContact CD2-CG2 3.96Å; L126-V183 HydrophobicContact CG-CG2 4.47Å; L126-I211 HydrophobicContact CD1-CG2 3.59Å; L126-I211 WeakPolarHBondContact CD1-O 3.45Å; L126-I214 HydrophobicContact CB-CG2 4.26Å; L126-A215 HydrophobicContact CD1-CB 3.91Å; L126-A215 HydrophobicContact CD2-CB 4.01Å; L126-L218 HydrophobicContact CD2-CD1 4.47Å |
| 127 | N | 89.5 | Confident | 85.8 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 41% | 0.406 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 173.7 | -71.6 | -36.9 | 0 | 0 | 0 | 111.3 | N123 D124 L125 G130 L131 | N123-N127 PolarHBondContact ND2-ND2 3.39Å; N123-N127 WeakPolarHBondContact O-CB 3.36Å; N123-N127 PolarHBondContact O-N 3.02Å; N123-N127 PolarHBondContact O-ND2 3Å; D124-N127 PolarHBondContact O-N 3.49Å; L125-N127 VanDerWaalsContact C-N 3.33Å; L125-N127 PolarHBondContact O-N 3.38Å; N127-G130 PolarHBondContact O-N 3.33Å; N127-L131 VanDerWaalsContact O-CG 3.29Å; N127-L131 WeakPolarHBondContact O-CG 3.46Å; N127-L131 PolarHBondContact O-N 3.12Å |
| 128 | T | 87 | Confident | 84.7 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.1 | -35.5 | 175.4 | 59 | 0 | 0 | 0 | 0 | 113.6 | D124 L125 L126 L131 F132 | D124-T128 WeakPolarHBondContact O-CG2 3.32Å; D124-T128 PolarHBondContact O-N 3.04Å; D124-T128 VanDerWaalsContact O-N 3.08Å; D124-T128 PolarHBondContact O-OG1 3.01Å; L125-T128 PolarHBondContact O-N 3.39Å; L125-T128 VanDerWaalsContact O-N 3.1Å; L125-T128 PolarHBondContact O-OG1 3.19Å; L126-T128 VanDerWaalsContact C-N 3.3Å; L126-T128 PolarHBondContact O-N 3.31Å; T128-L131 PolarHBondContact O-N 2.89Å; T128-F132 WeakPolarHBondContact O-CB 3.43Å; T128-F132 PolarHBondContact O-N 2.83Å |
| 129 | M | 88.2 | Confident | 84 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 172.4 | -68.8 | 173.8 | 66.7 | 0 | 0 | 111.3 | L125 L126 L131 F132 D133 F140 A179 Y180 V183 L218 T219 | L125-M129 HydrophobicContact CG-SD 4.17Å; L125-M129 WeakPolarHBondContact O-CG 3.43Å; L125-M129 PolarHBondContact O-N 3Å; L126-M129 HydrophobicContact CD2-SD 4.29Å; L126-M129 PolarHBondContact O-N 3.26Å; M129-L131 VanDerWaalsContact C-N 3.32Å; M129-L131 PolarHBondContact O-N 3.03Å; M129-F132 WeakPolarHBondContact O-CB 3.37Å; M129-F132 PolarHBondContact O-N 3.12Å; M129-F132 VanDerWaalsContact O-N 3.11Å; M129-D133 PolarHBondContact O-N 3.11Å; M129-F140 HydrophobicContact CG-CE2 4.05Å; M129-F140 HydrophobicContact CG-CZ 4.33Å; M129-A179 HydrophobicContact CG-CB 4.39Å; M129-A179 HydrophobicContact SD-CB 4.05Å; M129-Y180 HydrophobicContact CE-CD1 3.43Å; M129-Y180 VanDerWaalsContact CE-CD1 3.43Å; M129-Y180 HydrophobicContact CE-CE1 3.3Å; M129-V183 HydrophobicContact SD-CG2 3.75Å; M129-L218 HydrophobicContact CB-CD1 4.36Å; M129-T219 HydrophobicContact CE-CG2 4.45Å |
| 130 | G | 86.1 | Confident | 83.6 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L126 N127 Q134 | L126-G130 PolarHBondContact O-N 2.77Å; N127-G130 PolarHBondContact O-N 3.33Å; G130-Q134 VanDerWaalsContact O-CG 3.27Å; G130-Q134 WeakPolarHBondContact O-CG 3.42Å; G130-Q134 PolarHBondContact O-N 3.23Å; G130-Q134 VanDerWaalsContact O-N 3.15Å |
| 131 | L | 84.8 | Confident | 83.4 | Confident | 79 Ų | 79 | 64.1 Ų | 64.1 | 41% | 0.414 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.9 | -33.6 | 172.6 | -71.6 | 172.9 | 0 | 0 | 0 | 112.6 | N127 T128 M129 R135 | N127-L131 VanDerWaalsContact O-CG 3.29Å; N127-L131 WeakPolarHBondContact O-CG 3.46Å; N127-L131 PolarHBondContact O-N 3.12Å; T128-L131 PolarHBondContact O-N 2.89Å; M129-L131 VanDerWaalsContact C-N 3.32Å; M129-L131 PolarHBondContact O-N 3.03Å; L131-R135 WeakPolarHBondContact O-CB 3.28Å; L131-R135 WeakPolarHBondContact O-CG 3.31Å; L131-R135 PolarHBondContact O-N 3.29Å; L131-R135 VanDerWaalsContact O-N 3.08Å |
| 132 | F | 83.5 | Confident | 83.3 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.4 | -49.1 | 175.5 | 177.2 | -95 | 0 | 0 | 0 | 111 | T128 M129 Q134 R135 G136 S137 F140 L176 | T128-F132 WeakPolarHBondContact O-CB 3.43Å; T128-F132 PolarHBondContact O-N 2.83Å; M129-F132 WeakPolarHBondContact O-CB 3.37Å; M129-F132 PolarHBondContact O-N 3.12Å; M129-F132 VanDerWaalsContact O-N 3.11Å; F132-Q134 PolarHBondContact O-N 3.35Å; F132-R135 PolarHBondContact O-N 3.5Å; F132-G136 PolarHBondContact O-N 3.45Å; F132-G136 VanDerWaalsContact O-N 3.14Å; F132-S137 WeakPolarHBondContact CE2-O 3.38Å; F132-S137 WeakPolarHBondContact CZ-O 3.39Å; F132-F140 HydrophobicContact CB-CD2 4.1Å; F132-F140 HydrophobicContact CD1-CD2 4.45Å; F132-F140 HydrophobicContact CD2-CB 3.93Å; F132-F140 AromaticContact CD2-CD2 3.9Å; F132-F140 HydrophobicContact CD2-CD2 3.9Å; F132-F140 HydrophobicContact CD2-CG 4.43Å; F132-F140 HydrophobicContact CE2-CB 3.67Å; F132-F140 HydrophobicContact CE2-CD2 4.45Å; F132-F140 AromaticContact CG-CD2 3.9Å; F132-F140 HydrophobicContact CG-CD2 3.9Å; F132-F140 HydrophobicContact CZ-CB 4.17Å; F132-L176 HydrophobicContact CD1-CD1 4.05Å; F132-L176 HydrophobicContact CD1-CD2 4.46Å; F132-L176 HydrophobicContact CE1-CD1 4.16Å; F132-L176 HydrophobicContact CE1-CD2 3.9Å |
| 133 | D | 79.2 | Confident | 83 | Confident | 87 Ų | 87 | 68 Ų | 68 | 47% | 0.465 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.6 | -35.7 | 176 | -82 | -4.8 | 0 | 0 | 0 | 112.2 | M129 L218 | M129-D133 PolarHBondContact O-N 3.11Å; D133-L218 WeakPolarHBondContact OD2-CD2 3.33Å |
| 134 | Q | 82.6 | Confident | 82.7 | Confident | 160 Ų | 160 | 67.3 Ų | 67.3 | 75% | 0.748 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -73.5 | -30.8 | 175.4 | -73.3 | 174.6 | 15 | 0 | 0 | 114 | G130 F132 | G130-Q134 VanDerWaalsContact O-CG 3.27Å; G130-Q134 WeakPolarHBondContact O-CG 3.42Å; G130-Q134 PolarHBondContact O-N 3.23Å; G130-Q134 VanDerWaalsContact O-N 3.15Å; F132-Q134 PolarHBondContact O-N 3.35Å |
| 135 | R | 79.2 | Confident | 82.2 | Confident | 190 Ų | 190 | 73.4 Ų | 73.4 | 72% | 0.717 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -83.7 | -25.5 | -175.3 | -77.5 | 173.8 | -175.9 | -177.1 | 3.3 | 113.4 | L131 F132 S137 | L131-R135 WeakPolarHBondContact O-CB 3.28Å; L131-R135 WeakPolarHBondContact O-CG 3.31Å; L131-R135 PolarHBondContact O-N 3.29Å; L131-R135 VanDerWaalsContact O-N 3.08Å; F132-R135 PolarHBondContact O-N 3.5Å; R135-S137 PolarHBondContact O-N 3.38Å |
| 136 | G | 67.4 | Low | 81.3 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 72% | 0.722 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 28.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F132 | F132-G136 PolarHBondContact O-N 3.45Å; F132-G136 VanDerWaalsContact O-N 3.14Å |
| 137 | S | 67 | Low | 80.1 | Confident | 59 Ų | 59 | 78 Ų | 78 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | trans | -89.8 | 146.7 | 179.7 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | F132 R135 | F132-S137 WeakPolarHBondContact CE2-O 3.38Å; F132-S137 WeakPolarHBondContact CZ-O 3.39Å; R135-S137 PolarHBondContact O-N 3.38Å | ||
| 138 | D | 66.6 | Low | 78.4 | Confident | 160 Ų | 160 | 80.3 Ų | 80.3 | 86% | 0.856 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -76.1 | -25.7 | -179.5 | -69.3 | -33.1 | 0 | 0 | 0 | 113.7 | F140 | D138-F140 PolarHBondContact O-N 3.19Š|
| 139 | D | 75.3 | Confident | 76.7 | Confident | 139 Ų | 139 | 84.3 Ų | 84.3 | 74% | 0.743 | 45% | 0.452 | S | S | * | . | trans | -95.1 | 96.6 | -173.6 | -66.2 | -23.2 | 0 | 0 | 0 | 112.9 | ||||
| 140 | F | 82.6 | Confident | 74.4 | Confident | 13 Ų | 13 | 92.9 Ų | 92.9 | 6% | 0.057 | 49% | 0.492 | C | S | . | . | trans | -78.5 | 125.5 | 169.6 | 179.4 | -95.5 | 0 | 0 | 0 | 110.5 | L125 M129 F132 D138 W142 L173 S174 L176 A179 | L125-F140 HydrophobicContact CD1-CZ 4.34Å; M129-F140 HydrophobicContact CG-CE2 4.05Å; M129-F140 HydrophobicContact CG-CZ 4.33Å; F132-F140 HydrophobicContact CB-CD2 4.1Å; F132-F140 HydrophobicContact CD1-CD2 4.45Å; F132-F140 HydrophobicContact CD2-CB 3.93Å; F132-F140 AromaticContact CD2-CD2 3.9Å; F132-F140 HydrophobicContact CD2-CD2 3.9Å; F132-F140 HydrophobicContact CD2-CG 4.43Å; F132-F140 HydrophobicContact CE2-CB 3.67Å; F132-F140 HydrophobicContact CE2-CD2 4.45Å; F132-F140 AromaticContact CG-CD2 3.9Å; F132-F140 HydrophobicContact CG-CD2 3.9Å; F132-F140 HydrophobicContact CZ-CB 4.17Å; D138-F140 PolarHBondContact O-N 3.19Å; F140-W142 HydrophobicContact CE1-CB 4.08Å; F140-W142 HydrophobicContact CZ-CB 3.91Å; F140-L173 HydrophobicContact CE1-CB 4.26Å; F140-S174 CarbonylContact O-C 3.59Å; F140-L176 HydrophobicContact CB-CB 4.45Å; F140-L176 HydrophobicContact CD2-CD1 3.78Å; F140-L176 HydrophobicContact CE2-CD1 4.05Å; F140-L176 HydrophobicContact CG-CB 4.45Å; F140-L176 HydrophobicContact CG-CD1 4.12Å; F140-A179 HydrophobicContact CE1-CB 3.71Å; F140-A179 HydrophobicContact CZ-CB 3.62Å | ||
| 141 | S | 84.6 | Confident | 72.1 | Confident | 98 Ų | 98 | 99.9 Ų | 99.9 | 69% | 0.685 | 53% | 0.526 | S | S | * | . | trans | -140.3 | 129 | 171.2 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | L173 | S141-L173 WeakPolarHBondContact CA-O 3.14Š| ||
| 142 | W | 88.8 | Confident | 69.8 | Low | 20 Ų | 20 | 99.2 Ų | 99.2 | 8% | 0.076 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 137.6 | 174.5 | 179.2 | 84.7 | 0 | 0 | 0 | 110.5 | V121 L125 F140 L144 L173 L182 | V121-W142 HydrophobicContact CG1-CH2 3.9Å; V121-W142 HydrophobicContact CG1-CZ2 4.32Å; L125-W142 HydrophobicContact CB-CZ2 4.16Å; L125-W142 HydrophobicContact CD1-CB 4.49Å; L125-W142 HydrophobicContact CD1-CD2 3.73Å; L125-W142 HydrophobicContact CD1-CE3 3.92Å; L125-W142 HydrophobicContact CD1-CG 4.01Å; L125-W142 HydrophobicContact CD1-CZ2 4.42Å; L125-W142 HydrophobicContact CD1-CZ3 4.31Å; F140-W142 HydrophobicContact CE1-CB 4.08Å; F140-W142 HydrophobicContact CZ-CB 3.91Å; W142-L144 HydrophobicContact CE3-CB 4.49Å; W142-L144 HydrophobicContact CH2-CB 3.58Å; W142-L144 HydrophobicContact CH2-CD1 3.94Å; W142-L144 HydrophobicContact CH2-CD2 4.33Å; W142-L144 HydrophobicContact CH2-CG 4.14Å; W142-L144 HydrophobicContact CZ2-CB 4.29Å; W142-L144 HydrophobicContact CZ2-CD1 4.23Å; W142-L144 HydrophobicContact CZ3-CB 3.69Å; W142-L173 HydrophobicContact CE3-CB 4.36Å; W142-L173 HydrophobicContact CE3-CD1 3.57Å; W142-L173 HydrophobicContact CE3-CG 3.79Å; W142-L173 HydrophobicContact CZ3-CD1 3.82Å; W142-L173 HydrophobicContact CZ3-CG 4.2Å; W142-L173 PolarHBondContact N-O 3.34Å; W142-L173 PolarHBondContact O-N 3.01Å; W142-L182 HydrophobicContact CH2-CD2 4.05Å; W142-L182 HydrophobicContact CZ3-CD2 3.77Å |
| 143 | V | 86.8 | Confident | 67.6 | Low | 65 Ų | 65 | 104.7 Ų | 104.7 | 39% | 0.394 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.9 | 115.4 | -176.7 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | R145 P170 I171 E172 | V143-R145 PolarHBondContact O-N 3.3Å; V143-P170 HydrophobicContact CG1-CB 4.23Å; V143-I171 WeakPolarHBondContact CA-O 3.28Å; V143-E172 HydrophobicContact CB-CG 4.41Å; V143-E172 HydrophobicContact CG1-CG 4.01Å; V143-E172 HydrophobicContact CG2-CB 4.31Å; V143-E172 HydrophobicContact CG2-CG 3.79Å |
| 144 | L | 85.9 | Confident | 65.7 | Low | 13 Ų | 13 | 106.7 Ų | 106.7 | 7% | 0.068 | 58% | 0.577 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 105.9 | 167.8 | -174.9 | 58.9 | 0 | 0 | 0 | 109.4 | Y74 I77 V121 W142 P170 I171 | Y74-L144 HydrophobicContact CD1-CD2 4.35Å; Y74-L144 HydrophobicContact CE1-CD2 3.74Å; Y74-L144 HydrophobicContact CE1-CG 3.89Å; I77-L144 HydrophobicContact CD1-CD2 4.27Å; V121-L144 HydrophobicContact CG1-CD1 4.24Å; V121-L144 HydrophobicContact CG1-CD2 4.44Å; V121-L144 HydrophobicContact CG2-CD1 3.72Å; W142-L144 HydrophobicContact CE3-CB 4.49Å; W142-L144 HydrophobicContact CH2-CB 3.58Å; W142-L144 HydrophobicContact CH2-CD1 3.94Å; W142-L144 HydrophobicContact CH2-CD2 4.33Å; W142-L144 HydrophobicContact CH2-CG 4.14Å; W142-L144 HydrophobicContact CZ2-CB 4.29Å; W142-L144 HydrophobicContact CZ2-CD1 4.23Å; W142-L144 HydrophobicContact CZ3-CB 3.69Å; L144-P170 WeakPolarHBondContact O-CA 3.47Å; L144-I171 HydrophobicContact CB-CB 4.2Å; L144-I171 HydrophobicContact CD2-CD1 4.28Å; L144-I171 PolarHBondContact N-O 3.16Å; L144-I171 PolarHBondContact O-N 3.11Å; L144-I171 VanDerWaalsContact O-N 3.1Å |
| 145 | R | 79.4 | Confident | 63.5 | Low | 213 Ų | 213 | 102.6 Ų | 102.6 | 80% | 0.804 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 130.7 | 176.8 | -65.3 | -178.1 | -177.1 | 171.2 | 1.5 | 110.4 | Y74 V143 | Y74-R145 PolarHBondContact OH-O 3.46Å; Y74-R145 VanDerWaalsContact OH-O 3.13Å; V143-R145 PolarHBondContact O-N 3.3Å |
| 146 | A | 71.4 | Confident | 61.6 | Low | 27 Ų | 27 | 99 Ų | 99 | 22% | 0.223 | 57% | 0.565 | C | S | . | * | P | Polyproline II helix | trans | -60.3 | 143.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T148 C168 | A146-T148 PolarHBondContact O-N 3.05Å; A146-C168 HydrophobicContact CB-CB 4.1Å; A146-C168 WeakPolarHBondContact CB-O 3.14Å |
| 147 | P | 65.9 | Low | 60.5 | Low | 72 Ų | 72 | 105.1 Ų | 105.1 | 47% | 0.468 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -63 | 122.8 | -179.7 | 21.5 | -28.5 | 0 | 0 | 0 | 110.6 | T70 K149 | T70-P147 HydrophobicContact CG2-CG 3.61Å; P147-K149 PolarHBondContact O-N 3.35Å |
| 148 | T | 53.9 | Low | 59.3 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 77% | 0.773 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 125.2 | -179.7 | 40.4 | 0 | 0 | 0 | 0 | 110.7 | A146 Q150 | A146-T148 PolarHBondContact O-N 3.05Å; T148-Q150 PolarHBondContact O-N 2.96Å |
| 149 | K | 51.5 | Low | 58 | Low | 126 Ų | 126 | 105.9 Ų | 105.9 | 55% | 0.548 | 58% | 0.58 | S | S | . | * | trans | -63 | 105.4 | 172.8 | -71.8 | -171.2 | 177.4 | -170.1 | 0 | 108.8 | P147 N151 A152 | P147-K149 PolarHBondContact O-N 3.35Å; K149-N151 PolarHBondContact O-N 3.42Å; K149-N151 VanDerWaalsContact O-N 3.1Å; K149-A152 HydrophobicContact CB-CB 4.06Å; K149-A152 HydrophobicContact CD-CB 4.02Å | ||
| 150 | Q | 40.7 | Very low | 56.4 | Low | 182 Ų | 182 | 109.4 Ų | 109.4 | 85% | 0.85 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -5.2 | -179.8 | -86.9 | -175 | -11.9 | 0 | 0 | 114.8 | T148 | T148-Q150 PolarHBondContact O-N 2.96Š|
| 151 | N | 36.3 | Very low | 54.5 | Low | 161 Ų | 161 | 111.5 Ų | 111.5 | 86% | 0.861 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.5 | 37.7 | -178.1 | -79.7 | -36.2 | 0 | 0 | 0 | 115.5 | K149 I153 | K149-N151 PolarHBondContact O-N 3.42Å; K149-N151 VanDerWaalsContact O-N 3.1Å; N151-I153 PolarHBondContact O-N 3.31Å |
| 152 | A | 37 | Very low | 52.7 | Low | 65 Ų | 65 | 115 Ų | 115 | 54% | 0.537 | 62% | 0.616 | S | S | . | * | trans | -87.7 | 85.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | K149 V154 | K149-A152 HydrophobicContact CB-CB 4.06Å; K149-A152 HydrophobicContact CD-CB 4.02Å; A152-V154 PolarHBondContact O-N 3.48Å; A152-V154 VanDerWaalsContact O-N 3.14Å | ||
| 153 | I | 37.9 | Very low | 50.9 | Low | 153 Ų | 153 | 120.8 Ų | 120.8 | 79% | 0.785 | 64% | 0.644 | S | S | * | * | trans | -55.6 | 114.9 | 155.8 | -63 | 167.6 | 0 | 0 | 0 | 105.5 | N151 P155 | N151-I153 PolarHBondContact O-N 3.31Å; I153-P155 WeakPolarHBondContact O-CD 3.34Å | ||
| 154 | V | 38.2 | Very low | 49.4 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 78% | 0.782 | 65% | 0.647 | S | S | * | * | trans | -56.4 | 110.1 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | A152 | A152-V154 PolarHBondContact O-N 3.48Å; A152-V154 VanDerWaalsContact O-N 3.14Å | ||
| 155 | P | 37.5 | Very low | 48.2 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 48% | 0.481 | 67% | 0.67 | S | S | . | * | trans | -77.8 | 142.8 | 172.6 | 6.7 | 11.3 | 0 | 0 | 0 | 108.1 | I153 | I153-P155 WeakPolarHBondContact O-CD 3.34Š| ||
| 156 | P | 39.5 | Very low | 47.8 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | trans | -64.6 | 145.4 | -177.1 | 27.6 | -32.2 | 0 | 0 | 0 | 110.9 | D158 | P156-D158 PolarHBondContact O-N 3.3Š| ||
| 157 | E | 44.4 | Very low | 47.7 | Very low | 199 Ų | 199 | 123.7 Ų | 123.7 | 93% | 0.93 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 10.5 | -165.6 | -68.9 | -174.6 | 143.7 | 0 | 0 | 117.5 | ||
| 158 | D | 40.4 | Very low | 48.3 | Very low | 160 Ų | 160 | 122 Ų | 122 | 86% | 0.856 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 7.9 | -171.9 | -80.2 | -30.7 | 0 | 0 | 0 | 116.5 | P156 K160 | P156-D158 PolarHBondContact O-N 3.3Å; D158-K160 PolarHBondContact O-N 3.16Å |
| 159 | S | 40.8 | Very low | 49.3 | Very low | 76 Ų | 76 | 121.9 Ų | 121.9 | 53% | 0.531 | 64% | 0.636 | S | S | . | * | trans | -92.5 | 104.9 | 169.8 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | S161 | S159-S161 PolarHBondContact O-N 3.36Å; S159-S161 PolarHBondContact O-OG 3.41Å | ||
| 160 | K | 40.5 | Very low | 50.7 | Low | 213 Ų | 213 | 119.3 Ų | 119.3 | 93% | 0.926 | 63% | 0.633 | S | S | * | * | trans | -63.6 | 62.1 | 164.5 | -67.6 | -179.8 | 176.6 | 179.2 | 0 | 111.6 | D158 | D158-K160 PolarHBondContact O-N 3.16Š| ||
| 161 | S | 43.6 | Very low | 52.7 | Low | 56 Ų | 56 | 111.2 Ų | 111.2 | 39% | 0.392 | 60% | 0.595 | S | S | . | * | trans | -92.6 | 112.2 | 168.8 | 55.9 | 0 | 0 | 0 | 0 | 107.7 | S159 E163 | S159-S161 PolarHBondContact O-N 3.36Å; S159-S161 PolarHBondContact O-OG 3.41Å; S161-E163 PolarHBondContact O-N 2.95Å | ||
| 162 | D | 47 | Very low | 55 | Low | 172 Ų | 172 | 109.3 Ų | 109.3 | 92% | 0.92 | 58% | 0.581 | S | S | * | * | trans | -66.6 | 48 | 170 | -73.8 | -31.8 | 0 | 0 | 0 | 111.6 | ||||
| 163 | E | 51.3 | Low | 57.2 | Low | 141 Ų | 141 | 106.3 Ų | 106.3 | 66% | 0.659 | 56% | 0.556 | S | S | * | * | trans | -80.7 | 121.3 | 174.2 | -77.1 | -172.9 | 167.4 | 0 | 0 | 109.7 | S161 R165 | S161-E163 PolarHBondContact O-N 2.95Å; E163-R165 PolarHBondContact O-N 3.21Å | ||
| 164 | L | 55.5 | Low | 59.3 | Low | 88 Ų | 88 | 103.1 Ų | 103.1 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | trans | -58.4 | 106.8 | 174.4 | -70.1 | 163.5 | 0 | 0 | 0 | 109.9 | F166 | L164-F166 HydrophobicContact CB-CE2 4.32Å; L164-F166 HydrophobicContact CB-CZ 4.27Å | ||
| 165 | R | 60.6 | Low | 61.4 | Low | 146 Ų | 146 | 98.8 Ų | 98.8 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | trans | -96.1 | 113.8 | 175.4 | -70.3 | -176.6 | -179.5 | 177 | 2.6 | 110.8 | E163 | E163-R165 PolarHBondContact O-N 3.21Š| ||
| 166 | F | 70 | Confident | 63.5 | Low | 17 Ų | 17 | 97.2 Ų | 97.2 | 8% | 0.075 | 51% | 0.512 | C | S | . | . | trans | -88.8 | 106.5 | 171.9 | -56.9 | -73.6 | 0 | 0 | 0 | 110 | V13 Y17 D67 F68 W71 L164 | V13-F166 HydrophobicContact CG1-CZ 4.45Å; Y17-F166 HydrophobicContact CD2-CD1 4.09Å; Y17-F166 AromaticContact CD2-CE1 3.87Å; Y17-F166 HydrophobicContact CD2-CE1 3.87Å; Y17-F166 HydrophobicContact CE2-CD1 4.15Å; Y17-F166 HydrophobicContact CE2-CE1 4.29Å; D67-F166 HydrophobicContact CB-CD2 4Å; F68-F166 HydrophobicContact CB-CD2 4.4Å; F68-F166 HydrophobicContact CB-CE2 4.02Å; F68-F166 HydrophobicContact CB-CZ 4.16Å; F68-F166 HydrophobicContact CD2-CD1 4.39Å; F68-F166 AromaticContact CD2-CE1 3.72Å; F68-F166 HydrophobicContact CD2-CE1 3.72Å; F68-F166 HydrophobicContact CD2-CE2 4.42Å; F68-F166 AromaticContact CD2-CZ 3.73Å; F68-F166 HydrophobicContact CD2-CZ 3.73Å; F68-F166 HydrophobicContact CE2-CE1 4.46Å; F68-F166 HydrophobicContact CG-CZ 4.4Å; W71-F166 HydrophobicContact CB-CB 3.87Å; W71-F166 HydrophobicContact CB-CD1 4.36Å; W71-F166 HydrophobicContact CB-CG 4.34Å; W71-F166 HydrophobicContact CD2-CD1 4.19Å; W71-F166 HydrophobicContact CG-CB 4.01Å; W71-F166 HydrophobicContact CG-CD1 4.1Å; W71-F166 HydrophobicContact CG-CG 4.43Å; L164-F166 HydrophobicContact CB-CE2 4.32Å; L164-F166 HydrophobicContact CB-CZ 4.27Å | ||
| 167 | H | 69.8 | Low | 65.5 | Low | 129 Ų | 129 | 100 Ų | 100 | 60% | 0.597 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -96.5 | 123.8 | 177.8 | -70.3 | -74.8 | 0 | 0 | 0 | 110.5 | ||
| 168 | C | 77.6 | Confident | 67.5 | Low | 35 Ų | 35 | 91.6 Ų | 91.6 | 24% | 0.236 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 124.7 | 171.5 | -63.1 | 0 | 0 | 0 | 0 | 109.6 | Y74 A146 | Y74-C168 HydrophobicContact CD1-CB 4.25Å; Y74-C168 HydrophobicContact CG-CB 4.38Å; A146-C168 HydrophobicContact CB-CB 4.1Å; A146-C168 WeakPolarHBondContact CB-O 3.14Å |
| 169 | L | 76.2 | Confident | 69.7 | Low | 124 Ų | 124 | 84 Ų | 84 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -87.2 | 149.7 | 170.9 | -67.1 | 169.8 | 0 | 0 | 0 | 109.7 | ||
| 170 | P | 80.5 | Confident | 71.9 | Confident | 73 Ų | 73 | 82.7 Ų | 82.7 | 47% | 0.474 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 140.5 | 171.6 | 27.4 | -33 | 0 | 0 | 0 | 110.1 | V143 L144 | V143-P170 HydrophobicContact CG1-CB 4.23Å; L144-P170 WeakPolarHBondContact O-CA 3.47Å |
| 171 | I | 82.4 | Confident | 74 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 6% | 0.056 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 114.1 | 179.6 | -54.1 | 176 | 0 | 0 | 0 | 107.7 | Y74 I77 V78 V143 L144 L173 | Y74-I171 HydrophobicContact CD1-CD1 3.84Å; Y74-I171 HydrophobicContact CD1-CG1 4.19Å; Y74-I171 HydrophobicContact CG-CD1 4.4Å; Y74-I171 WeakPolarHBondContact O-CD1 3.1Å; I77-I171 HydrophobicContact CB-CD1 4.05Å; I77-I171 HydrophobicContact CG2-CD1 3.66Å; V78-I171 HydrophobicContact CG2-CD1 3.57Å; V78-I171 HydrophobicContact CG2-CG1 3.81Å; V78-I171 HydrophobicContact CG2-CG2 4.38Å; V143-I171 WeakPolarHBondContact CA-O 3.28Å; L144-I171 HydrophobicContact CB-CB 4.2Å; L144-I171 HydrophobicContact CD2-CD1 4.28Å; L144-I171 PolarHBondContact N-O 3.16Å; L144-I171 PolarHBondContact O-N 3.11Å; L144-I171 VanDerWaalsContact O-N 3.1Å; I171-L173 HydrophobicContact CG2-CD2 4.18Å |
| 172 | E | 83.7 | Confident | 76.2 | Confident | 121 Ų | 121 | 71.5 Ų | 71.5 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.5 | 175.4 | -54.5 | -164.9 | 156.8 | 0 | 0 | 110 | R82 V143 | R82-E172 PolarHBondContact NH2-O 3.2Å; V143-E172 HydrophobicContact CB-CG 4.41Å; V143-E172 HydrophobicContact CG1-CG 4.01Å; V143-E172 HydrophobicContact CG2-CB 4.31Å; V143-E172 HydrophobicContact CG2-CG 3.79Å |
| 173 | L | 84.9 | Confident | 78.3 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.3 | 171.2 | -57 | -174.2 | 0 | 0 | 0 | 108.3 | C81 L125 F140 S141 W142 I171 E178 L182 | C81-L173 HydrophobicContact CB-CD2 3.84Å; L125-L173 HydrophobicContact CD1-CD1 4.25Å; F140-L173 HydrophobicContact CE1-CB 4.26Å; S141-L173 WeakPolarHBondContact CA-O 3.14Å; W142-L173 HydrophobicContact CE3-CB 4.36Å; W142-L173 HydrophobicContact CE3-CD1 3.57Å; W142-L173 HydrophobicContact CE3-CG 3.79Å; W142-L173 HydrophobicContact CZ3-CD1 3.82Å; W142-L173 HydrophobicContact CZ3-CG 4.2Å; W142-L173 PolarHBondContact N-O 3.34Å; W142-L173 PolarHBondContact O-N 3.01Å; I171-L173 HydrophobicContact CG2-CD2 4.18Å; L173-E178 WeakPolarHBondContact CA-OE2 3.17Å; L173-E178 HydrophobicContact CB-CB 4.46Å; L173-E178 HydrophobicContact CD2-CB 3.95Å; L173-L182 HydrophobicContact CD1-CD2 3.84Å |
| 174 | S | 81 | Confident | 80 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 60% | 0.601 | 28% | 0.281 | S | S | * | . | trans | -103.9 | -11 | -177.8 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | F140 E178 | F140-S174 CarbonylContact O-C 3.59Å; S174-E178 PolarHBondContact N-OE2 2.87Å; S174-E178 VanDerWaalsContact N-OE2 3.13Å | ||
| 175 | A | 81.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -124.8 | 137.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R177 E178 A179 | A175-R177 PolarHBondContact O-N 3.19Å; A175-E178 HydrophobicContact CB-CG 4.1Å; A175-E178 PolarHBondContact N-OE2 2.77Å; A175-E178 WeakPolarHBondContact O-CB 3.21Å; A175-E178 PolarHBondContact O-N 2.8Å; A175-A179 PolarHBondContact O-N 3.02Å |
| 176 | L | 82.8 | Confident | 83 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.5 | -32.5 | 178.2 | -169.8 | 69.2 | 0 | 0 | 0 | 112.4 | F132 F140 E178 A179 Y180 | F132-L176 HydrophobicContact CD1-CD1 4.05Å; F132-L176 HydrophobicContact CD1-CD2 4.46Å; F132-L176 HydrophobicContact CE1-CD1 4.16Å; F132-L176 HydrophobicContact CE1-CD2 3.9Å; F140-L176 HydrophobicContact CB-CB 4.45Å; F140-L176 HydrophobicContact CD2-CD1 3.78Å; F140-L176 HydrophobicContact CE2-CD1 4.05Å; F140-L176 HydrophobicContact CG-CB 4.45Å; F140-L176 HydrophobicContact CG-CD1 4.12Å; L176-E178 VanDerWaalsContact C-N 3.26Å; L176-E178 PolarHBondContact O-N 3.41Å; L176-A179 WeakPolarHBondContact O-CA 3.32Å; L176-A179 WeakPolarHBondContact O-CB 3.44Å; L176-A179 PolarHBondContact O-N 3.1Å; L176-A179 VanDerWaalsContact O-N 3.08Å; L176-Y180 HydrophobicContact CD2-CE2 3.86Å; L176-Y180 VanDerWaalsContact CD2-OH 3.28Å; L176-Y180 WeakPolarHBondContact CD2-OH 3.17Å; L176-Y180 HydrophobicContact CG-CD2 4.44Å; L176-Y180 HydrophobicContact CG-CE1 4.34Å; L176-Y180 HydrophobicContact CG-CE2 3.78Å; L176-Y180 PolarHBondContact O-N 3.35Å |
| 177 | R | 81.5 | Confident | 84.1 | Confident | 171 Ų | 171 | 44.9 Ų | 44.9 | 65% | 0.645 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.1 | -33.7 | 175.4 | -168.6 | 173.4 | -170.2 | 179.9 | 2.1 | 112.9 | A175 A179 R181 | A175-R177 PolarHBondContact O-N 3.19Å; R177-A179 VanDerWaalsContact C-N 3.33Å; R177-R181 WeakPolarHBondContact O-CG 3.48Å; R177-R181 PolarHBondContact O-N 3.39Å |
| 178 | E | 84.7 | Confident | 85 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.6 | -34.9 | 176.3 | -56.2 | 176.1 | 147.2 | 0 | 0 | 110.9 | C81 R82 L173 S174 A175 L176 L182 | C81-E178 HydrophobicContact CB-CB 4.36Å; R82-E178 IonicContact CZ-OE1 3.64Å; R82-E178 IonicContact NH1-OE1 2.72Å; R82-E178 PolarHBondContact NH1-OE1 3.3Å; R82-E178 IonicContact NH1-OE2 3.73Å; L173-E178 WeakPolarHBondContact CA-OE2 3.17Å; L173-E178 HydrophobicContact CB-CB 4.46Å; L173-E178 HydrophobicContact CD2-CB 3.95Å; S174-E178 PolarHBondContact N-OE2 2.87Å; S174-E178 VanDerWaalsContact N-OE2 3.13Å; A175-E178 HydrophobicContact CB-CG 4.1Å; A175-E178 PolarHBondContact N-OE2 2.77Å; A175-E178 WeakPolarHBondContact O-CB 3.21Å; A175-E178 PolarHBondContact O-N 2.8Å; L176-E178 VanDerWaalsContact C-N 3.26Å; L176-E178 PolarHBondContact O-N 3.41Å; E178-L182 PolarHBondContact O-N 2.93Å; E178-L182 VanDerWaalsContact O-N 3.07Å |
| 179 | A | 87.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L125 M129 F140 A175 L176 R177 R181 L182 V183 | L125-A179 HydrophobicContact CD1-CB 3.98Å; M129-A179 HydrophobicContact CG-CB 4.39Å; M129-A179 HydrophobicContact SD-CB 4.05Å; F140-A179 HydrophobicContact CE1-CB 3.71Å; F140-A179 HydrophobicContact CZ-CB 3.62Å; A175-A179 PolarHBondContact O-N 3.02Å; L176-A179 WeakPolarHBondContact O-CA 3.32Å; L176-A179 WeakPolarHBondContact O-CB 3.44Å; L176-A179 PolarHBondContact O-N 3.1Å; L176-A179 VanDerWaalsContact O-N 3.08Å; R177-A179 VanDerWaalsContact C-N 3.33Å; A179-R181 VanDerWaalsContact C-N 3.31Å; A179-R181 PolarHBondContact O-N 3.27Å; A179-L182 PolarHBondContact O-N 3.11Å; A179-L182 VanDerWaalsContact O-N 3.15Å; A179-V183 WeakPolarHBondContact O-CG2 3.49Å; A179-V183 PolarHBondContact O-N 3.05Å |
| 180 | Y | 86.9 | Confident | 86 | Confident | 49 Ų | 49 | 33.4 Ų | 33.4 | 19% | 0.192 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.5 | -43 | 175.9 | -66.4 | -39.6 | 0 | 0 | 0 | 112.6 | M129 L176 L182 V183 S184 L218 T219 D220 | M129-Y180 HydrophobicContact CE-CD1 3.43Å; M129-Y180 VanDerWaalsContact CE-CD1 3.43Å; M129-Y180 HydrophobicContact CE-CE1 3.3Å; L176-Y180 HydrophobicContact CD2-CE2 3.86Å; L176-Y180 VanDerWaalsContact CD2-OH 3.28Å; L176-Y180 WeakPolarHBondContact CD2-OH 3.17Å; L176-Y180 HydrophobicContact CG-CD2 4.44Å; L176-Y180 HydrophobicContact CG-CE1 4.34Å; L176-Y180 HydrophobicContact CG-CE2 3.78Å; L176-Y180 PolarHBondContact O-N 3.35Å; Y180-L182 PolarHBondContact O-N 3.1Å; Y180-V183 PolarHBondContact O-N 3.33Å; Y180-S184 PolarHBondContact O-N 3.47Å; Y180-L218 WeakPolarHBondContact CE1-O 3.15Å; Y180-T219 HydrophobicContact CD1-CG2 4.38Å; Y180-D220 HydrophobicContact CD2-CB 4.13Å; Y180-D220 HydrophobicContact CE2-CB 4.43Å; Y180-D220 HydrophobicContact CG-CB 4.25Å |
| 181 | R | 85.9 | Confident | 86.3 | Confident | 32 Ų | 32 | 30 Ų | 30 | 12% | 0.121 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.5 | -71 | 170.2 | 177.9 | -179.1 | -9.3 | 111.9 | C81 P83 L89 R177 A179 S184 I185 | C81-R181 PolarHBondContact O-NH1 3.43Å; P83-R181 PolarHBondContact O-NH1 3.29Å; P83-R181 PolarHBondContact O-NH2 3.07Å; P83-R181 VanDerWaalsContact O-NH2 3.15Å; L89-R181 HydrophobicContact CD1-CG 4.42Å; L89-R181 HydrophobicContact CD2-CB 4.06Å; L89-R181 HydrophobicContact CD2-CG 4.28Å; R177-R181 WeakPolarHBondContact O-CG 3.48Å; R177-R181 PolarHBondContact O-N 3.39Å; A179-R181 VanDerWaalsContact C-N 3.31Å; A179-R181 PolarHBondContact O-N 3.27Å; R181-S184 PolarHBondContact O-N 2.91Å; R181-S184 PolarHBondContact O-OG 3.14Å; R181-I185 PolarHBondContact O-N 2.97Å; R181-I185 VanDerWaalsContact O-N 3.16Å |
| 182 | L | 88.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 178.4 | -175.9 | 53.1 | 0 | 0 | 0 | 111.6 | I77 L125 W142 L173 E178 A179 Y180 S184 I185 L186 | I77-L182 HydrophobicContact CG1-CD1 4.21Å; I77-L182 HydrophobicContact CG2-CD1 3.82Å; I77-L182 HydrophobicContact CG2-CD2 4.33Å; L125-L182 HydrophobicContact CD2-CB 3.88Å; L125-L182 HydrophobicContact CD2-CD2 3.74Å; L125-L182 HydrophobicContact CD2-CG 3.76Å; W142-L182 HydrophobicContact CH2-CD2 4.05Å; W142-L182 HydrophobicContact CZ3-CD2 3.77Å; L173-L182 HydrophobicContact CD1-CD2 3.84Å; E178-L182 PolarHBondContact O-N 2.93Å; E178-L182 VanDerWaalsContact O-N 3.07Å; A179-L182 PolarHBondContact O-N 3.11Å; A179-L182 VanDerWaalsContact O-N 3.15Å; Y180-L182 PolarHBondContact O-N 3.1Å; L182-S184 VanDerWaalsContact C-N 3.31Å; L182-S184 PolarHBondContact O-N 3.31Å; L182-I185 PolarHBondContact O-N 3.46Å; L182-L186 HydrophobicContact CD1-CD1 3.89Å; L182-L186 HydrophobicContact CD1-CG 3.99Å; L182-L186 HydrophobicContact CG-CD1 3.87Å; L182-L186 HydrophobicContact CG-CG 4.39Å; L182-L186 WeakPolarHBondContact O-CB 3.33Å; L182-L186 VanDerWaalsContact O-CG 3.32Å; L182-L186 WeakPolarHBondContact O-CG 3.28Å; L182-L186 PolarHBondContact O-N 3.19Å |
| 183 | V | 90.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | L122 L125 L126 M129 A179 Y180 I185 L186 S187 A215 T219 | L122-V183 HydrophobicContact CD1-CB 4.3Å; L122-V183 HydrophobicContact CD1-CG1 3.96Å; L122-V183 HydrophobicContact CD1-CG2 4.12Å; L125-V183 HydrophobicContact CD2-CG2 3.54Å; L125-V183 HydrophobicContact CG-CG2 4.21Å; L126-V183 HydrophobicContact CD2-CG1 4.24Å; L126-V183 HydrophobicContact CD2-CG2 3.96Å; L126-V183 HydrophobicContact CG-CG2 4.47Å; M129-V183 HydrophobicContact SD-CG2 3.75Å; A179-V183 WeakPolarHBondContact O-CG2 3.49Å; A179-V183 PolarHBondContact O-N 3.05Å; Y180-V183 PolarHBondContact O-N 3.33Å; V183-I185 VanDerWaalsContact C-N 3.34Å; V183-I185 PolarHBondContact O-N 2.9Å; V183-L186 PolarHBondContact O-N 3.44Å; V183-S187 VanDerWaalsContact O-CB 3.3Å; V183-S187 WeakPolarHBondContact O-CB 3.38Å; V183-S187 PolarHBondContact O-N 3.32Å; V183-S187 PolarHBondContact O-OG 3.04Å; V183-A215 HydrophobicContact CG1-CB 3.86Å; V183-T219 HydrophobicContact CB-CG2 3.91Å; V183-T219 HydrophobicContact CG1-CG2 3.41Å; V183-T219 VanDerWaalsContact CG1-CG2 3.41Å; V183-T219 HydrophobicContact CG2-CG2 4.3Å |
| 184 | S | 88.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.5 | -40.3 | -178.2 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | Y180 R181 L182 Y188 | Y180-S184 PolarHBondContact O-N 3.47Å; R181-S184 PolarHBondContact O-N 2.91Å; R181-S184 PolarHBondContact O-OG 3.14Å; L182-S184 VanDerWaalsContact C-N 3.31Å; L182-S184 PolarHBondContact O-N 3.31Å; S184-Y188 WeakPolarHBondContact O-CB 3.45Å; S184-Y188 PolarHBondContact O-N 3.36Å |
| 185 | I | 88 | Confident | 86.5 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -75 | -42.1 | 178.5 | -63.7 | -178.7 | 0 | 0 | 0 | 111.4 | A80 L89 V92 I96 R181 L182 V183 S187 Y188 T189 | A80-I185 HydrophobicContact CB-CD1 3.07Å; A80-I185 HydrophobicContact CB-CG1 4.48Å; L89-I185 HydrophobicContact CB-CD1 4.12Å; L89-I185 HydrophobicContact CB-CG1 3.95Å; L89-I185 HydrophobicContact CD2-CD1 3.58Å; L89-I185 HydrophobicContact CD2-CG1 3.94Å; L89-I185 HydrophobicContact CG-CD1 4.46Å; V92-I185 HydrophobicContact CB-CD1 4.35Å; V92-I185 HydrophobicContact CG1-CD1 4.16Å; I96-I185 HydrophobicContact CD1-CG2 3.98Å; R181-I185 PolarHBondContact O-N 2.97Å; R181-I185 VanDerWaalsContact O-N 3.16Å; L182-I185 PolarHBondContact O-N 3.46Å; V183-I185 VanDerWaalsContact C-N 3.34Å; V183-I185 PolarHBondContact O-N 2.9Å; I185-S187 VanDerWaalsContact C-N 3.32Å; I185-S187 PolarHBondContact O-N 3.22Å; I185-Y188 PolarHBondContact O-N 2.96Å; I185-T189 HydrophobicContact CG2-CG2 4.17Å; I185-T189 WeakPolarHBondContact O-CB 3.4Å; I185-T189 VanDerWaalsContact O-CG2 3.3Å; I185-T189 WeakPolarHBondContact O-CG2 3.37Å; I185-T189 PolarHBondContact O-N 3.09Å; I185-T189 PolarHBondContact O-OG1 3.28Å |
| 186 | L | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 178.1 | -70.2 | 177 | 0 | 0 | 0 | 110.7 | L118 V121 L122 L182 V183 T189 L190 | L118-L186 HydrophobicContact CD2-CD2 3.83Å; V121-L186 HydrophobicContact CG1-CD1 3.94Å; L122-L186 HydrophobicContact CB-CB 4.26Å; L122-L186 HydrophobicContact CB-CD1 3.93Å; L122-L186 HydrophobicContact CD1-CB 4.03Å; L122-L186 HydrophobicContact CD1-CD1 4.22Å; L122-L186 HydrophobicContact CD2-CB 4.33Å; L122-L186 HydrophobicContact CG-CB 4.43Å; L182-L186 HydrophobicContact CD1-CD1 3.89Å; L182-L186 HydrophobicContact CD1-CG 3.99Å; L182-L186 HydrophobicContact CG-CD1 3.87Å; L182-L186 HydrophobicContact CG-CG 4.39Å; L182-L186 WeakPolarHBondContact O-CB 3.33Å; L182-L186 VanDerWaalsContact O-CG 3.32Å; L182-L186 WeakPolarHBondContact O-CG 3.28Å; L182-L186 PolarHBondContact O-N 3.19Å; V183-L186 PolarHBondContact O-N 3.44Å; L186-T189 WeakPolarHBondContact CA-OG1 3.35Å; L186-T189 PolarHBondContact O-N 3.39Å; L186-T189 PolarHBondContact O-OG1 3.11Å; L186-L190 WeakPolarHBondContact O-CB 3.28Å; L186-L190 WeakPolarHBondContact O-CG 3.12Å; L186-L190 PolarHBondContact O-N 3.08Å |
| 187 | S | 91.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60 | -50.6 | 172.5 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | V183 I185 T189 L190 G191 A230 | V183-S187 VanDerWaalsContact O-CB 3.3Å; V183-S187 WeakPolarHBondContact O-CB 3.38Å; V183-S187 PolarHBondContact O-N 3.32Å; V183-S187 PolarHBondContact O-OG 3.04Å; I185-S187 VanDerWaalsContact C-N 3.32Å; I185-S187 PolarHBondContact O-N 3.22Å; S187-T189 PolarHBondContact O-N 2.83Å; S187-L190 PolarHBondContact O-N 2.95Å; S187-G191 PolarHBondContact O-N 3.03Å; S187-A230 WeakPolarHBondContact O-CB 3.49Å |
| 188 | Y | 88.7 | Confident | 86.6 | Confident | 44 Ų | 44 | 14.8 Ų | 14.8 | 17% | 0.173 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 178.4 | 175.9 | -99.6 | 0 | 0 | 0 | 112.8 | D94 S184 I185 K226 | D94-Y188 PolarHBondContact OD1-OH 2.98Å; S184-Y188 WeakPolarHBondContact O-CB 3.45Å; S184-Y188 PolarHBondContact O-N 3.36Å; I185-Y188 PolarHBondContact O-N 2.96Å; Y188-K226 HydrophobicContact CD2-CD 4.44Å |
| 189 | T | 87.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.1 | -48.1 | 179.5 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | G93 I96 I185 L186 S187 G191 S192 L193 | G93-T189 WeakPolarHBondContact O-CG2 3.19Å; I96-T189 HydrophobicContact CB-CG2 3.74Å; I96-T189 HydrophobicContact CD1-CG2 4.33Å; I96-T189 HydrophobicContact CG2-CG2 3.75Å; I185-T189 HydrophobicContact CG2-CG2 4.17Å; I185-T189 WeakPolarHBondContact O-CB 3.4Å; I185-T189 VanDerWaalsContact O-CG2 3.3Å; I185-T189 WeakPolarHBondContact O-CG2 3.37Å; I185-T189 PolarHBondContact O-N 3.09Å; I185-T189 PolarHBondContact O-OG1 3.28Å; L186-T189 WeakPolarHBondContact CA-OG1 3.35Å; L186-T189 PolarHBondContact O-N 3.39Å; L186-T189 PolarHBondContact O-OG1 3.11Å; S187-T189 PolarHBondContact O-N 2.83Å; T189-G191 VanDerWaalsContact C-N 3.33Å; T189-G191 PolarHBondContact O-N 3Å; T189-S192 PolarHBondContact O-N 2.93Å; T189-S192 PolarHBondContact O-OG 3.23Å; T189-L193 WeakPolarHBondContact O-CG 3.45Å |
| 190 | L | 89.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.2 | -37.1 | -179.4 | -72.2 | 172 | 0 | 0 | 0 | 112.4 | L118 V119 L122 L186 S187 S192 L193 I194 F197 | L118-L190 HydrophobicContact CB-CD2 4.31Å; V119-L190 HydrophobicContact CG2-CD1 4.33Å; V119-L190 HydrophobicContact CG2-CD2 3.6Å; L122-L190 HydrophobicContact CB-CD1 4.35Å; L122-L190 HydrophobicContact CD2-CD1 3.49Å; L122-L190 VanDerWaalsContact CD2-CD1 3.49Å; L186-L190 WeakPolarHBondContact O-CB 3.28Å; L186-L190 WeakPolarHBondContact O-CG 3.12Å; L186-L190 PolarHBondContact O-N 3.08Å; S187-L190 PolarHBondContact O-N 2.95Å; L190-S192 VanDerWaalsContact C-N 3.28Å; L190-S192 PolarHBondContact O-N 3.32Å; L190-L193 PolarHBondContact O-N 3.27Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 2.83Å; L190-F197 HydrophobicContact CD2-CE2 3.95Å; L190-F197 HydrophobicContact CD2-CZ 4.2Å |
| 191 | G | 86 | Confident | 86 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -51.3 | -46.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S187 T189 L193 I194 | S187-G191 PolarHBondContact O-N 3.03Å; T189-G191 VanDerWaalsContact C-N 3.33Å; T189-G191 PolarHBondContact O-N 3Å; G191-L193 VanDerWaalsContact C-N 3.27Å; G191-L193 PolarHBondContact O-N 3.4Å; G191-I194 PolarHBondContact O-N 3.28Å |
| 192 | S | 83.6 | Confident | 85.8 | Confident | 40 Ų | 40 | 24 Ų | 24 | 28% | 0.28 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -69.5 | -20.9 | 178 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | R97 T189 L190 | R97-S192 VanDerWaalsContact CD-OG 3.26Å; R97-S192 WeakPolarHBondContact CD-OG 3.48Å; T189-S192 PolarHBondContact O-N 2.93Å; T189-S192 PolarHBondContact O-OG 3.23Å; L190-S192 VanDerWaalsContact C-N 3.28Å; L190-S192 PolarHBondContact O-N 3.32Å |
| 193 | L | 85.8 | Confident | 85.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -91.9 | -11.5 | -177.5 | -60.1 | 176.9 | 0 | 0 | 0 | 112.9 | M100 Y111 T189 L190 G191 A195 S196 F197 | M100-L193 HydrophobicContact CB-CD1 4.28Å; M100-L193 HydrophobicContact CB-CD2 3.95Å; M100-L193 HydrophobicContact CE-CD1 3.99Å; M100-L193 HydrophobicContact CG-CD1 4.14Å; Y111-L193 HydrophobicContact CE2-CD2 4.32Å; T189-L193 WeakPolarHBondContact O-CG 3.45Å; L190-L193 PolarHBondContact O-N 3.27Å; G191-L193 VanDerWaalsContact C-N 3.27Å; G191-L193 PolarHBondContact O-N 3.4Å; L193-A195 VanDerWaalsContact C-N 3.27Å; L193-A195 PolarHBondContact O-N 2.96Å; L193-S196 PolarHBondContact O-N 2.95Å; L193-S196 PolarHBondContact O-OG 3.2Å; L193-F197 HydrophobicContact CB-CD2 3.99Å; L193-F197 HydrophobicContact CB-CE2 3.73Å; L193-F197 VanDerWaalsContact O-CD2 3.27Å; L193-F197 WeakPolarHBondContact O-CD2 3.4Å; L193-F197 PolarHBondContact O-N 3.02Å |
| 194 | I | 85.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.1 | -39.9 | -176.5 | -70.9 | 166.9 | 0 | 0 | 0 | 112.5 | L190 G191 S196 F197 H198 V205 I208 F209 L212 A230 L238 | L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 2.83Å; G191-I194 PolarHBondContact O-N 3.28Å; I194-S196 VanDerWaalsContact C-N 3.32Å; I194-S196 PolarHBondContact O-N 2.89Å; I194-F197 PolarHBondContact O-N 3.03Å; I194-H198 PolarHBondContact O-N 2.83Å; I194-V205 HydrophobicContact CG2-CG1 4.34Å; I194-I208 HydrophobicContact CD1-CG2 4.34Å; I194-I208 HydrophobicContact CG1-CG2 4.25Å; I194-F209 HydrophobicContact CD1-CE2 4.39Å; I194-F209 HydrophobicContact CD1-CZ 4.29Å; I194-F209 HydrophobicContact CG2-CE2 4.05Å; I194-F209 HydrophobicContact CG2-CZ 4.4Å; I194-L212 HydrophobicContact CD1-CD1 4.24Å; I194-A230 WeakPolarHBondContact CD1-O 3.39Å; I194-L238 HydrophobicContact CG2-CD1 4.46Å; I194-L238 HydrophobicContact CG2-CG 4.49Å |
| 195 | A | 82.1 | Confident | 85.1 | Confident | 36 Ų | 36 | 30 Ų | 30 | 30% | 0.298 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.5 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L193 H198 A199 A237 L241 | L193-A195 VanDerWaalsContact C-N 3.27Å; L193-A195 PolarHBondContact O-N 2.96Å; A195-H198 WeakPolarHBondContact O-CB 3.5Å; A195-H198 PolarHBondContact O-N 3.42Å; A195-A199 PolarHBondContact O-N 3Å; A195-A237 HydrophobicContact CB-CB 4.03Å; A195-L241 HydrophobicContact CB-CD1 4.07Å |
| 196 | S | 82.8 | Confident | 85 | Confident | 13 Ų | 13 | 33.9 Ų | 33.9 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.9 | -36.6 | 177.1 | 73 | 0 | 0 | 0 | 0 | 112.2 | Y111 L193 I194 H198 A199 Y200 | Y111-S196 WeakPolarHBondContact OH-CB 3.21Å; Y111-S196 PolarHBondContact OH-OG 3.46Å; L193-S196 PolarHBondContact O-N 2.95Å; L193-S196 PolarHBondContact O-OG 3.2Å; I194-S196 VanDerWaalsContact C-N 3.32Å; I194-S196 PolarHBondContact O-N 2.89Å; S196-H198 VanDerWaalsContact C-N 3.27Å; S196-H198 PolarHBondContact O-N 3.28Å; S196-A199 PolarHBondContact O-N 3.44Å; S196-A199 VanDerWaalsContact O-N 3.13Å; S196-Y200 WeakPolarHBondContact O-CD2 3.29Å; S196-Y200 PolarHBondContact O-N 2.99Å |
| 197 | F | 82.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 172.9 | -76.3 | -65.7 | 0 | 0 | 0 | 110.8 | A115 V119 L190 L193 I194 A199 Y200 L201 V204 V205 I208 | A115-F197 HydrophobicContact CB-CE1 3.5Å; A115-F197 VanDerWaalsContact CB-CE1 3.5Å; A115-F197 HydrophobicContact CB-CZ 3.49Å; A115-F197 VanDerWaalsContact CB-CZ 3.49Å; V119-F197 HydrophobicContact CG2-CE1 4.49Å; V119-F197 HydrophobicContact CG2-CE2 4.41Å; V119-F197 HydrophobicContact CG2-CZ 3.84Å; L190-F197 HydrophobicContact CD2-CE2 3.95Å; L190-F197 HydrophobicContact CD2-CZ 4.2Å; L193-F197 HydrophobicContact CB-CD2 3.99Å; L193-F197 HydrophobicContact CB-CE2 3.73Å; L193-F197 VanDerWaalsContact O-CD2 3.27Å; L193-F197 WeakPolarHBondContact O-CD2 3.4Å; L193-F197 PolarHBondContact O-N 3.02Å; I194-F197 PolarHBondContact O-N 3.03Å; F197-A199 VanDerWaalsContact C-N 3.32Å; F197-A199 PolarHBondContact O-N 3.22Å; F197-Y200 PolarHBondContact O-N 3.47Å; F197-L201 HydrophobicContact CD1-CB 4.44Å; F197-L201 CarbonylContact O-C 3.51Å; F197-L201 VanDerWaalsContact O-CA 3.23Å; F197-L201 WeakPolarHBondContact O-CA 3.38Å; F197-L201 PolarHBondContact O-N 3.48Å; F197-L201 VanDerWaalsContact O-O 3.1Å; F197-V204 HydrophobicContact CD1-CG1 4.48Å; F197-V205 HydrophobicContact CB-CG2 3.91Å; F197-I208 HydrophobicContact CB-CD1 4.33Å; F197-I208 HydrophobicContact CD1-CD1 4.16Å; F197-I208 HydrophobicContact CD2-CD1 3.38Å; F197-I208 HydrophobicContact CE1-CD1 4.25Å; F197-I208 HydrophobicContact CE2-CD1 3.5Å; F197-I208 HydrophobicContact CG-CD1 3.72Å; F197-I208 HydrophobicContact CZ-CD1 3.93Å |
| 198 | H | 82 | Confident | 84.7 | Confident | 57 Ų | 57 | 37.5 Ų | 37.5 | 26% | 0.264 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 174.4 | -177.1 | -93.1 | 0 | 0 | 0 | 112.3 | I194 A195 S196 V205 L238 | I194-H198 PolarHBondContact O-N 2.83Å; A195-H198 WeakPolarHBondContact O-CB 3.5Å; A195-H198 PolarHBondContact O-N 3.42Å; S196-H198 VanDerWaalsContact C-N 3.27Å; S196-H198 PolarHBondContact O-N 3.28Å; H198-V205 HydrophobicContact CB-CG2 4.22Å; H198-L238 HydrophobicContact CB-CD2 3.75Å; H198-L238 WeakPolarHBondContact CD2-CD2 3.46Å; H198-L238 VanDerWaalsContact CG-CD2 3.48Å |
| 199 | A | 80.9 | Confident | 84.8 | Confident | 70 Ų | 70 | 35.4 Ų | 35.4 | 58% | 0.579 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -68.7 | -40.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A195 S196 F197 | A195-A199 PolarHBondContact O-N 3Å; S196-A199 PolarHBondContact O-N 3.44Å; S196-A199 VanDerWaalsContact O-N 3.13Å; F197-A199 VanDerWaalsContact C-N 3.32Å; F197-A199 PolarHBondContact O-N 3.22Å |
| 200 | Y | 84.3 | Confident | 84.9 | Confident | 101 Ų | 101 | 40.6 Ų | 40.6 | 40% | 0.396 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -109.7 | -28.6 | -171.8 | -51.6 | -67.6 | 0 | 0 | 0 | 115.2 | E104 L108 Y111 L112 S196 F197 | E104-Y200 HydrophobicContact CG-CE2 4.09Å; E104-Y200 VanDerWaalsContact OE1-CE2 3.27Å; E104-Y200 WeakPolarHBondContact OE1-CE2 3.42Å; E104-Y200 PolarHBondContact OE1-OH 3.43Å; E104-Y200 VanDerWaalsContact OE1-OH 3.11Å; L108-Y200 HydrophobicContact CD1-CD1 4.09Å; L108-Y200 HydrophobicContact CD1-CD2 4.15Å; L108-Y200 HydrophobicContact CD1-CE1 3.84Å; L108-Y200 HydrophobicContact CD1-CE2 3.93Å; L108-Y200 HydrophobicContact CD1-CG 4.25Å; L108-Y200 HydrophobicContact CD2-CD1 4.19Å; L108-Y200 HydrophobicContact CD2-CE1 4.09Å; Y111-Y200 HydrophobicContact CE1-CD2 4.27Å; L112-Y200 HydrophobicContact CD2-CD2 4.43Å; L112-Y200 HydrophobicContact CD2-CG 4.23Å; S196-Y200 WeakPolarHBondContact O-CD2 3.29Å; S196-Y200 PolarHBondContact O-N 2.99Å; F197-Y200 PolarHBondContact O-N 3.47Å |
| 201 | L | 81.8 | Confident | 85 | Confident | 45 Ų | 45 | 40.7 Ų | 40.7 | 24% | 0.236 | 23% | 0.228 | C | C | . | . | trans | -143 | 60.9 | -172.7 | -84.5 | 163.4 | 0 | 0 | 0 | 111.8 | L112 V116 F197 S203 V204 | L112-L201 HydrophobicContact CB-CD1 4.31Å; L112-L201 HydrophobicContact CD2-CD1 3.56Å; L112-L201 HydrophobicContact CD2-CG 4.17Å; L112-L201 HydrophobicContact CG-CD1 4.43Å; V116-L201 HydrophobicContact CG2-CD1 3.95Å; F197-L201 HydrophobicContact CD1-CB 4.44Å; F197-L201 CarbonylContact O-C 3.51Å; F197-L201 VanDerWaalsContact O-CA 3.23Å; F197-L201 WeakPolarHBondContact O-CA 3.38Å; F197-L201 PolarHBondContact O-N 3.48Å; F197-L201 VanDerWaalsContact O-O 3.1Å; L201-S203 PolarHBondContact O-N 3.37Å; L201-S203 VanDerWaalsContact O-N 3.08Å; L201-V204 HydrophobicContact CB-CB 4.39Å; L201-V204 HydrophobicContact CB-CG2 3.97Å; L201-V204 HydrophobicContact CD2-CG2 4.16Å; L201-V204 HydrophobicContact CG-CG2 4.48Å; L201-V204 PolarHBondContact O-N 3.15Å | ||
| 202 | P | 80.9 | Confident | 85.3 | Confident | 82 Ų | 82 | 40.6 Ų | 40.6 | 53% | 0.532 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.4 | -27.2 | -173.2 | 20.5 | -31.9 | 0 | 0 | 0 | 113.9 | V204 V205 | P202-V204 PolarHBondContact O-N 2.88Å; P202-V205 WeakPolarHBondContact O-CB 3.34Å; P202-V205 PolarHBondContact O-N 3.42Å |
| 203 | S | 81 | Confident | 85.7 | Confident | 97 Ų | 97 | 39.3 Ų | 39.3 | 68% | 0.678 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.2 | -25.2 | 176 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | L201 | L201-S203 PolarHBondContact O-N 3.37Å; L201-S203 VanDerWaalsContact O-N 3.08Å |
| 204 | V | 84.5 | Confident | 85.9 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 16% | 0.158 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -82.5 | -25.5 | -178.3 | -175 | 0 | 0 | 0 | 0 | 111.1 | F197 L201 P202 Q206 H207 I208 | F197-V204 HydrophobicContact CD1-CG1 4.48Å; L201-V204 HydrophobicContact CB-CB 4.39Å; L201-V204 HydrophobicContact CB-CG2 3.97Å; L201-V204 HydrophobicContact CD2-CG2 4.16Å; L201-V204 HydrophobicContact CG-CG2 4.48Å; L201-V204 PolarHBondContact O-N 3.15Å; P202-V204 PolarHBondContact O-N 2.88Å; V204-Q206 PolarHBondContact O-N 3.16Å; V204-H207 WeakPolarHBondContact O-CA 3.37Å; V204-H207 WeakPolarHBondContact O-CB 3.16Å; V204-H207 PolarHBondContact O-N 2.74Å; V204-I208 HydrophobicContact CG1-CD1 3.83Å; V204-I208 HydrophobicContact CG1-CG1 3.99Å; V204-I208 WeakPolarHBondContact O-CG1 3.3Å; V204-I208 PolarHBondContact O-N 2.99Å |
| 205 | V | 87 | Confident | 86.3 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.7 | -50.8 | -176.3 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | I194 F197 H198 P202 H207 I208 F209 L238 T251 | I194-V205 HydrophobicContact CG2-CG1 4.34Å; F197-V205 HydrophobicContact CB-CG2 3.91Å; H198-V205 HydrophobicContact CB-CG2 4.22Å; P202-V205 WeakPolarHBondContact O-CB 3.34Å; P202-V205 PolarHBondContact O-N 3.42Å; V205-H207 PolarHBondContact O-N 2.67Å; V205-I208 WeakPolarHBondContact O-CB 3.48Å; V205-I208 PolarHBondContact O-N 2.83Å; V205-I208 VanDerWaalsContact O-N 3.09Å; V205-F209 HydrophobicContact CG1-CD2 3.83Å; V205-F209 HydrophobicContact CG1-CE2 3.67Å; V205-F209 WeakPolarHBondContact O-CD2 3.25Å; V205-F209 PolarHBondContact O-N 3.45Å; V205-L238 HydrophobicContact CG1-CD1 4.1Å; V205-T251 HydrophobicContact CG1-CG2 4.23Å |
| 206 | Q | 85.5 | Confident | 86.7 | Confident | 86 Ų | 86 | 39.9 Ų | 39.9 | 40% | 0.402 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.6 | -34.5 | 179.3 | -164.4 | -172.1 | -8.3 | 0 | 0 | 112.2 | V204 R210 T250 Y254 | V204-Q206 PolarHBondContact O-N 3.16Å; Q206-R210 PolarHBondContact O-N 3.26Å; Q206-T250 VanDerWaalsContact NE2-CB 3.28Å; Q206-T250 PolarHBondContact NE2-OG1 2.87Å; Q206-Y254 HydrophobicContact CG-CE2 4.11Å |
| 207 | H | 87.1 | Confident | 87 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.5 | -40.7 | 176.8 | -159.8 | 71.8 | 0 | 0 | 0 | 111.6 | V204 V205 R210 I211 | V204-H207 WeakPolarHBondContact O-CA 3.37Å; V204-H207 WeakPolarHBondContact O-CB 3.16Å; V204-H207 PolarHBondContact O-N 2.74Å; V205-H207 PolarHBondContact O-N 2.67Å; H207-R210 PolarHBondContact CE1-NH2 3.24Å; H207-R210 WeakPolarHBondContact O-CB 3.32Å; H207-R210 PolarHBondContact O-N 2.94Å; H207-I211 WeakPolarHBondContact CD2-CD1 3.38Å; H207-I211 WeakPolarHBondContact O-CD1 3.34Å; H207-I211 WeakPolarHBondContact O-CG1 3.39Å; H207-I211 PolarHBondContact O-N 3.1Å |
| 208 | I | 90.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 176.1 | -67.3 | 165.9 | 0 | 0 | 0 | 110.6 | V119 I194 F197 V204 V205 R210 I211 L212 | V119-I208 HydrophobicContact CG1-CG1 4.08Å; V119-I208 HydrophobicContact CG2-CD1 3.95Å; V119-I208 HydrophobicContact CG2-CG1 3.82Å; I194-I208 HydrophobicContact CD1-CG2 4.34Å; I194-I208 HydrophobicContact CG1-CG2 4.25Å; F197-I208 HydrophobicContact CB-CD1 4.33Å; F197-I208 HydrophobicContact CD1-CD1 4.16Å; F197-I208 HydrophobicContact CD2-CD1 3.38Å; F197-I208 HydrophobicContact CE1-CD1 4.25Å; F197-I208 HydrophobicContact CE2-CD1 3.5Å; F197-I208 HydrophobicContact CG-CD1 3.72Å; F197-I208 HydrophobicContact CZ-CD1 3.93Å; V204-I208 HydrophobicContact CG1-CD1 3.83Å; V204-I208 HydrophobicContact CG1-CG1 3.99Å; V204-I208 WeakPolarHBondContact O-CG1 3.3Å; V204-I208 PolarHBondContact O-N 2.99Å; V205-I208 WeakPolarHBondContact O-CB 3.48Å; V205-I208 PolarHBondContact O-N 2.83Å; V205-I208 VanDerWaalsContact O-N 3.09Å; I208-R210 VanDerWaalsContact C-N 3.29Å; I208-R210 PolarHBondContact O-N 3.16Å; I208-I211 PolarHBondContact O-N 3.17Å; I208-I211 VanDerWaalsContact O-N 3.14Å; I208-L212 HydrophobicContact CG2-CD1 3.8Å; I208-L212 HydrophobicContact CG2-CG 4.21Å; I208-L212 WeakPolarHBondContact O-CG 3.46Å; I208-L212 PolarHBondContact O-N 3.39Å |
| 209 | F | 90 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 177.4 | -84.8 | -82.6 | 0 | 0 | 0 | 112.3 | I194 V205 L212 C213 I231 T235 L238 T251 Y254 | I194-F209 HydrophobicContact CD1-CE2 4.39Å; I194-F209 HydrophobicContact CD1-CZ 4.29Å; I194-F209 HydrophobicContact CG2-CE2 4.05Å; I194-F209 HydrophobicContact CG2-CZ 4.4Å; V205-F209 HydrophobicContact CG1-CD2 3.83Å; V205-F209 HydrophobicContact CG1-CE2 3.67Å; V205-F209 WeakPolarHBondContact O-CD2 3.25Å; V205-F209 PolarHBondContact O-N 3.45Å; F209-L212 PolarHBondContact O-N 3.24Å; F209-C213 PolarHBondContact O-N 3.23Å; F209-I231 HydrophobicContact CD1-CG1 4.26Å; F209-I231 HydrophobicContact CD1-CG2 4.12Å; F209-I231 HydrophobicContact CE1-CB 4.36Å; F209-I231 HydrophobicContact CE1-CG2 3.95Å; F209-T235 HydrophobicContact CE1-CG2 3.75Å; F209-T235 HydrophobicContact CZ-CG2 4.02Å; F209-L238 HydrophobicContact CE2-CD1 3.78Å; F209-L238 HydrophobicContact CZ-CD1 4.03Å; F209-T251 HydrophobicContact CB-CG2 4.42Å; F209-T251 HydrophobicContact CD1-CG2 4.45Å; F209-T251 HydrophobicContact CD2-CG2 3.24Å; F209-T251 HydrophobicContact CE2-CG2 3.45Å; F209-T251 VanDerWaalsContact CE2-CG2 3.45Å; F209-T251 HydrophobicContact CG-CG2 3.8Å; F209-T251 HydrophobicContact CZ-CG2 4.15Å; F209-Y254 HydrophobicContact CB-CD2 3.49Å; F209-Y254 VanDerWaalsContact CB-CD2 3.49Å; F209-Y254 HydrophobicContact CB-CE2 4.17Å; F209-Y254 HydrophobicContact CB-CG 3.84Å; F209-Y254 HydrophobicContact CG-CD2 4.43Å |
| 210 | R | 90 | Very high | 87.6 | Confident | 110 Ų | 110 | 43.1 Ų | 43.1 | 42% | 0.415 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 174.4 | -168.7 | -176.7 | 75.7 | 156.8 | 8.7 | 112.1 | Q206 H207 I208 L212 C213 I214 Y254 | Q206-R210 PolarHBondContact O-N 3.26Å; H207-R210 PolarHBondContact CE1-NH2 3.24Å; H207-R210 WeakPolarHBondContact O-CB 3.32Å; H207-R210 PolarHBondContact O-N 2.94Å; I208-R210 VanDerWaalsContact C-N 3.29Å; I208-R210 PolarHBondContact O-N 3.16Å; R210-L212 VanDerWaalsContact C-N 3.35Å; R210-C213 PolarHBondContact O-N 3.38Å; R210-I214 HydrophobicContact CG-CD1 4.48Å; R210-I214 WeakPolarHBondContact O-CG1 3.35Å; R210-I214 PolarHBondContact O-N 3.28Å; R210-I214 VanDerWaalsContact O-N 3.14Å; R210-Y254 HydrophobicContact CB-CE1 3.82Å; R210-Y254 HydrophobicContact CB-CE2 4.45Å; R210-Y254 HydrophobicContact CG-CE1 3.94Å |
| 211 | I | 90.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 178.6 | -69.1 | 164.4 | 0 | 0 | 0 | 110.3 | V119 L122 N123 L126 H207 I208 C213 I214 A215 | V119-I211 HydrophobicContact CG1-CD1 3.64Å; L122-I211 HydrophobicContact CB-CG2 4.4Å; L122-I211 HydrophobicContact CD2-CG2 3.63Å; L122-I211 HydrophobicContact CG-CG2 3.65Å; N123-I211 HydrophobicContact CB-CD1 3.79Å; N123-I211 HydrophobicContact CB-CG1 4.2Å; L126-I211 HydrophobicContact CD1-CG2 3.59Å; L126-I211 WeakPolarHBondContact CD1-O 3.45Å; H207-I211 WeakPolarHBondContact CD2-CD1 3.38Å; H207-I211 WeakPolarHBondContact O-CD1 3.34Å; H207-I211 WeakPolarHBondContact O-CG1 3.39Å; H207-I211 PolarHBondContact O-N 3.1Å; I208-I211 PolarHBondContact O-N 3.17Å; I208-I211 VanDerWaalsContact O-N 3.14Å; I211-C213 PolarHBondContact O-N 2.82Å; I211-I214 WeakPolarHBondContact O-CB 2.99Å; I211-I214 PolarHBondContact O-N 3.33Å; I211-A215 PolarHBondContact O-N 3.17Å |
| 212 | L | 92.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -36.8 | 177.8 | -69.5 | 172.9 | 0 | 0 | 0 | 112.3 | L122 I194 I208 F209 R210 I214 A215 V216 A230 I231 | L122-L212 HydrophobicContact CD2-CD2 4.34Å; I194-L212 HydrophobicContact CD1-CD1 4.24Å; I208-L212 HydrophobicContact CG2-CD1 3.8Å; I208-L212 HydrophobicContact CG2-CG 4.21Å; I208-L212 WeakPolarHBondContact O-CG 3.46Å; I208-L212 PolarHBondContact O-N 3.39Å; F209-L212 PolarHBondContact O-N 3.24Å; R210-L212 VanDerWaalsContact C-N 3.35Å; L212-I214 VanDerWaalsContact C-N 3.33Å; L212-I214 PolarHBondContact O-N 3.18Å; L212-A215 VanDerWaalsContact O-CB 3.32Å; L212-A215 WeakPolarHBondContact O-CB 3.41Å; L212-A215 PolarHBondContact O-N 3.37Å; L212-A215 VanDerWaalsContact O-N 3.15Å; L212-V216 WeakPolarHBondContact O-CG2 3.46Å; L212-V216 PolarHBondContact O-N 3.35Å; L212-A230 HydrophobicContact CD1-CB 3.82Å; L212-A230 HydrophobicContact CD2-CB 4.02Å; L212-I231 HydrophobicContact CB-CD1 3.89Å; L212-I231 HydrophobicContact CB-CG1 3.69Å; L212-I231 HydrophobicContact CD1-CG1 4.03Å |
| 213 | C | 91.8 | Very high | 88 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 9% | 0.088 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 172.4 | -79.3 | 0 | 0 | 0 | 0 | 112.6 | F209 R210 I211 A215 V216 E217 Y254 | F209-C213 PolarHBondContact O-N 3.23Å; R210-C213 PolarHBondContact O-N 3.38Å; I211-C213 PolarHBondContact O-N 2.82Å; C213-A215 VanDerWaalsContact C-N 3.28Å; C213-A215 PolarHBondContact O-N 2.75Å; C213-V216 WeakPolarHBondContact O-CB 3.3Å; C213-V216 PolarHBondContact O-N 3.34Å; C213-E217 PolarHBondContact O-N 2.99Å; C213-Y254 HydrophobicContact CB-CD1 4.17Å; C213-Y254 VanDerWaalsContact SG-CB 3.51Å; C213-Y254 VanDerWaalsContact SG-CD1 3.56Å; C213-Y254 PolarHBondContact SG-O 3.48Å |
| 214 | I | 91.1 | Very high | 88.5 | Confident | 47 Ų | 47 | 29.9 Ų | 29.9 | 24% | 0.241 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.3 | -37.3 | 174 | -63.9 | 163.9 | 0 | 0 | 0 | 110.2 | L126 R210 I211 L212 E217 L218 | L126-I214 HydrophobicContact CB-CG2 4.26Å; R210-I214 HydrophobicContact CG-CD1 4.48Å; R210-I214 WeakPolarHBondContact O-CG1 3.35Å; R210-I214 PolarHBondContact O-N 3.28Å; R210-I214 VanDerWaalsContact O-N 3.14Å; I211-I214 WeakPolarHBondContact O-CB 2.99Å; I211-I214 PolarHBondContact O-N 3.33Å; L212-I214 VanDerWaalsContact C-N 3.33Å; L212-I214 PolarHBondContact O-N 3.18Å; I214-E217 WeakPolarHBondContact O-CB 3.42Å; I214-E217 PolarHBondContact O-N 2.89Å; I214-L218 HydrophobicContact CG2-CD1 3.66Å; I214-L218 HydrophobicContact CG2-CG 4.27Å; I214-L218 PolarHBondContact O-N 3.11Å; I214-L218 VanDerWaalsContact O-N 3.08Å |
| 215 | A | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L126 V183 I211 L212 C213 E217 L218 T219 A227 | L126-A215 HydrophobicContact CD1-CB 3.91Å; L126-A215 HydrophobicContact CD2-CB 4.01Å; V183-A215 HydrophobicContact CG1-CB 3.86Å; I211-A215 PolarHBondContact O-N 3.17Å; L212-A215 VanDerWaalsContact O-CB 3.32Å; L212-A215 WeakPolarHBondContact O-CB 3.41Å; L212-A215 PolarHBondContact O-N 3.37Å; L212-A215 VanDerWaalsContact O-N 3.15Å; C213-A215 VanDerWaalsContact C-N 3.28Å; C213-A215 PolarHBondContact O-N 2.75Å; A215-E217 PolarHBondContact O-N 3.16Å; A215-L218 PolarHBondContact O-N 3.01Å; A215-T219 WeakPolarHBondContact O-CB 3.49Å; A215-T219 VanDerWaalsContact O-CG2 3.25Å; A215-T219 WeakPolarHBondContact O-CG2 3.47Å; A215-T219 PolarHBondContact O-N 3.35Å; A215-T219 VanDerWaalsContact O-N 3.14Å; A215-T219 PolarHBondContact O-OG1 3.2Å; A215-A227 HydrophobicContact CB-CB 3.82Å |
| 216 | V | 91.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.6 | -33.1 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | L212 C213 K224 A227 I231 A258 L261 V262 | L212-V216 WeakPolarHBondContact O-CG2 3.46Å; L212-V216 PolarHBondContact O-N 3.35Å; C213-V216 WeakPolarHBondContact O-CB 3.3Å; C213-V216 PolarHBondContact O-N 3.34Å; V216-K224 WeakPolarHBondContact O-CD 3.48Å; V216-K224 WeakPolarHBondContact O-CG 3.15Å; V216-K224 PolarHBondContact O-NZ 2.94Å; V216-A227 HydrophobicContact CG2-CB 3.56Å; V216-I231 HydrophobicContact CG2-CD1 4.2Å; V216-A258 HydrophobicContact CG2-CB 4.35Å; V216-L261 HydrophobicContact CG1-CB 4.13Å; V216-V262 HydrophobicContact CG1-CG2 3.52Å |
| 217 | E | 88.7 | Confident | 89.2 | Confident | 123 Ų | 123 | 25.9 Ų | 25.9 | 58% | 0.575 | 12% | 0.121 | S | C | * | . | H | α-helix | trans | -73.8 | -49 | 178.5 | -166.1 | 173.9 | 179.2 | 0 | 0 | 112.3 | C213 I214 A215 K224 L261 | C213-E217 PolarHBondContact O-N 2.99Å; I214-E217 WeakPolarHBondContact O-CB 3.42Å; I214-E217 PolarHBondContact O-N 2.89Å; A215-E217 PolarHBondContact O-N 3.16Å; E217-K224 PolarHBondContact O-NZ 3.23Å; E217-L261 HydrophobicContact CB-CD1 4.45Å |
| 218 | L | 87.1 | Confident | 89.5 | Confident | 26 Ų | 26 | 22.3 Ų | 22.3 | 14% | 0.136 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -90.9 | -17 | -166.3 | -60.6 | 176.2 | 0 | 0 | 0 | 116 | L126 M129 D133 Y180 I214 A215 | L126-L218 HydrophobicContact CD2-CD1 4.47Å; M129-L218 HydrophobicContact CB-CD1 4.36Å; D133-L218 WeakPolarHBondContact OD2-CD2 3.33Å; Y180-L218 WeakPolarHBondContact CE1-O 3.15Å; I214-L218 HydrophobicContact CG2-CD1 3.66Å; I214-L218 HydrophobicContact CG2-CG 4.27Å; I214-L218 PolarHBondContact O-N 3.11Å; I214-L218 VanDerWaalsContact O-N 3.08Å; A215-L218 PolarHBondContact O-N 3.01Å |
| 219 | T | 87 | Confident | 89.5 | Confident | 6 Ų | 6 | 23.4 Ų | 23.4 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -90.9 | 169.6 | -172.2 | 62.8 | 0 | 0 | 0 | 0 | 114.8 | M129 Y180 V183 A215 G223 K224 | M129-T219 HydrophobicContact CE-CG2 4.45Å; Y180-T219 HydrophobicContact CD1-CG2 4.38Å; V183-T219 HydrophobicContact CB-CG2 3.91Å; V183-T219 HydrophobicContact CG1-CG2 3.41Å; V183-T219 VanDerWaalsContact CG1-CG2 3.41Å; V183-T219 HydrophobicContact CG2-CG2 4.3Å; A215-T219 WeakPolarHBondContact O-CB 3.49Å; A215-T219 VanDerWaalsContact O-CG2 3.25Å; A215-T219 WeakPolarHBondContact O-CG2 3.47Å; A215-T219 PolarHBondContact O-N 3.35Å; A215-T219 VanDerWaalsContact O-N 3.14Å; A215-T219 PolarHBondContact O-OG1 3.2Å; T219-G223 WeakPolarHBondContact OG1-CA 3.04Å; T219-K224 WeakPolarHBondContact O-CE 3.39Å; T219-K224 PolarHBondContact O-NZ 2.85Å; T219-K224 PolarHBondContact OG1-N 2.9Å |
| 220 | D | 84.7 | Confident | 89.6 | Confident | 55 Ų | 55 | 23.4 Ų | 23.4 | 29% | 0.294 | 11% | 0.111 | S | C | . | . | trans | -65.8 | 172.7 | 166.4 | 65.2 | -6.6 | 0 | 0 | 0 | 113.4 | Y180 H222 G223 K224 | Y180-D220 HydrophobicContact CD2-CB 4.13Å; Y180-D220 HydrophobicContact CE2-CB 4.43Å; Y180-D220 HydrophobicContact CG-CB 4.25Å; D220-H222 VanDerWaalsContact C-N 3.33Å; D220-H222 PolarHBondContact O-N 2.87Å; D220-G223 CarbonylContact O-C 3.6Å; D220-G223 WeakPolarHBondContact O-CA 3.26Å; D220-G223 PolarHBondContact O-N 3.1Å; D220-G223 WeakPolarHBondContact OD1-CA 3.19Å; D220-G223 PolarHBondContact OD1-N 3.02Å; D220-K224 VanDerWaalsContact O-CG 3.32Å; D220-K224 WeakPolarHBondContact O-CG 3.45Å; D220-K224 PolarHBondContact O-N 3.32Å | ||
| 221 | V | 85.3 | Confident | 89.6 | Confident | 9 Ų | 9 | 18.2 Ų | 18.2 | 6% | 0.055 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -52.5 | -48.6 | -175.9 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | K224 Q225 F265 E285 L289 | V221-K224 PolarHBondContact O-N 3.07Å; V221-Q225 PolarHBondContact O-N 3Å; V221-F265 HydrophobicContact CG2-CE1 4.1Å; V221-F265 HydrophobicContact CG2-CZ 3.91Å; V221-E285 HydrophobicContact CB-CB 4.49Å; V221-E285 HydrophobicContact CG1-CB 3.88Å; V221-L289 HydrophobicContact CG1-CB 4.5Å; V221-L289 HydrophobicContact CG1-CD2 4.1Å |
| 222 | H | 84 | Confident | 89.7 | Confident | 20 Ų | 20 | 20.5 Ų | 20.5 | 9% | 0.093 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.2 | -178.3 | -99.3 | 0 | 0 | 0 | 112.5 | D220 K224 Q225 K226 | D220-H222 VanDerWaalsContact C-N 3.33Å; D220-H222 PolarHBondContact O-N 2.87Å; H222-K224 VanDerWaalsContact C-N 3.35Å; H222-K224 PolarHBondContact O-N 3.32Å; H222-Q225 WeakPolarHBondContact O-CB 3.44Å; H222-Q225 PolarHBondContact O-N 3.38Å; H222-K226 WeakPolarHBondContact NE2-CE 3.31Å; H222-K226 WeakPolarHBondContact O-CG 3.41Å; H222-K226 PolarHBondContact O-N 3.27Å |
| 223 | G | 86.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | T219 D220 Q225 K226 A227 | T219-G223 WeakPolarHBondContact OG1-CA 3.04Å; D220-G223 CarbonylContact O-C 3.6Å; D220-G223 WeakPolarHBondContact O-CA 3.26Å; D220-G223 PolarHBondContact O-N 3.1Å; D220-G223 WeakPolarHBondContact OD1-CA 3.19Å; D220-G223 PolarHBondContact OD1-N 3.02Å; G223-Q225 VanDerWaalsContact C-N 3.35Å; G223-Q225 PolarHBondContact O-N 2.95Å; G223-K226 PolarHBondContact O-N 3.3Å; G223-A227 WeakPolarHBondContact O-CB 3.32Å; G223-A227 PolarHBondContact O-N 3Å |
| 224 | K | 90.7 | Very high | 89.1 | Confident | 18 Ų | 18 | 22.8 Ų | 22.8 | 8% | 0.078 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 177.6 | -67 | -170 | -169 | -47.3 | 0 | 110.4 | V216 E217 T219 D220 V221 H222 A227 L228 F265 L289 | V216-K224 WeakPolarHBondContact O-CD 3.48Å; V216-K224 WeakPolarHBondContact O-CG 3.15Å; V216-K224 PolarHBondContact O-NZ 2.94Å; E217-K224 PolarHBondContact O-NZ 3.23Å; T219-K224 WeakPolarHBondContact O-CE 3.39Å; T219-K224 PolarHBondContact O-NZ 2.85Å; T219-K224 PolarHBondContact OG1-N 2.9Å; D220-K224 VanDerWaalsContact O-CG 3.32Å; D220-K224 WeakPolarHBondContact O-CG 3.45Å; D220-K224 PolarHBondContact O-N 3.32Å; V221-K224 PolarHBondContact O-N 3.07Å; H222-K224 VanDerWaalsContact C-N 3.35Å; H222-K224 PolarHBondContact O-N 3.32Å; K224-A227 PolarHBondContact O-N 3.38Å; K224-L228 VanDerWaalsContact O-CB 3.29Å; K224-L228 WeakPolarHBondContact O-CB 3.49Å; K224-L228 PolarHBondContact O-N 2.89Å; K224-F265 HydrophobicContact CD-CD1 4.3Å; K224-F265 HydrophobicContact CD-CG 4.31Å; K224-L289 HydrophobicContact CB-CD1 4.15Å |
| 225 | Q | 90 | Very high | 88.9 | Confident | 19 Ų | 19 | 20.7 Ų | 20.7 | 9% | 0.089 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59 | -51.2 | 175.7 | -175.7 | -153.1 | -9 | 0 | 0 | 110.9 | V221 H222 G223 A227 L228 D229 L289 T292 | V221-Q225 PolarHBondContact O-N 3Å; H222-Q225 WeakPolarHBondContact O-CB 3.44Å; H222-Q225 PolarHBondContact O-N 3.38Å; G223-Q225 VanDerWaalsContact C-N 3.35Å; G223-Q225 PolarHBondContact O-N 2.95Å; Q225-A227 PolarHBondContact O-N 3.44Å; Q225-L228 PolarHBondContact O-N 3.06Å; Q225-D229 VanDerWaalsContact O-CB 3.3Å; Q225-D229 WeakPolarHBondContact O-CB 3.1Å; Q225-D229 PolarHBondContact O-N 3.46Å; Q225-L289 HydrophobicContact CB-CB 4.49Å; Q225-L289 HydrophobicContact CB-CD1 3.97Å; Q225-T292 HydrophobicContact CG-CG2 3.87Å |
| 226 | K | 89 | Confident | 88.5 | Confident | 15 Ų | 15 | 23.3 Ų | 23.3 | 7% | 0.065 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.7 | -34.7 | -177.6 | -63.9 | -53 | -178.9 | -171.5 | 0 | 113.2 | Y188 H222 G223 A230 | Y188-K226 HydrophobicContact CD2-CD 4.44Å; H222-K226 WeakPolarHBondContact NE2-CE 3.31Å; H222-K226 WeakPolarHBondContact O-CG 3.41Å; H222-K226 PolarHBondContact O-N 3.27Å; G223-K226 PolarHBondContact O-N 3.3Å; K226-A230 WeakPolarHBondContact O-CB 3.39Å; K226-A230 PolarHBondContact O-N 3.07Å |
| 227 | A | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.7 | -41.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A215 V216 G223 K224 Q225 A230 I231 | A215-A227 HydrophobicContact CB-CB 3.82Å; V216-A227 HydrophobicContact CG2-CB 3.56Å; G223-A227 WeakPolarHBondContact O-CB 3.32Å; G223-A227 PolarHBondContact O-N 3Å; K224-A227 PolarHBondContact O-N 3.38Å; Q225-A227 PolarHBondContact O-N 3.44Å; A227-A230 PolarHBondContact O-N 3.36Å; A227-I231 WeakPolarHBondContact O-CG1 3.48Å; A227-I231 PolarHBondContact O-N 3.43Å |
| 228 | L | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 175.6 | -173.6 | 69.4 | 0 | 0 | 0 | 112 | K224 Q225 A230 I231 Y232 A258 V262 T293 | K224-L228 VanDerWaalsContact O-CB 3.29Å; K224-L228 WeakPolarHBondContact O-CB 3.49Å; K224-L228 PolarHBondContact O-N 2.89Å; Q225-L228 PolarHBondContact O-N 3.06Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 2.67Å; L228-I231 WeakPolarHBondContact O-CB 3.18Å; L228-I231 PolarHBondContact O-N 2.98Å; L228-Y232 WeakPolarHBondContact O-CB 3.41Å; L228-Y232 PolarHBondContact O-N 3.37Å; L228-A258 HydrophobicContact CD1-CB 3.93Å; L228-V262 HydrophobicContact CD1-CG2 4.49Å; L228-V262 HydrophobicContact CD2-CB 4.49Å; L228-V262 HydrophobicContact CD2-CG1 4.48Å; L228-V262 HydrophobicContact CD2-CG2 4.17Å; L228-T293 HydrophobicContact CD2-CG2 3.48Å; L228-T293 VanDerWaalsContact CD2-CG2 3.48Å |
| 229 | D | 91.3 | Very high | 87.1 | Confident | 24 Ų | 24 | 19.3 Ų | 19.3 | 13% | 0.128 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 175 | -176 | 27.5 | 0 | 0 | 0 | 111.3 | Q225 I231 Y232 Q233 T292 | Q225-D229 VanDerWaalsContact O-CB 3.3Å; Q225-D229 WeakPolarHBondContact O-CB 3.1Å; Q225-D229 PolarHBondContact O-N 3.46Å; D229-I231 PolarHBondContact O-N 3.4Å; D229-Y232 WeakPolarHBondContact O-CB 3.36Å; D229-Y232 PolarHBondContact O-N 3.25Å; D229-Q233 VanDerWaalsContact CG-NE2 3.26Å; D229-Q233 WeakPolarHBondContact O-CB 3.23Å; D229-Q233 VanDerWaalsContact O-CG 3.31Å; D229-Q233 WeakPolarHBondContact O-CG 3.16Å; D229-Q233 PolarHBondContact O-N 3.34Å; D229-Q233 PolarHBondContact OD1-NE2 2.84Å; D229-Q233 PolarHBondContact OD2-NE2 3.01Å; D229-Q233 VanDerWaalsContact OD2-NE2 3.16Å; D229-T292 HydrophobicContact CB-CG2 4.29Å |
| 230 | A | 90.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S187 I194 L212 K226 A227 L228 G234 | S187-A230 WeakPolarHBondContact O-CB 3.49Å; I194-A230 WeakPolarHBondContact CD1-O 3.39Å; L212-A230 HydrophobicContact CD1-CB 3.82Å; L212-A230 HydrophobicContact CD2-CB 4.02Å; K226-A230 WeakPolarHBondContact O-CB 3.39Å; K226-A230 PolarHBondContact O-N 3.07Å; A227-A230 PolarHBondContact O-N 3.36Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 2.67Å; A230-G234 PolarHBondContact O-N 3.03Å |
| 231 | I | 91.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | 174 | -69.7 | 170.2 | 0 | 0 | 0 | 110 | F209 L212 V216 A227 L228 D229 G234 T235 I255 A258 | F209-I231 HydrophobicContact CD1-CG1 4.26Å; F209-I231 HydrophobicContact CD1-CG2 4.12Å; F209-I231 HydrophobicContact CE1-CB 4.36Å; F209-I231 HydrophobicContact CE1-CG2 3.95Å; L212-I231 HydrophobicContact CB-CD1 3.89Å; L212-I231 HydrophobicContact CB-CG1 3.69Å; L212-I231 HydrophobicContact CD1-CG1 4.03Å; V216-I231 HydrophobicContact CG2-CD1 4.2Å; A227-I231 WeakPolarHBondContact O-CG1 3.48Å; A227-I231 PolarHBondContact O-N 3.43Å; L228-I231 WeakPolarHBondContact O-CB 3.18Å; L228-I231 PolarHBondContact O-N 2.98Å; D229-I231 PolarHBondContact O-N 3.4Å; I231-G234 PolarHBondContact O-N 2.98Å; I231-T235 PolarHBondContact O-N 3.28Å; I231-T235 PolarHBondContact O-OG1 3.48Å; I231-I255 HydrophobicContact CG2-CB 3.82Å; I231-I255 HydrophobicContact CG2-CD1 4.4Å; I231-I255 HydrophobicContact CG2-CG1 4.07Å; I231-A258 HydrophobicContact CD1-CB 3.57Å |
| 232 | Y | 91.6 | Very high | 84.5 | Confident | 52 Ų | 52 | 27.6 Ų | 27.6 | 20% | 0.204 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.3 | -55.3 | 178 | 168.2 | -107 | 0 | 0 | 0 | 112.1 | L228 D229 G234 T235 D236 L295 L299 | L228-Y232 WeakPolarHBondContact O-CB 3.41Å; L228-Y232 PolarHBondContact O-N 3.37Å; D229-Y232 WeakPolarHBondContact O-CB 3.36Å; D229-Y232 PolarHBondContact O-N 3.25Å; Y232-G234 VanDerWaalsContact C-N 3.27Å; Y232-G234 PolarHBondContact O-N 3.48Å; Y232-T235 WeakPolarHBondContact CA-OG1 3.22Å; Y232-T235 PolarHBondContact O-N 3.46Å; Y232-T235 VanDerWaalsContact O-N 3.16Å; Y232-T235 PolarHBondContact O-OG1 3.49Å; Y232-D236 WeakPolarHBondContact O-CB 3.41Å; Y232-D236 PolarHBondContact O-N 2.76Å; Y232-L295 HydrophobicContact CD2-CB 4.17Å; Y232-L295 HydrophobicContact CE1-CB 4.33Å; Y232-L295 HydrophobicContact CE1-CD1 4.26Å; Y232-L295 HydrophobicContact CE2-CB 3.89Å; Y232-L299 HydrophobicContact CD2-CB 4.28Å; Y232-L299 HydrophobicContact CD2-CD2 3.87Å; Y232-L299 HydrophobicContact CE2-CB 4.04Å; Y232-L299 HydrophobicContact CE2-CD2 4.06Å; Y232-L299 HydrophobicContact CE2-CG 4.44Å |
| 233 | Q | 87 | Confident | 83.3 | Confident | 61 Ų | 61 | 36.4 Ų | 36.4 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.7 | -41.4 | 178.8 | -69.9 | 175.6 | 20.1 | 0 | 0 | 111.5 | D229 A237 | D229-Q233 VanDerWaalsContact CG-NE2 3.26Å; D229-Q233 WeakPolarHBondContact O-CB 3.23Å; D229-Q233 VanDerWaalsContact O-CG 3.31Å; D229-Q233 WeakPolarHBondContact O-CG 3.16Å; D229-Q233 PolarHBondContact O-N 3.34Å; D229-Q233 PolarHBondContact OD1-NE2 2.84Å; D229-Q233 PolarHBondContact OD2-NE2 3.01Å; D229-Q233 VanDerWaalsContact OD2-NE2 3.16Å; Q233-A237 VanDerWaalsContact O-CB 3.26Å; Q233-A237 WeakPolarHBondContact O-CB 3.32Å; Q233-A237 PolarHBondContact O-N 3.4Å |
| 234 | G | 86.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A230 I231 Y232 L238 | A230-G234 PolarHBondContact O-N 3.03Å; I231-G234 PolarHBondContact O-N 2.98Å; Y232-G234 VanDerWaalsContact C-N 3.27Å; Y232-G234 PolarHBondContact O-N 3.48Å; G234-L238 VanDerWaalsContact O-CG 3.24Å; G234-L238 WeakPolarHBondContact O-CG 3.47Å; G234-L238 PolarHBondContact O-N 3.49Å; G234-L238 VanDerWaalsContact O-N 3.09Å |
| 235 | T | 85.3 | Confident | 79.6 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 178.1 | 44.6 | 0 | 0 | 0 | 0 | 112.4 | F209 I231 Y232 L238 I239 I255 L299 | F209-T235 HydrophobicContact CE1-CG2 3.75Å; F209-T235 HydrophobicContact CZ-CG2 4.02Å; I231-T235 PolarHBondContact O-N 3.28Å; I231-T235 PolarHBondContact O-OG1 3.48Å; Y232-T235 WeakPolarHBondContact CA-OG1 3.22Å; Y232-T235 PolarHBondContact O-N 3.46Å; Y232-T235 VanDerWaalsContact O-N 3.16Å; Y232-T235 PolarHBondContact O-OG1 3.49Å; T235-L238 PolarHBondContact O-N 3.1Å; T235-I239 VanDerWaalsContact O-CD1 3.29Å; T235-I239 WeakPolarHBondContact O-CD1 3.21Å; T235-I239 WeakPolarHBondContact O-CG1 3.35Å; T235-I239 PolarHBondContact O-N 3.46Å; T235-I255 HydrophobicContact CG2-CB 4.03Å; T235-I255 HydrophobicContact CG2-CD1 3.96Å; T235-I255 HydrophobicContact CG2-CG2 4.05Å; T235-I255 WeakPolarHBondContact OG1-CD1 3.28Å; T235-L299 WeakPolarHBondContact OG1-CD2 3.31Å |
| 236 | D | 84.5 | Confident | 77.7 | Confident | 54 Ų | 54 | 48.7 Ų | 48.7 | 29% | 0.289 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64 | -43.9 | 179.5 | -176 | 54.2 | 0 | 0 | 0 | 111.2 | Y232 L238 I239 N240 L299 | Y232-D236 WeakPolarHBondContact O-CB 3.41Å; Y232-D236 PolarHBondContact O-N 2.76Å; D236-L238 PolarHBondContact O-N 2.85Å; D236-I239 PolarHBondContact O-N 2.87Å; D236-N240 PolarHBondContact O-N 3.32Å; D236-N240 VanDerWaalsContact O-N 3.07Å; D236-N240 PolarHBondContact O-ND2 3.01Å; D236-N240 VanDerWaalsContact O-ND2 3.07Å; D236-N240 PolarHBondContact OD1-ND2 2.84Å; D236-L299 HydrophobicContact CB-CD1 4.32Å; D236-L299 HydrophobicContact CB-CD2 4.34Å |
| 237 | A | 81.9 | Confident | 75.9 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 21% | 0.207 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A195 Q233 N240 L241 | A195-A237 HydrophobicContact CB-CB 4.03Å; Q233-A237 VanDerWaalsContact O-CB 3.26Å; Q233-A237 WeakPolarHBondContact O-CB 3.32Å; Q233-A237 PolarHBondContact O-N 3.4Å; A237-N240 PolarHBondContact O-N 2.68Å; A237-L241 WeakPolarHBondContact O-CB 3.4Å; A237-L241 WeakPolarHBondContact O-CD1 3.47Å; A237-L241 VanDerWaalsContact O-CG 3.29Å; A237-L241 WeakPolarHBondContact O-CG 3.35Å; A237-L241 PolarHBondContact O-N 3.29Å; A237-L241 VanDerWaalsContact O-N 3.08Å |
| 238 | L | 80.3 | Confident | 73.9 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 177.8 | -73.1 | 171 | 0 | 0 | 0 | 112.4 | I194 H198 V205 F209 G234 T235 D236 N240 L241 V242 T251 | I194-L238 HydrophobicContact CG2-CD1 4.46Å; I194-L238 HydrophobicContact CG2-CG 4.49Å; H198-L238 HydrophobicContact CB-CD2 3.75Å; H198-L238 WeakPolarHBondContact CD2-CD2 3.46Å; H198-L238 VanDerWaalsContact CG-CD2 3.48Å; V205-L238 HydrophobicContact CG1-CD1 4.1Å; F209-L238 HydrophobicContact CE2-CD1 3.78Å; F209-L238 HydrophobicContact CZ-CD1 4.03Å; G234-L238 VanDerWaalsContact O-CG 3.24Å; G234-L238 WeakPolarHBondContact O-CG 3.47Å; G234-L238 PolarHBondContact O-N 3.49Å; G234-L238 VanDerWaalsContact O-N 3.09Å; T235-L238 PolarHBondContact O-N 3.1Å; D236-L238 PolarHBondContact O-N 2.85Å; L238-N240 VanDerWaalsContact C-N 3.31Å; L238-N240 PolarHBondContact O-N 2.9Å; L238-L241 PolarHBondContact O-N 3.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.44Å; L238-V242 PolarHBondContact O-N 2.98Å; L238-T251 HydrophobicContact CD1-CG2 4.21Å |
| 239 | I | 76.5 | Confident | 72.3 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 178 | -69.6 | 158.3 | 0 | 0 | 0 | 111.4 | T235 D236 L299 I303 R306 | T235-I239 VanDerWaalsContact O-CD1 3.29Å; T235-I239 WeakPolarHBondContact O-CD1 3.21Å; T235-I239 WeakPolarHBondContact O-CG1 3.35Å; T235-I239 PolarHBondContact O-N 3.46Å; D236-I239 PolarHBondContact O-N 2.87Å; I239-L299 HydrophobicContact CD1-CD1 3.89Å; I239-L299 HydrophobicContact CD1-CD2 4.16Å; I239-L299 HydrophobicContact CD1-CG 4.07Å; I239-I303 HydrophobicContact CD1-CD1 3.44Å; I239-I303 VanDerWaalsContact CD1-CD1 3.44Å; I239-I303 HydrophobicContact CD1-CG1 3.54Å; I239-I303 HydrophobicContact CG1-CG1 4.41Å; I239-R306 VanDerWaalsContact CG2-NH1 3.35Å |
| 240 | N | 74.3 | Confident | 71.1 | Confident | 106 Ų | 106 | 55.9 Ų | 55.9 | 57% | 0.567 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -79.5 | -25.2 | -179.2 | -68.8 | -36.8 | 0 | 0 | 0 | 113.1 | D236 A237 L238 | D236-N240 PolarHBondContact O-N 3.32Å; D236-N240 VanDerWaalsContact O-N 3.07Å; D236-N240 PolarHBondContact O-ND2 3.01Å; D236-N240 VanDerWaalsContact O-ND2 3.07Å; D236-N240 PolarHBondContact OD1-ND2 2.84Å; A237-N240 PolarHBondContact O-N 2.68Å; L238-N240 VanDerWaalsContact C-N 3.31Å; L238-N240 PolarHBondContact O-N 2.9Å |
| 241 | L | 68.4 | Low | 70.2 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 52% | 0.518 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -85.2 | -24.1 | -179.2 | -77.5 | 166.5 | 0 | 0 | 0 | 114.2 | A195 A237 L238 | A195-L241 HydrophobicContact CB-CD1 4.07Å; A237-L241 WeakPolarHBondContact O-CB 3.4Å; A237-L241 WeakPolarHBondContact O-CD1 3.47Å; A237-L241 VanDerWaalsContact O-CG 3.29Å; A237-L241 WeakPolarHBondContact O-CG 3.35Å; A237-L241 PolarHBondContact O-N 3.29Å; A237-L241 VanDerWaalsContact O-N 3.08Å; L238-L241 PolarHBondContact O-N 3.23Å |
| 242 | V | 58.8 | Low | 69.5 | Low | 38 Ų | 38 | 57.3 Ų | 57.3 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | trans | -114.8 | 114.5 | -168.2 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | L238 E244 I246 | L238-V242 WeakPolarHBondContact O-CG2 3.44Å; L238-V242 PolarHBondContact O-N 2.98Å; V242-E244 VanDerWaalsContact C-N 3.29Å; V242-E244 HydrophobicContact CG1-CB 4.3Å; V242-E244 WeakPolarHBondContact CG1-O 3.3Å; V242-I246 HydrophobicContact CB-CD1 3.66Å; V242-I246 HydrophobicContact CB-CG1 4.39Å; V242-I246 HydrophobicContact CG1-CD1 3.32Å; V242-I246 HydrophobicContact CG1-CG1 3.72Å; V242-I246 HydrophobicContact CG2-CD1 3.51Å | ||
| 243 | H | 58 | Low | 69.1 | Low | 205 Ų | 205 | 56.6 Ų | 56.6 | 95% | 0.949 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -74.5 | -15.6 | 175.6 | -77 | -64.2 | 0 | 0 | 0 | 113.8 | ||
| 244 | E | 50 | Low | 69 | Low | 155 Ų | 155 | 56.1 Ų | 56.1 | 72% | 0.724 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -99.8 | 154.2 | -179.4 | -79.6 | -165 | 170.8 | 0 | 0 | 112.4 | V242 I246 | V242-E244 VanDerWaalsContact C-N 3.29Å; V242-E244 HydrophobicContact CG1-CB 4.3Å; V242-E244 WeakPolarHBondContact CG1-O 3.3Å; E244-I246 VanDerWaalsContact C-N 3.34Å; E244-I246 PolarHBondContact O-N 3.08Å |
| 245 | P | 49.8 | Very low | 69 | Low | 78 Ų | 78 | 56.1 Ų | 56.1 | 51% | 0.506 | 31% | 0.305 | S | S | . | . | trans | -76.1 | 83.3 | -168.9 | 32 | -33.8 | 0 | 0 | 0 | 111.1 | Y247 | P245-Y247 HydrophobicContact CB-CD2 3.44Å; P245-Y247 VanDerWaalsContact CB-CD2 3.44Å; P245-Y247 HydrophobicContact CB-CE2 3.94Å; P245-Y247 HydrophobicContact CB-CG 4.46Å; P245-Y247 PolarHBondContact O-N 3.45Å | ||
| 246 | I | 51.4 | Low | 69.1 | Low | 62 Ų | 62 | 56.1 Ų | 56.1 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -65.9 | 4.6 | 165 | -72.8 | -180 | 0 | 0 | 0 | 111.9 | V242 E244 G248 S249 | V242-I246 HydrophobicContact CB-CD1 3.66Å; V242-I246 HydrophobicContact CB-CG1 4.39Å; V242-I246 HydrophobicContact CG1-CD1 3.32Å; V242-I246 HydrophobicContact CG1-CG1 3.72Å; V242-I246 HydrophobicContact CG2-CD1 3.51Å; E244-I246 VanDerWaalsContact C-N 3.34Å; E244-I246 PolarHBondContact O-N 3.08Å; I246-G248 PolarHBondContact O-N 3.35Å; I246-S249 WeakPolarHBondContact CG2-OG 3.26Å; I246-S249 WeakPolarHBondContact O-CB 3.37Å; I246-S249 PolarHBondContact O-N 3.4Å; I246-S249 PolarHBondContact O-OG 2.85Å |
| 247 | Y | 50.9 | Low | 69.2 | Low | 53 Ų | 53 | 54.7 Ų | 54.7 | 21% | 0.208 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -55.1 | -19.3 | 178.1 | -56.5 | -62.3 | 0 | 0 | 0 | 114.2 | P245 L252 I303 R306 I307 L310 | P245-Y247 HydrophobicContact CB-CD2 3.44Å; P245-Y247 VanDerWaalsContact CB-CD2 3.44Å; P245-Y247 HydrophobicContact CB-CE2 3.94Å; P245-Y247 HydrophobicContact CB-CG 4.46Å; P245-Y247 PolarHBondContact O-N 3.45Å; Y247-L252 HydrophobicContact CD1-CD1 4.38Å; Y247-I303 HydrophobicContact CD1-CG2 3.77Å; Y247-I303 HydrophobicContact CE1-CG2 3.92Å; Y247-R306 HydrophobicContact CE1-CB 4.4Å; Y247-R306 WeakPolarHBondContact OH-CB 3.39Å; Y247-R306 VanDerWaalsContact OH-CD 3.23Å; Y247-R306 WeakPolarHBondContact OH-CD 3.11Å; Y247-I307 HydrophobicContact CD1-CD1 3.85Å; Y247-I307 HydrophobicContact CD1-CG1 3.6Å; Y247-I307 HydrophobicContact CD2-CG1 4.16Å; Y247-I307 HydrophobicContact CE1-CG1 4.2Å; Y247-I307 HydrophobicContact CG-CD1 4.05Å; Y247-I307 HydrophobicContact CG-CG1 3.59Å; Y247-L310 HydrophobicContact CD2-CD1 4.05Å; Y247-L310 HydrophobicContact CE2-CD1 3.69Å |
| 248 | G | 50.7 | Low | 69.6 | Low | 47 Ų | 47 | 53.5 Ų | 53.5 | 49% | 0.485 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -89.5 | -0.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116 | I246 | I246-G248 PolarHBondContact O-N 3.35Š|
| 249 | S | 58.6 | Low | 70.1 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -76.6 | 139.9 | -173.7 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | I246 T251 L252 | I246-S249 WeakPolarHBondContact CG2-OG 3.26Å; I246-S249 WeakPolarHBondContact O-CB 3.37Å; I246-S249 PolarHBondContact O-N 3.4Å; I246-S249 PolarHBondContact O-OG 2.85Å; S249-T251 VanDerWaalsContact CB-OG1 3.23Å; S249-T251 WeakPolarHBondContact CB-OG1 3.28Å; S249-T251 PolarHBondContact O-N 3.42Å; S249-T251 WeakPolarHBondContact OG-CB 3.37Å; S249-T251 PolarHBondContact OG-OG1 2.85Å; S249-L252 PolarHBondContact O-N 3.17Å |
| 250 | T | 65.9 | Low | 70.6 | Confident | 62 Ų | 62 | 51.7 Ų | 51.7 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -49.4 | -22 | 169.4 | 45.3 | 0 | 0 | 0 | 0 | 113.4 | Q206 N253 Y254 | Q206-T250 VanDerWaalsContact NE2-CB 3.28Å; Q206-T250 PolarHBondContact NE2-OG1 2.87Å; T250-N253 PolarHBondContact O-N 3.22Å; T250-Y254 VanDerWaalsContact O-CD2 3.27Å; T250-Y254 WeakPolarHBondContact O-CD2 3.39Å; T250-Y254 WeakPolarHBondContact O-CE2 3.01Å |
| 251 | T | 72.5 | Confident | 71.3 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 10% | 0.104 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 174.9 | -11.3 | 0 | 0 | 0 | 0 | 113.1 | V205 F209 L238 S249 N253 Y254 | V205-T251 HydrophobicContact CG1-CG2 4.23Å; F209-T251 HydrophobicContact CB-CG2 4.42Å; F209-T251 HydrophobicContact CD1-CG2 4.45Å; F209-T251 HydrophobicContact CD2-CG2 3.24Å; F209-T251 HydrophobicContact CE2-CG2 3.45Å; F209-T251 VanDerWaalsContact CE2-CG2 3.45Å; F209-T251 HydrophobicContact CG-CG2 3.8Å; F209-T251 HydrophobicContact CZ-CG2 4.15Å; L238-T251 HydrophobicContact CD1-CG2 4.21Å; S249-T251 VanDerWaalsContact CB-OG1 3.23Å; S249-T251 WeakPolarHBondContact CB-OG1 3.28Å; S249-T251 PolarHBondContact O-N 3.42Å; S249-T251 WeakPolarHBondContact OG-CB 3.37Å; S249-T251 PolarHBondContact OG-OG1 2.85Å; T251-N253 VanDerWaalsContact C-N 3.33Å; T251-N253 PolarHBondContact O-N 3.25Å; T251-Y254 WeakPolarHBondContact O-CB 3.41Å; T251-Y254 PolarHBondContact O-N 3.08Å |
| 252 | L | 77.4 | Confident | 72.3 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.9 | -33.8 | -179.6 | -76 | 174.6 | 0 | 0 | 0 | 112 | Y247 S249 Y254 I255 Y256 I303 | Y247-L252 HydrophobicContact CD1-CD1 4.38Å; S249-L252 PolarHBondContact O-N 3.17Å; L252-Y254 PolarHBondContact O-N 2.65Å; L252-Y254 VanDerWaalsContact O-N 3.09Å; L252-I255 HydrophobicContact CD2-CG2 4.28Å; L252-I255 WeakPolarHBondContact O-CG2 3.37Å; L252-I255 PolarHBondContact O-N 3.29Å; L252-Y256 HydrophobicContact CB-CE2 4.32Å; L252-Y256 WeakPolarHBondContact O-CD2 3.32Å; L252-Y256 PolarHBondContact O-N 3.48Å; L252-I303 HydrophobicContact CD1-CG2 4.34Å; L252-I303 HydrophobicContact CD2-CD1 3.83Å |
| 253 | N | 81.8 | Confident | 73.7 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.2 | -28.4 | 177.6 | -69.7 | -28.3 | 0 | 0 | 0 | 112.8 | T250 T251 A257 C317 | T250-N253 PolarHBondContact O-N 3.22Å; T251-N253 VanDerWaalsContact C-N 3.33Å; T251-N253 PolarHBondContact O-N 3.25Å; N253-A257 WeakPolarHBondContact O-CB 3.38Å; N253-A257 PolarHBondContact O-N 3.42Å; N253-C317 PolarHBondContact OD1-SG 2.93Å |
| 254 | Y | 85.3 | Confident | 75 | Confident | 50 Ų | 50 | 36.2 Ų | 36.2 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70 | -36.1 | 177.2 | -68.1 | -61.8 | 0 | 0 | 0 | 113 | Q206 F209 R210 C213 T250 T251 L252 A257 A258 | Q206-Y254 HydrophobicContact CG-CE2 4.11Å; F209-Y254 HydrophobicContact CB-CD2 3.49Å; F209-Y254 VanDerWaalsContact CB-CD2 3.49Å; F209-Y254 HydrophobicContact CB-CE2 4.17Å; F209-Y254 HydrophobicContact CB-CG 3.84Å; F209-Y254 HydrophobicContact CG-CD2 4.43Å; R210-Y254 HydrophobicContact CB-CE1 3.82Å; R210-Y254 HydrophobicContact CB-CE2 4.45Å; R210-Y254 HydrophobicContact CG-CE1 3.94Å; C213-Y254 HydrophobicContact CB-CD1 4.17Å; C213-Y254 VanDerWaalsContact SG-CB 3.51Å; C213-Y254 VanDerWaalsContact SG-CD1 3.56Å; C213-Y254 PolarHBondContact SG-O 3.48Å; T250-Y254 VanDerWaalsContact O-CD2 3.27Å; T250-Y254 WeakPolarHBondContact O-CD2 3.39Å; T250-Y254 WeakPolarHBondContact O-CE2 3.01Å; T251-Y254 WeakPolarHBondContact O-CB 3.41Å; T251-Y254 PolarHBondContact O-N 3.08Å; L252-Y254 PolarHBondContact O-N 2.65Å; L252-Y254 VanDerWaalsContact O-N 3.09Å; Y254-A257 PolarHBondContact O-N 3.1Å; Y254-A258 WeakPolarHBondContact O-CB 3.49Å; Y254-A258 PolarHBondContact O-N 2.89Å |
| 255 | I | 87.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.1 | -40.5 | 174.9 | -174.7 | 162.2 | 0 | 0 | 0 | 111.3 | I231 T235 L252 A257 A258 S259 C296 L299 L300 | I231-I255 HydrophobicContact CG2-CB 3.82Å; I231-I255 HydrophobicContact CG2-CD1 4.4Å; I231-I255 HydrophobicContact CG2-CG1 4.07Å; T235-I255 HydrophobicContact CG2-CB 4.03Å; T235-I255 HydrophobicContact CG2-CD1 3.96Å; T235-I255 HydrophobicContact CG2-CG2 4.05Å; T235-I255 WeakPolarHBondContact OG1-CD1 3.28Å; L252-I255 HydrophobicContact CD2-CG2 4.28Å; L252-I255 WeakPolarHBondContact O-CG2 3.37Å; L252-I255 PolarHBondContact O-N 3.29Å; I255-A257 PolarHBondContact O-N 3.44Å; I255-A258 PolarHBondContact O-N 3.12Å; I255-S259 WeakPolarHBondContact O-CB 3.39Å; I255-S259 PolarHBondContact O-N 3.3Å; I255-S259 PolarHBondContact O-OG 3.01Å; I255-C296 HydrophobicContact CD1-CB 4.32Å; I255-L299 HydrophobicContact CD1-CD2 4.04Å; I255-L300 HydrophobicContact CD1-CG 4.47Å; I255-L300 HydrophobicContact CG1-CD1 4.44Å; I255-L300 HydrophobicContact CG1-CD2 4.28Å; I255-L300 HydrophobicContact CG1-CG 4.33Å; I255-L300 HydrophobicContact CG2-CD2 3.65Å |
| 256 | Y | 86.7 | Confident | 78.4 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 173.7 | -68.3 | -83.4 | 0 | 0 | 0 | 112.1 | L252 S259 G260 L300 E304 Q321 L324 F352 | L252-Y256 HydrophobicContact CB-CE2 4.32Å; L252-Y256 WeakPolarHBondContact O-CD2 3.32Å; L252-Y256 PolarHBondContact O-N 3.48Å; Y256-S259 PolarHBondContact O-OG 2.97Å; Y256-G260 PolarHBondContact O-N 3.48Å; Y256-L300 HydrophobicContact CD1-CD1 4.04Å; Y256-L300 HydrophobicContact CD1-CD2 4.04Å; Y256-L300 HydrophobicContact CD2-CD2 4.21Å; Y256-L300 HydrophobicContact CE1-CD1 4.22Å; Y256-L300 HydrophobicContact CE1-CD2 3.69Å; Y256-L300 HydrophobicContact CE1-CG 4.43Å; Y256-L300 HydrophobicContact CE2-CD2 3.84Å; Y256-L300 HydrophobicContact CG-CD2 4.27Å; Y256-E304 PolarHBondContact OH-OE1 3.32Å; Y256-Q321 HydrophobicContact CD1-CB 4.41Å; Y256-Q321 HydrophobicContact CE1-CB 4.32Å; Y256-Q321 HydrophobicContact CE1-CG 4.13Å; Y256-L324 HydrophobicContact CD1-CD2 3.78Å; Y256-F352 HydrophobicContact CD1-CZ 4.41Å; Y256-F352 HydrophobicContact CE1-CE2 4.24Å; Y256-F352 HydrophobicContact CE1-CZ 4.13Å |
| 257 | A | 87.4 | Confident | 79.9 | Confident | 25 Ų | 25 | 24.8 Ų | 24.8 | 21% | 0.207 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.8 | -47.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N253 Y254 I255 G260 L261 | N253-A257 WeakPolarHBondContact O-CB 3.38Å; N253-A257 PolarHBondContact O-N 3.42Å; Y254-A257 PolarHBondContact O-N 3.1Å; I255-A257 PolarHBondContact O-N 3.44Å; A257-G260 PolarHBondContact O-N 3.1Å; A257-L261 WeakPolarHBondContact O-CG 3.45Å; A257-L261 PolarHBondContact O-N 3.34Å |
| 258 | A | 89.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V216 L228 I231 Y254 I255 G260 L261 V262 | V216-A258 HydrophobicContact CG2-CB 4.35Å; L228-A258 HydrophobicContact CD1-CB 3.93Å; I231-A258 HydrophobicContact CD1-CB 3.57Å; Y254-A258 WeakPolarHBondContact O-CB 3.49Å; Y254-A258 PolarHBondContact O-N 2.89Å; I255-A258 PolarHBondContact O-N 3.12Å; A258-G260 VanDerWaalsContact C-N 3.29Å; A258-G260 PolarHBondContact O-N 3.4Å; A258-L261 PolarHBondContact O-N 2.89Å; A258-V262 WeakPolarHBondContact O-CG2 3.24Å; A258-V262 PolarHBondContact O-N 3.45Å |
| 259 | S | 89.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.8 | -37.8 | 176.1 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | I255 Y256 V262 L263 L324 | I255-S259 WeakPolarHBondContact O-CB 3.39Å; I255-S259 PolarHBondContact O-N 3.3Å; I255-S259 PolarHBondContact O-OG 3.01Å; Y256-S259 PolarHBondContact O-OG 2.97Å; S259-V262 PolarHBondContact O-N 2.87Å; S259-L263 VanDerWaalsContact O-CB 3.31Å; S259-L263 WeakPolarHBondContact O-CB 3.34Å; S259-L263 VanDerWaalsContact O-CG 3.28Å; S259-L263 WeakPolarHBondContact O-CG 3.46Å; S259-L263 PolarHBondContact O-N 3.32Å; S259-L324 WeakPolarHBondContact OG-CD1 3.47Å; S259-L324 VanDerWaalsContact OG-CD2 3.28Å; S259-L324 WeakPolarHBondContact OG-CD2 3.35Å |
| 260 | G | 88.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y256 A257 A258 L263 T264 | Y256-G260 PolarHBondContact O-N 3.48Å; A257-G260 PolarHBondContact O-N 3.1Å; A258-G260 VanDerWaalsContact C-N 3.29Å; A258-G260 PolarHBondContact O-N 3.4Å; G260-L263 PolarHBondContact O-N 2.96Å; G260-T264 WeakPolarHBondContact O-CB 3.43Å; G260-T264 WeakPolarHBondContact O-CG2 3.36Å; G260-T264 PolarHBondContact O-N 3.37Å; G260-T264 PolarHBondContact O-OG1 3.43Å |
| 261 | L | 88.4 | Confident | 83.7 | Confident | 63 Ų | 63 | 26 Ų | 26 | 33% | 0.33 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.7 | -72.2 | 171.8 | 0 | 0 | 0 | 111.8 | V216 E217 A257 A258 T264 F265 | V216-L261 HydrophobicContact CG1-CB 4.13Å; E217-L261 HydrophobicContact CB-CD1 4.45Å; A257-L261 WeakPolarHBondContact O-CG 3.45Å; A257-L261 PolarHBondContact O-N 3.34Å; A258-L261 PolarHBondContact O-N 2.89Å; L261-T264 WeakPolarHBondContact CA-OG1 3.28Å; L261-T264 PolarHBondContact O-OG1 2.76Å; L261-F265 WeakPolarHBondContact O-CB 3.45Å; L261-F265 PolarHBondContact O-N 2.96Å |
| 262 | V | 89.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.3 | -40.4 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | V216 L228 A258 S259 T264 F265 L266 L289 T293 | V216-V262 HydrophobicContact CG1-CG2 3.52Å; L228-V262 HydrophobicContact CD1-CG2 4.49Å; L228-V262 HydrophobicContact CD2-CB 4.49Å; L228-V262 HydrophobicContact CD2-CG1 4.48Å; L228-V262 HydrophobicContact CD2-CG2 4.17Å; A258-V262 WeakPolarHBondContact O-CG2 3.24Å; A258-V262 PolarHBondContact O-N 3.45Å; S259-V262 PolarHBondContact O-N 2.87Å; V262-T264 PolarHBondContact O-N 3.15Å; V262-F265 WeakPolarHBondContact O-CB 3.42Å; V262-F265 PolarHBondContact O-N 3.44Å; V262-L266 HydrophobicContact CG1-CD1 4.09Å; V262-L266 HydrophobicContact CG1-CG 4.27Å; V262-L266 WeakPolarHBondContact O-CB 3.35Å; V262-L266 WeakPolarHBondContact O-CG 3.45Å; V262-L266 PolarHBondContact O-N 2.8Å; V262-L289 HydrophobicContact CG1-CD1 3.63Å; V262-L289 HydrophobicContact CG1-CD2 3.83Å; V262-L289 HydrophobicContact CG1-CG 3.62Å; V262-L289 HydrophobicContact CG2-CD1 4.42Å; V262-T293 HydrophobicContact CB-CG2 3.82Å; V262-T293 HydrophobicContact CG1-CG2 3.26Å |
| 263 | L | 87.4 | Confident | 83 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 176.4 | -79.4 | 178.4 | 0 | 0 | 0 | 112.4 | S259 G260 L266 S267 L297 L324 I327 I331 L345 I349 | S259-L263 VanDerWaalsContact O-CB 3.31Å; S259-L263 WeakPolarHBondContact O-CB 3.34Å; S259-L263 VanDerWaalsContact O-CG 3.28Å; S259-L263 WeakPolarHBondContact O-CG 3.46Å; S259-L263 PolarHBondContact O-N 3.32Å; G260-L263 PolarHBondContact O-N 2.96Å; L263-L266 PolarHBondContact O-N 3.2Å; L263-S267 PolarHBondContact O-N 3.41Å; L263-L297 HydrophobicContact CD1-CD1 4.49Å; L263-L297 HydrophobicContact CD1-CD2 4.46Å; L263-L324 HydrophobicContact CD1-CD1 3.79Å; L263-I327 HydrophobicContact CB-CG2 3.86Å; L263-I331 HydrophobicContact CB-CD1 3.62Å; L263-I331 HydrophobicContact CD1-CD1 4.47Å; L263-I331 HydrophobicContact CD2-CD1 4Å; L263-I331 HydrophobicContact CG-CD1 4.24Å; L263-I331 WeakPolarHBondContact O-CD1 3.38Å; L263-L345 HydrophobicContact CD2-CD1 4.05Å; L263-I349 HydrophobicContact CD2-CD1 4.01Å; L263-I349 HydrophobicContact CD2-CG1 4.47Å |
| 264 | T | 86.8 | Confident | 82 | Confident | 61 Ų | 61 | 40.3 Ų | 40.3 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 173.7 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | G260 L261 V262 S267 S268 I327 | G260-T264 WeakPolarHBondContact O-CB 3.43Å; G260-T264 WeakPolarHBondContact O-CG2 3.36Å; G260-T264 PolarHBondContact O-N 3.37Å; G260-T264 PolarHBondContact O-OG1 3.43Å; L261-T264 WeakPolarHBondContact CA-OG1 3.28Å; L261-T264 PolarHBondContact O-OG1 2.76Å; V262-T264 PolarHBondContact O-N 3.15Å; T264-S267 PolarHBondContact O-N 3.06Å; T264-S268 WeakPolarHBondContact O-CB 3.38Å; T264-S268 PolarHBondContact O-N 3.21Å; T264-S268 PolarHBondContact O-OG 2.63Å; T264-I327 HydrophobicContact CG2-CD1 3.72Å; T264-I327 HydrophobicContact CG2-CG1 3.88Å; T264-I327 HydrophobicContact CG2-CG2 3.84Å |
| 265 | F | 86.4 | Confident | 80.7 | Confident | 32 Ų | 32 | 45.8 Ų | 45.8 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -50.4 | 172.1 | 175 | -99.5 | 0 | 0 | 0 | 111.9 | V221 K224 L261 V262 S267 S268 W269 L276 L289 | V221-F265 HydrophobicContact CG2-CE1 4.1Å; V221-F265 HydrophobicContact CG2-CZ 3.91Å; K224-F265 HydrophobicContact CD-CD1 4.3Å; K224-F265 HydrophobicContact CD-CG 4.31Å; L261-F265 WeakPolarHBondContact O-CB 3.45Å; L261-F265 PolarHBondContact O-N 2.96Å; V262-F265 WeakPolarHBondContact O-CB 3.42Å; V262-F265 PolarHBondContact O-N 3.44Å; F265-S267 VanDerWaalsContact C-N 3.32Å; F265-S267 PolarHBondContact O-N 3Å; F265-S268 WeakPolarHBondContact CA-OG 3.4Å; F265-S268 PolarHBondContact O-N 3.29Å; F265-S268 VanDerWaalsContact O-N 3.16Å; F265-S268 PolarHBondContact O-OG 3.03Å; F265-W269 WeakPolarHBondContact O-CB 3.41Å; F265-W269 PolarHBondContact O-N 3.2Å; F265-L276 HydrophobicContact CE2-CD1 4.33Å; F265-L276 HydrophobicContact CZ-CD1 4.02Å; F265-L289 HydrophobicContact CD1-CD2 4.05Å; F265-L289 HydrophobicContact CE1-CD2 4.09Å |
| 266 | L | 84.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 178.9 | -73.7 | 171.3 | 0 | 0 | 0 | 112.2 | V262 L263 H270 L289 E290 T293 W336 L345 | V262-L266 HydrophobicContact CG1-CD1 4.09Å; V262-L266 HydrophobicContact CG1-CG 4.27Å; V262-L266 WeakPolarHBondContact O-CB 3.35Å; V262-L266 WeakPolarHBondContact O-CG 3.45Å; V262-L266 PolarHBondContact O-N 2.8Å; L263-L266 PolarHBondContact O-N 3.2Å; L266-H270 PolarHBondContact O-N 3.46Å; L266-H270 VanDerWaalsContact O-N 3.08Å; L266-H270 PolarHBondContact O-ND1 3.44Å; L266-L289 HydrophobicContact CD2-CD2 4.16Å; L266-E290 HydrophobicContact CD1-CG 3.98Å; L266-E290 HydrophobicContact CD2-CG 3.97Å; L266-T293 HydrophobicContact CD1-CG2 4.28Å; L266-W336 HydrophobicContact CB-CH2 4.39Å; L266-L345 HydrophobicContact CD1-CD2 4.2Å |
| 267 | S | 82.8 | Confident | 77.6 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 16% | 0.161 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -50.3 | 173.7 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | L263 T264 F265 W269 H270 D271 | L263-S267 PolarHBondContact O-N 3.41Å; T264-S267 PolarHBondContact O-N 3.06Å; F265-S267 VanDerWaalsContact C-N 3.32Å; F265-S267 PolarHBondContact O-N 3Å; S267-W269 VanDerWaalsContact C-N 3.26Å; S267-W269 PolarHBondContact O-N 3.35Å; S267-H270 PolarHBondContact O-N 3.37Å; S267-D271 WeakPolarHBondContact O-CB 3.18Å; S267-D271 PolarHBondContact O-N 3.03Å; S267-D271 PolarHBondContact OG-OD2 3.4Å |
| 268 | S | 81.4 | Confident | 75.7 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -33.5 | -178.3 | 71.6 | 0 | 0 | 0 | 0 | 113 | T264 F265 R272 T273 V274 | T264-S268 WeakPolarHBondContact O-CB 3.38Å; T264-S268 PolarHBondContact O-N 3.21Å; T264-S268 PolarHBondContact O-OG 2.63Å; F265-S268 WeakPolarHBondContact CA-OG 3.4Å; F265-S268 PolarHBondContact O-N 3.29Å; F265-S268 VanDerWaalsContact O-N 3.16Å; F265-S268 PolarHBondContact O-OG 3.03Å; S268-R272 PolarHBondContact O-N 3.19Å; S268-T273 VanDerWaalsContact CA-OG1 3.3Å; S268-T273 WeakPolarHBondContact CA-OG1 3.35Å; S268-T273 VanDerWaalsContact CB-OG1 3.31Å; S268-T273 WeakPolarHBondContact CB-OG1 3.43Å; S268-T273 PolarHBondContact O-N 3.16Å; S268-T273 PolarHBondContact O-OG1 3.23Å; S268-V274 PolarHBondContact O-N 3.06Å; S268-V274 VanDerWaalsContact OG-CG2 3.27Å; S268-V274 WeakPolarHBondContact OG-CG2 3.33Å |
| 269 | W | 74.8 | Confident | 73.7 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 22% | 0.216 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.2 | -48.3 | 176.7 | -177.4 | 68.3 | 0 | 0 | 0 | 111.5 | F265 S267 D271 R272 L276 I282 C286 | F265-W269 WeakPolarHBondContact O-CB 3.41Å; F265-W269 PolarHBondContact O-N 3.2Å; S267-W269 VanDerWaalsContact C-N 3.26Å; S267-W269 PolarHBondContact O-N 3.35Å; W269-D271 VanDerWaalsContact C-N 3.33Å; W269-D271 PolarHBondContact O-N 3.25Å; W269-R272 WeakPolarHBondContact O-CA 3.39Å; W269-R272 PolarHBondContact O-N 3.27Å; W269-L276 VanDerWaalsContact CD1-CD1 3.47Å; W269-I282 HydrophobicContact CZ2-CG2 4.35Å; W269-C286 HydrophobicContact CH2-CB 4.14Å; W269-C286 HydrophobicContact CZ3-CB 4.17Å |
| 270 | H | 75.8 | Confident | 71.8 | Confident | 44 Ų | 44 | 70 Ų | 70 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 177.2 | -79.9 | 90.8 | 0 | 0 | 0 | 112.8 | L266 S267 R272 E290 W336 H342 | L266-H270 PolarHBondContact O-N 3.46Å; L266-H270 VanDerWaalsContact O-N 3.08Å; L266-H270 PolarHBondContact O-ND1 3.44Å; S267-H270 PolarHBondContact O-N 3.37Å; H270-R272 PolarHBondContact O-N 3.22Å; H270-R272 VanDerWaalsContact O-N 3.09Å; H270-E290 IonicContact CE1-OE1 3.07Å; H270-W336 HydrophobicContact CB-CB 3.8Å; H270-W336 HydrophobicContact CB-CD2 3.52Å; H270-W336 HydrophobicContact CB-CE3 4Å; H270-W336 HydrophobicContact CB-CG 3.41Å; H270-W336 VanDerWaalsContact CB-CG 3.41Å; H270-W336 AromaticContact CD2-CD2 3.97Å; H270-W336 AromaticContact CD2-CE3 3.56Å; H270-W336 AromaticContact CE1-CE3 3.73Å; H270-W336 AromaticContact CE1-CZ3 3.66Å; H270-W336 AromaticContact CG-CD2 3.52Å; H270-W336 AromaticContact CG-CE3 3.43Å; H270-W336 VanDerWaalsContact CG-CE3 3.43Å; H270-W336 AromaticContact CG-CG 3.85Å; H270-W336 AromaticContact ND1-CD2 3.92Å; H270-W336 AromaticContact ND1-CE3 3.55Å; H270-W336 AromaticContact ND1-CZ3 3.61Å; H270-W336 AromaticContact NE2-CE3 3.79Å; H270-H342 AromaticContact CD2-NE2 3.93Å; H270-H342 AromaticContact CE1-CE1 3.66Å; H270-H342 AromaticContact CE1-NE2 3.94Å; H270-H342 AromaticContact NE2-CE1 3.22Å; H270-H342 PolarHBondContact NE2-CE1 3.47Å; H270-H342 AromaticContact NE2-NE2 3.14Å; H270-H342 PolarHBondContact NE2-NE2 3.27Å; H270-H342 VanDerWaalsContact NE2-NE2 3.14Å |
| 271 | D | 74.4 | Confident | 70.1 | Confident | 86 Ų | 86 | 76.2 Ų | 76.2 | 46% | 0.46 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 1.4 | 174.6 | -65 | -28.1 | 0 | 0 | 0 | 112.7 | S267 W269 T273 | S267-D271 WeakPolarHBondContact O-CB 3.18Å; S267-D271 PolarHBondContact O-N 3.03Å; S267-D271 PolarHBondContact OG-OD2 3.4Å; W269-D271 VanDerWaalsContact C-N 3.33Å; W269-D271 PolarHBondContact O-N 3.25Å; D271-T273 HydrophobicContact CB-CG2 4.06Å; D271-T273 PolarHBondContact O-N 3.15Å; D271-T273 VanDerWaalsContact O-N 3.12Å |
| 272 | R | 67.7 | Low | 68.7 | Low | 217 Ų | 217 | 74.5 Ų | 74.5 | 82% | 0.819 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 23.9 | -176.6 | -58.6 | -175 | 179.6 | -174.8 | -0.4 | 114.1 | S268 W269 H270 V274 | S268-R272 PolarHBondContact O-N 3.19Å; W269-R272 WeakPolarHBondContact O-CA 3.39Å; W269-R272 PolarHBondContact O-N 3.27Å; H270-R272 PolarHBondContact O-N 3.22Å; H270-R272 VanDerWaalsContact O-N 3.09Å; R272-V274 VanDerWaalsContact C-N 3.27Å |
| 273 | T | 66.1 | Low | 67.3 | Low | 101 Ų | 101 | 78.1 Ų | 78.1 | 62% | 0.62 | 42% | 0.421 | S | S | * | . | trans | -76.1 | -22.1 | 173.9 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | S268 D271 | S268-T273 VanDerWaalsContact CA-OG1 3.3Å; S268-T273 WeakPolarHBondContact CA-OG1 3.35Å; S268-T273 VanDerWaalsContact CB-OG1 3.31Å; S268-T273 WeakPolarHBondContact CB-OG1 3.43Å; S268-T273 PolarHBondContact O-N 3.16Å; S268-T273 PolarHBondContact O-OG1 3.23Å; D271-T273 HydrophobicContact CB-CG2 4.06Å; D271-T273 PolarHBondContact O-N 3.15Å; D271-T273 VanDerWaalsContact O-N 3.12Å | ||
| 274 | V | 61.1 | Low | 66.3 | Low | 50 Ų | 50 | 83.1 Ų | 83.1 | 30% | 0.303 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -99.8 | 116.4 | 173.7 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | S268 R272 L276 | S268-V274 PolarHBondContact O-N 3.06Å; S268-V274 VanDerWaalsContact OG-CG2 3.27Å; S268-V274 WeakPolarHBondContact OG-CG2 3.33Å; R272-V274 VanDerWaalsContact C-N 3.27Å; V274-L276 VanDerWaalsContact C-N 3.32Å; V274-L276 HydrophobicContact CB-CD1 4.48Å; V274-L276 HydrophobicContact CG1-CD1 3.62Å; V274-L276 HydrophobicContact CG1-CG 4.09Å; V274-L276 PolarHBondContact O-N 3.13Å |
| 275 | N | 57.4 | Low | 65.5 | Low | 165 Ų | 165 | 82.5 Ų | 82.5 | 88% | 0.882 | 44% | 0.441 | S | S | * | . | trans | -72.5 | 80.8 | 175.8 | -75.3 | -21.5 | 0 | 0 | 0 | 110.8 | ||||
| 276 | L | 56.8 | Low | 65 | Low | 65 Ų | 65 | 81.1 Ų | 81.1 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | trans | -103.2 | 135.9 | 167.9 | -83.6 | 147.4 | 0 | 0 | 0 | 109.6 | F265 W269 V274 | F265-L276 HydrophobicContact CE2-CD1 4.33Å; F265-L276 HydrophobicContact CZ-CD1 4.02Å; W269-L276 VanDerWaalsContact CD1-CD1 3.47Å; V274-L276 VanDerWaalsContact C-N 3.32Å; V274-L276 HydrophobicContact CB-CD1 4.48Å; V274-L276 HydrophobicContact CG1-CD1 3.62Å; V274-L276 HydrophobicContact CG1-CG 4.09Å; V274-L276 PolarHBondContact O-N 3.13Å | ||
| 277 | P | 52.6 | Low | 64.8 | Low | 86 Ų | 86 | 83.7 Ų | 83.7 | 56% | 0.558 | 45% | 0.451 | S | S | * | . | trans | -61.8 | 140.2 | 176.6 | 23.8 | -30.1 | 0 | 0 | 0 | 110.5 | D279 I282 | P277-D279 PolarHBondContact O-N 3.45Å; P277-I282 HydrophobicContact CG-CD1 4.19Å; P277-I282 WeakPolarHBondContact O-CD1 3.44Å | ||
| 278 | S | 46.9 | Very low | 64.8 | Low | 127 Ų | 127 | 86 Ų | 86 | 89% | 0.888 | 46% | 0.462 | S | S | * | . | trans | -81 | 56.6 | -178.2 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 279 | D | 49.1 | Very low | 65 | Low | 103 Ų | 103 | 84.6 Ų | 84.6 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | trans | -81.4 | 140.4 | 173.2 | -85.8 | -24.8 | 0 | 0 | 0 | 111 | P277 L281 I282 | P277-D279 PolarHBondContact O-N 3.45Å; D279-L281 PolarHBondContact O-N 3.34Å; D279-I282 HydrophobicContact CB-CD1 4.07Å; D279-I282 HydrophobicContact CB-CG1 4.35Å; D279-I282 WeakPolarHBondContact O-CB 3.22Å; D279-I282 PolarHBondContact O-N 3.29Å | ||
| 280 | L | 49.6 | Very low | 65.5 | Low | 157 Ų | 157 | 82.4 Ų | 82.4 | 82% | 0.822 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -54.6 | -34.9 | 179.3 | -120 | 101.2 | 0 | 0 | 0 | 112.9 | I282 V283 | L280-I282 VanDerWaalsContact C-N 3.27Å; L280-I282 PolarHBondContact O-N 3.49Å; L280-V283 WeakPolarHBondContact O-CB 3.31Å; L280-V283 PolarHBondContact O-N 3.21Å |
| 281 | L | 52.5 | Low | 66.1 | Low | 133 Ų | 133 | 84 Ų | 84 | 70% | 0.696 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.4 | -29 | 179.6 | -72.2 | 167 | 0 | 0 | 0 | 112.8 | D279 V283 E285 | D279-L281 PolarHBondContact O-N 3.34Å; L281-V283 VanDerWaalsContact C-N 3.29Å; L281-V283 PolarHBondContact O-N 3.36Å; L281-E285 PolarHBondContact O-N 2.84Å |
| 282 | I | 59.4 | Low | 66.7 | Low | 27 Ų | 27 | 80.5 Ų | 80.5 | 14% | 0.138 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -73.4 | -27.1 | -179.7 | -64.2 | 167.9 | 0 | 0 | 0 | 110.4 | W269 P277 D279 L280 E285 C286 | W269-I282 HydrophobicContact CZ2-CG2 4.35Å; P277-I282 HydrophobicContact CG-CD1 4.19Å; P277-I282 WeakPolarHBondContact O-CD1 3.44Å; D279-I282 HydrophobicContact CB-CD1 4.07Å; D279-I282 HydrophobicContact CB-CG1 4.35Å; D279-I282 WeakPolarHBondContact O-CB 3.22Å; D279-I282 PolarHBondContact O-N 3.29Å; L280-I282 VanDerWaalsContact C-N 3.27Å; L280-I282 PolarHBondContact O-N 3.49Å; I282-E285 PolarHBondContact O-N 2.9Å; I282-C286 WeakPolarHBondContact O-CB 3.31Å; I282-C286 PolarHBondContact O-N 2.88Å; I282-C286 PolarHBondContact O-SG 2.82Å; I282-C286 VanDerWaalsContact O-SG 3.4Å |
| 283 | V | 59.9 | Low | 67.7 | Low | 77 Ų | 77 | 70.2 Ų | 70.2 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 177.4 | -176 | 0 | 0 | 0 | 0 | 111 | L280 L281 E285 C286 T287 | L280-V283 WeakPolarHBondContact O-CB 3.31Å; L280-V283 PolarHBondContact O-N 3.21Å; L281-V283 VanDerWaalsContact C-N 3.29Å; L281-V283 PolarHBondContact O-N 3.36Å; V283-E285 VanDerWaalsContact C-N 3.35Å; V283-E285 PolarHBondContact O-N 2.7Å; V283-C286 PolarHBondContact O-N 3.46Å; V283-T287 WeakPolarHBondContact O-CG2 3.42Å; V283-T287 PolarHBondContact O-N 3.44Å; V283-T287 PolarHBondContact O-OG1 3.04Å |
| 284 | D | 65.8 | Low | 68.6 | Low | 104 Ų | 104 | 65.7 Ų | 65.7 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67.5 | -34.2 | 177.2 | -72.6 | -16.3 | 0 | 0 | 0 | 112.3 | T287 N288 | D284-T287 PolarHBondContact O-OG1 3.44Å; D284-N288 WeakPolarHBondContact O-CB 3.38Å; D284-N288 VanDerWaalsContact O-CG 3.31Å; D284-N288 PolarHBondContact O-N 2.92Å; D284-N288 PolarHBondContact O-ND2 2.84Å |
| 285 | E | 70.4 | Confident | 69.9 | Low | 48 Ų | 48 | 66.4 Ų | 66.4 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.4 | -38.2 | 174.8 | -69.4 | -175.5 | 175.3 | 0 | 0 | 111.9 | V221 L281 I282 V283 N288 L289 | V221-E285 HydrophobicContact CB-CB 4.49Å; V221-E285 HydrophobicContact CG1-CB 3.88Å; L281-E285 PolarHBondContact O-N 2.84Å; I282-E285 PolarHBondContact O-N 2.9Å; V283-E285 VanDerWaalsContact C-N 3.35Å; V283-E285 PolarHBondContact O-N 2.7Å; E285-N288 PolarHBondContact O-N 2.67Å; E285-L289 PolarHBondContact O-N 3.49Å |
| 286 | C | 76 | Confident | 71.4 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 175.1 | -76.7 | 0 | 0 | 0 | 0 | 112.3 | W269 I282 V283 N288 L289 E290 | W269-C286 HydrophobicContact CH2-CB 4.14Å; W269-C286 HydrophobicContact CZ3-CB 4.17Å; I282-C286 WeakPolarHBondContact O-CB 3.31Å; I282-C286 PolarHBondContact O-N 2.88Å; I282-C286 PolarHBondContact O-SG 2.82Å; I282-C286 VanDerWaalsContact O-SG 3.4Å; V283-C286 PolarHBondContact O-N 3.46Å; C286-N288 VanDerWaalsContact C-N 3.25Å; C286-N288 PolarHBondContact O-N 2.63Å; C286-L289 WeakPolarHBondContact O-CA 3.09Å; C286-L289 WeakPolarHBondContact O-CB 3.35Å; C286-L289 PolarHBondContact O-N 3.43Å; C286-L289 VanDerWaalsContact O-N 3.07Å; C286-E290 WeakPolarHBondContact O-CG 3.49Å; C286-E290 PolarHBondContact O-N 2.92Å |
| 287 | T | 79.8 | Confident | 72.8 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 34% | 0.337 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 177.2 | 56 | 0 | 0 | 0 | 0 | 111.7 | V283 D284 E290 N291 | V283-T287 WeakPolarHBondContact O-CG2 3.42Å; V283-T287 PolarHBondContact O-N 3.44Å; V283-T287 PolarHBondContact O-OG1 3.04Å; D284-T287 PolarHBondContact O-OG1 3.44Å; T287-E290 PolarHBondContact O-N 3.01Å; T287-N291 VanDerWaalsContact O-CG 3.29Å; T287-N291 PolarHBondContact O-N 3.4Å; T287-N291 PolarHBondContact O-ND2 2.98Å |
| 288 | N | 83.2 | Confident | 74.2 | Confident | 72 Ų | 72 | 57 Ų | 57 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 173.1 | -78.4 | -44.6 | 0 | 0 | 0 | 112.7 | D284 E285 C286 N291 T292 | D284-N288 WeakPolarHBondContact O-CB 3.38Å; D284-N288 VanDerWaalsContact O-CG 3.31Å; D284-N288 PolarHBondContact O-N 2.92Å; D284-N288 PolarHBondContact O-ND2 2.84Å; E285-N288 PolarHBondContact O-N 2.67Å; C286-N288 VanDerWaalsContact C-N 3.25Å; C286-N288 PolarHBondContact O-N 2.63Å; N288-N291 PolarHBondContact O-N 3.48Å; N288-T292 WeakPolarHBondContact O-CG2 3.32Å; N288-T292 PolarHBondContact O-N 3.14Å; N288-T292 PolarHBondContact O-OG1 2.72Å |
| 289 | L | 86.2 | Confident | 76 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 173.2 | -175.5 | 62.8 | 0 | 0 | 0 | 111.2 | V221 K224 Q225 V262 F265 L266 E285 C286 T292 T293 | V221-L289 HydrophobicContact CG1-CB 4.5Å; V221-L289 HydrophobicContact CG1-CD2 4.1Å; K224-L289 HydrophobicContact CB-CD1 4.15Å; Q225-L289 HydrophobicContact CB-CB 4.49Å; Q225-L289 HydrophobicContact CB-CD1 3.97Å; V262-L289 HydrophobicContact CG1-CD1 3.63Å; V262-L289 HydrophobicContact CG1-CD2 3.83Å; V262-L289 HydrophobicContact CG1-CG 3.62Å; V262-L289 HydrophobicContact CG2-CD1 4.42Å; F265-L289 HydrophobicContact CD1-CD2 4.05Å; F265-L289 HydrophobicContact CE1-CD2 4.09Å; L266-L289 HydrophobicContact CD2-CD2 4.16Å; E285-L289 PolarHBondContact O-N 3.49Å; C286-L289 WeakPolarHBondContact O-CA 3.09Å; C286-L289 WeakPolarHBondContact O-CB 3.35Å; C286-L289 PolarHBondContact O-N 3.43Å; C286-L289 VanDerWaalsContact O-N 3.07Å; L289-T292 WeakPolarHBondContact CA-OG1 3.38Å; L289-T292 PolarHBondContact O-N 3.46Å; L289-T292 PolarHBondContact O-OG1 2.98Å; L289-T293 WeakPolarHBondContact O-CG2 3.42Å; L289-T293 PolarHBondContact O-N 3.02Å; L289-T293 PolarHBondContact O-OG1 3.1Å |
| 290 | E | 85.7 | Confident | 77.6 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.1 | -69.5 | 178.1 | -172.6 | 0 | 0 | 112.7 | L266 H270 C286 T287 T292 T293 V294 H342 L345 | L266-E290 HydrophobicContact CD1-CG 3.98Å; L266-E290 HydrophobicContact CD2-CG 3.97Å; H270-E290 IonicContact CE1-OE1 3.07Å; C286-E290 WeakPolarHBondContact O-CG 3.49Å; C286-E290 PolarHBondContact O-N 2.92Å; T287-E290 PolarHBondContact O-N 3.01Å; E290-T292 VanDerWaalsContact C-N 3.31Å; E290-T292 PolarHBondContact O-N 3.14Å; E290-T293 WeakPolarHBondContact CA-OG1 3.4Å; E290-T293 PolarHBondContact O-N 2.72Å; E290-T293 PolarHBondContact O-OG1 2.97Å; E290-V294 VanDerWaalsContact O-CG2 3.28Å; E290-V294 WeakPolarHBondContact O-CG2 3.42Å; E290-V294 PolarHBondContact O-N 3.01Å; E290-H342 IonicContact OE1-CE1 3.67Å; E290-H342 PolarHBondContact OE1-CE1 3.23Å; E290-H342 IonicContact OE1-ND1 2.71Å; E290-H342 PolarHBondContact OE1-ND1 3.5Å; E290-H342 IonicContact OE2-CE1 2.9Å; E290-H342 IonicContact OE2-CG 3.92Å; E290-H342 IonicContact OE2-ND1 3.2Å; E290-H342 PolarHBondContact OE2-ND1 3.16Å; E290-L345 HydrophobicContact CG-CD2 4.17Å |
| 291 | N | 86.7 | Confident | 78.9 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 42% | 0.422 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 175.9 | -73.2 | -29.8 | 0 | 0 | 0 | 111.6 | T287 N288 V294 L295 | T287-N291 VanDerWaalsContact O-CG 3.29Å; T287-N291 PolarHBondContact O-N 3.4Å; T287-N291 PolarHBondContact O-ND2 2.98Å; N288-N291 PolarHBondContact O-N 3.48Å; N291-V294 WeakPolarHBondContact O-CB 3.42Å; N291-V294 PolarHBondContact O-N 3.48Å; N291-L295 WeakPolarHBondContact O-CG 3.44Å; N291-L295 PolarHBondContact O-N 2.86Å; N291-L295 VanDerWaalsContact O-N 3.14Å |
| 292 | T | 87.4 | Confident | 79.9 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.5 | -37.4 | 175 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | Q225 D229 N288 L289 E290 L295 C296 | Q225-T292 HydrophobicContact CG-CG2 3.87Å; D229-T292 HydrophobicContact CB-CG2 4.29Å; N288-T292 WeakPolarHBondContact O-CG2 3.32Å; N288-T292 PolarHBondContact O-N 3.14Å; N288-T292 PolarHBondContact O-OG1 2.72Å; L289-T292 WeakPolarHBondContact CA-OG1 3.38Å; L289-T292 PolarHBondContact O-N 3.46Å; L289-T292 PolarHBondContact O-OG1 2.98Å; E290-T292 VanDerWaalsContact C-N 3.31Å; E290-T292 PolarHBondContact O-N 3.14Å; T292-L295 PolarHBondContact O-N 3Å; T292-C296 PolarHBondContact O-N 3.27Å; T292-C296 PolarHBondContact O-SG 3.3Å; T292-C296 VanDerWaalsContact O-SG 3.35Å |
| 293 | T | 88.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.5 | -36.5 | 175 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | L228 V262 L266 L289 E290 L295 C296 L297 L345 | L228-T293 HydrophobicContact CD2-CG2 3.48Å; L228-T293 VanDerWaalsContact CD2-CG2 3.48Å; V262-T293 HydrophobicContact CB-CG2 3.82Å; V262-T293 HydrophobicContact CG1-CG2 3.26Å; L266-T293 HydrophobicContact CD1-CG2 4.28Å; L289-T293 WeakPolarHBondContact O-CG2 3.42Å; L289-T293 PolarHBondContact O-N 3.02Å; L289-T293 PolarHBondContact O-OG1 3.1Å; E290-T293 WeakPolarHBondContact CA-OG1 3.4Å; E290-T293 PolarHBondContact O-N 2.72Å; E290-T293 PolarHBondContact O-OG1 2.97Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 3.18Å; T293-C296 PolarHBondContact O-N 2.94Å; T293-L297 WeakPolarHBondContact O-CB 3.46Å; T293-L297 WeakPolarHBondContact O-CG 3.24Å; T293-L297 PolarHBondContact O-N 3.48Å; T293-L345 WeakPolarHBondContact OG1-CD1 3.49Å |
| 294 | V | 86.7 | Confident | 81.1 | Confident | 6 Ų | 6 | 32.5 Ų | 32.5 | 4% | 0.036 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.7 | -47.4 | 171.7 | 166 | 0 | 0 | 0 | 0 | 111.2 | E290 N291 C296 L297 R298 D344 L345 A348 | E290-V294 VanDerWaalsContact O-CG2 3.28Å; E290-V294 WeakPolarHBondContact O-CG2 3.42Å; E290-V294 PolarHBondContact O-N 3.01Å; N291-V294 WeakPolarHBondContact O-CB 3.42Å; N291-V294 PolarHBondContact O-N 3.48Å; V294-C296 PolarHBondContact O-N 2.78Å; V294-L297 PolarHBondContact O-N 3.35Å; V294-R298 WeakPolarHBondContact O-CG 3.21Å; V294-R298 PolarHBondContact O-N 2.96Å; V294-D344 HydrophobicContact CG2-CB 4.07Å; V294-L345 VanDerWaalsContact CG2-CA 3.42Å; V294-L345 HydrophobicContact CG2-CB 4.1Å; V294-L345 HydrophobicContact CG2-CD1 4.19Å; V294-A348 HydrophobicContact CB-CB 4.2Å; V294-A348 HydrophobicContact CG1-CB 4.04Å; V294-A348 HydrophobicContact CG2-CB 4.03Å |
| 295 | L | 88.3 | Confident | 81.1 | Confident | 65 Ų | 65 | 30.9 Ų | 30.9 | 34% | 0.34 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 177.9 | -68.6 | 173.7 | 0 | 0 | 0 | 111.7 | Y232 N291 T292 T293 R298 L299 | Y232-L295 HydrophobicContact CD2-CB 4.17Å; Y232-L295 HydrophobicContact CE1-CB 4.33Å; Y232-L295 HydrophobicContact CE1-CD1 4.26Å; Y232-L295 HydrophobicContact CE2-CB 3.89Å; N291-L295 WeakPolarHBondContact O-CG 3.44Å; N291-L295 PolarHBondContact O-N 2.86Å; N291-L295 VanDerWaalsContact O-N 3.14Å; T292-L295 PolarHBondContact O-N 3Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 3.18Å; L295-R298 PolarHBondContact O-N 3.01Å; L295-L299 WeakPolarHBondContact O-CB 3.43Å; L295-L299 PolarHBondContact O-N 3.13Å |
| 296 | C | 88 | Confident | 80.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 174.8 | -67.1 | 0 | 0 | 0 | 0 | 112.5 | I255 T292 T293 V294 R298 L299 L300 | I255-C296 HydrophobicContact CD1-CB 4.32Å; T292-C296 PolarHBondContact O-N 3.27Å; T292-C296 PolarHBondContact O-SG 3.3Å; T292-C296 VanDerWaalsContact O-SG 3.35Å; T293-C296 PolarHBondContact O-N 2.94Å; V294-C296 PolarHBondContact O-N 2.78Å; C296-R298 PolarHBondContact O-N 2.76Å; C296-L299 PolarHBondContact O-N 3.41Å; C296-L300 WeakPolarHBondContact O-CB 3.36Å; C296-L300 VanDerWaalsContact O-CG 3.32Å; C296-L300 WeakPolarHBondContact O-CG 2.92Å; C296-L300 PolarHBondContact O-N 3.11Å |
| 297 | L | 85.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -38.6 | -179.5 | -74.4 | 172.7 | 0 | 0 | 0 | 112.2 | L263 T293 V294 L300 S301 L324 L345 A348 I349 F352 | L263-L297 HydrophobicContact CD1-CD1 4.49Å; L263-L297 HydrophobicContact CD1-CD2 4.46Å; T293-L297 WeakPolarHBondContact O-CB 3.46Å; T293-L297 WeakPolarHBondContact O-CG 3.24Å; T293-L297 PolarHBondContact O-N 3.48Å; V294-L297 PolarHBondContact O-N 3.35Å; L297-L300 PolarHBondContact O-N 2.6Å; L297-S301 PolarHBondContact O-N 3.31Å; L297-L324 HydrophobicContact CD2-CD2 4.4Å; L297-L345 HydrophobicContact CD1-CD1 4.36Å; L297-A348 HydrophobicContact CB-CB 3.83Å; L297-A348 HydrophobicContact CD1-CB 3.91Å; L297-I349 HydrophobicContact CD1-CG1 3.64Å; L297-F352 HydrophobicContact CD2-CB 4.35Å; L297-F352 HydrophobicContact CD2-CD1 4.29Å; L297-F352 HydrophobicContact CD2-CG 4.13Å |
| 298 | R | 83.7 | Confident | 79.2 | Confident | 119 Ų | 119 | 37 Ų | 37 | 45% | 0.449 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.8 | -38.6 | 173.9 | -72.8 | 179.2 | -178 | 170.6 | 5.6 | 112.4 | V294 L295 C296 S301 M302 | V294-R298 WeakPolarHBondContact O-CG 3.21Å; V294-R298 PolarHBondContact O-N 2.96Å; L295-R298 PolarHBondContact O-N 3.01Å; C296-R298 PolarHBondContact O-N 2.76Å; R298-S301 PolarHBondContact O-N 3.37Å; R298-S301 PolarHBondContact O-OG 3.34Å; R298-M302 WeakPolarHBondContact O-CB 3.45Å; R298-M302 PolarHBondContact O-N 3.3Å |
| 299 | L | 83 | Confident | 78.1 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -45.5 | 174.3 | -171.6 | 71.7 | 0 | 0 | 0 | 110.4 | Y232 T235 D236 I239 I255 L295 C296 S301 M302 I303 | Y232-L299 HydrophobicContact CD2-CB 4.28Å; Y232-L299 HydrophobicContact CD2-CD2 3.87Å; Y232-L299 HydrophobicContact CE2-CB 4.04Å; Y232-L299 HydrophobicContact CE2-CD2 4.06Å; Y232-L299 HydrophobicContact CE2-CG 4.44Å; T235-L299 WeakPolarHBondContact OG1-CD2 3.31Å; D236-L299 HydrophobicContact CB-CD1 4.32Å; D236-L299 HydrophobicContact CB-CD2 4.34Å; I239-L299 HydrophobicContact CD1-CD1 3.89Å; I239-L299 HydrophobicContact CD1-CD2 4.16Å; I239-L299 HydrophobicContact CD1-CG 4.07Å; I255-L299 HydrophobicContact CD1-CD2 4.04Å; L295-L299 WeakPolarHBondContact O-CB 3.43Å; L295-L299 PolarHBondContact O-N 3.13Å; C296-L299 PolarHBondContact O-N 3.41Å; L299-S301 PolarHBondContact O-N 2.96Å; L299-M302 PolarHBondContact O-N 3.47Å; L299-I303 HydrophobicContact CG-CD1 4.1Å; L299-I303 WeakPolarHBondContact O-CD1 3.49Å; L299-I303 VanDerWaalsContact O-CG1 3.23Å; L299-I303 WeakPolarHBondContact O-CG1 3.28Å; L299-I303 PolarHBondContact O-N 3.31Å |
| 300 | L | 83.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 174.5 | -73.7 | 176.6 | 0 | 0 | 0 | 111.7 | I255 Y256 C296 L297 M302 I303 E304 L324 F352 | I255-L300 HydrophobicContact CD1-CG 4.47Å; I255-L300 HydrophobicContact CG1-CD1 4.44Å; I255-L300 HydrophobicContact CG1-CD2 4.28Å; I255-L300 HydrophobicContact CG1-CG 4.33Å; I255-L300 HydrophobicContact CG2-CD2 3.65Å; Y256-L300 HydrophobicContact CD1-CD1 4.04Å; Y256-L300 HydrophobicContact CD1-CD2 4.04Å; Y256-L300 HydrophobicContact CD2-CD2 4.21Å; Y256-L300 HydrophobicContact CE1-CD1 4.22Å; Y256-L300 HydrophobicContact CE1-CD2 3.69Å; Y256-L300 HydrophobicContact CE1-CG 4.43Å; Y256-L300 HydrophobicContact CE2-CD2 3.84Å; Y256-L300 HydrophobicContact CG-CD2 4.27Å; C296-L300 WeakPolarHBondContact O-CB 3.36Å; C296-L300 VanDerWaalsContact O-CG 3.32Å; C296-L300 WeakPolarHBondContact O-CG 2.92Å; C296-L300 PolarHBondContact O-N 3.11Å; L297-L300 PolarHBondContact O-N 2.6Å; L300-M302 VanDerWaalsContact C-N 3.33Å; L300-M302 PolarHBondContact O-N 3.05Å; L300-I303 HydrophobicContact CD2-CD1 4.44Å; L300-I303 PolarHBondContact O-N 3.23Å; L300-E304 VanDerWaalsContact O-CG 3.23Å; L300-E304 WeakPolarHBondContact O-CG 3.23Å; L300-E304 PolarHBondContact O-N 3.48Å; L300-L324 HydrophobicContact CD1-CD2 3.78Å; L300-F352 HydrophobicContact CB-CD2 4.03Å; L300-F352 HydrophobicContact CB-CE2 3.81Å; L300-F352 HydrophobicContact CD1-CE2 4.34Å |
| 301 | S | 75.9 | Confident | 74.9 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 177.1 | 75.3 | 0 | 0 | 0 | 0 | 111.8 | L297 R298 L299 E304 Q305 D351 | L297-S301 PolarHBondContact O-N 3.31Å; R298-S301 PolarHBondContact O-N 3.37Å; R298-S301 PolarHBondContact O-OG 3.34Å; L299-S301 PolarHBondContact O-N 2.96Å; S301-E304 PolarHBondContact O-N 3.42Å; S301-Q305 VanDerWaalsContact O-CG 3.31Å; S301-Q305 WeakPolarHBondContact O-CG 3.1Å; S301-Q305 PolarHBondContact O-N 3Å; S301-D351 PolarHBondContact OG-OD2 3.48Å |
| 302 | M | 74.4 | Confident | 73 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 41% | 0.409 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.9 | -169.7 | -168.8 | -57.5 | 0 | 0 | 112.8 | R298 L299 L300 Q305 R306 | R298-M302 WeakPolarHBondContact O-CB 3.45Å; R298-M302 PolarHBondContact O-N 3.3Å; L299-M302 PolarHBondContact O-N 3.47Å; L300-M302 VanDerWaalsContact C-N 3.33Å; L300-M302 PolarHBondContact O-N 3.05Å; M302-Q305 PolarHBondContact O-N 2.96Å; M302-R306 PolarHBondContact O-N 2.88Å; M302-R306 VanDerWaalsContact O-N 3.14Å |
| 303 | I | 73.7 | Confident | 70.6 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 177.3 | -69.1 | 163.2 | 0 | 0 | 0 | 109.8 | I239 Y247 L252 L299 L300 Q305 R306 I307 | I239-I303 HydrophobicContact CD1-CD1 3.44Å; I239-I303 VanDerWaalsContact CD1-CD1 3.44Å; I239-I303 HydrophobicContact CD1-CG1 3.54Å; I239-I303 HydrophobicContact CG1-CG1 4.41Å; Y247-I303 HydrophobicContact CD1-CG2 3.77Å; Y247-I303 HydrophobicContact CE1-CG2 3.92Å; L252-I303 HydrophobicContact CD1-CG2 4.34Å; L252-I303 HydrophobicContact CD2-CD1 3.83Å; L299-I303 HydrophobicContact CG-CD1 4.1Å; L299-I303 WeakPolarHBondContact O-CD1 3.49Å; L299-I303 VanDerWaalsContact O-CG1 3.23Å; L299-I303 WeakPolarHBondContact O-CG1 3.28Å; L299-I303 PolarHBondContact O-N 3.31Å; L300-I303 HydrophobicContact CD2-CD1 4.44Å; L300-I303 PolarHBondContact O-N 3.23Å; I303-Q305 VanDerWaalsContact C-N 3.33Å; I303-Q305 PolarHBondContact O-N 3.48Å; I303-R306 WeakPolarHBondContact O-CB 3.48Å; I303-R306 PolarHBondContact O-N 3.2Å; I303-R306 VanDerWaalsContact O-N 3.08Å; I303-I307 HydrophobicContact CG2-CD1 3.73Å; I303-I307 HydrophobicContact CG2-CG1 4.38Å; I303-I307 WeakPolarHBondContact O-CG1 3.47Å; I303-I307 PolarHBondContact O-N 2.93Å |
| 304 | E | 70.7 | Confident | 68.3 | Low | 13 Ų | 13 | 63.3 Ų | 63.3 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 178.4 | -67.8 | -69.8 | 178.7 | 0 | 0 | 111.8 | Y256 L300 S301 R306 I307 V308 Q321 F356 | Y256-E304 PolarHBondContact OH-OE1 3.32Å; L300-E304 VanDerWaalsContact O-CG 3.23Å; L300-E304 WeakPolarHBondContact O-CG 3.23Å; L300-E304 PolarHBondContact O-N 3.48Å; S301-E304 PolarHBondContact O-N 3.42Å; E304-R306 VanDerWaalsContact C-N 3.27Å; E304-R306 PolarHBondContact O-N 3.38Å; E304-I307 PolarHBondContact O-N 3.23Å; E304-I307 VanDerWaalsContact O-N 3.15Å; E304-V308 WeakPolarHBondContact O-CG2 3.38Å; E304-V308 PolarHBondContact O-N 3.41Å; E304-Q321 VanDerWaalsContact CD-NE2 3.27Å; E304-Q321 PolarHBondContact OE1-NE2 3.36Å; E304-Q321 PolarHBondContact OE2-NE2 3.34Å; E304-F356 HydrophobicContact CG-CE2 4.41Å; E304-F356 HydrophobicContact CG-CZ 3.9Å |
| 305 | Q | 65.3 | Low | 66.4 | Low | 69 Ų | 69 | 69.5 Ų | 69.5 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.3 | -38.8 | 174.4 | -74.6 | 178.5 | 14.3 | 0 | 0 | 112.6 | S301 M302 I303 K309 H355 | S301-Q305 VanDerWaalsContact O-CG 3.31Å; S301-Q305 WeakPolarHBondContact O-CG 3.1Å; S301-Q305 PolarHBondContact O-N 3Å; M302-Q305 PolarHBondContact O-N 2.96Å; I303-Q305 VanDerWaalsContact C-N 3.33Å; I303-Q305 PolarHBondContact O-N 3.48Å; Q305-K309 WeakPolarHBondContact O-CG 3.44Å; Q305-K309 PolarHBondContact O-N 3.32Å; Q305-H355 PolarHBondContact NE2-CE1 3.05Å; Q305-H355 PolarHBondContact NE2-NE2 3.41Å |
| 306 | R | 66 | Low | 64.4 | Low | 98 Ų | 98 | 75.6 Ų | 75.6 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 176.5 | -68.8 | -176.4 | -176.2 | -176.7 | 3.4 | 111.3 | I239 Y247 M302 I303 E304 K309 L310 | I239-R306 VanDerWaalsContact CG2-NH1 3.35Å; Y247-R306 HydrophobicContact CE1-CB 4.4Å; Y247-R306 WeakPolarHBondContact OH-CB 3.39Å; Y247-R306 VanDerWaalsContact OH-CD 3.23Å; Y247-R306 WeakPolarHBondContact OH-CD 3.11Å; M302-R306 PolarHBondContact O-N 2.88Å; M302-R306 VanDerWaalsContact O-N 3.14Å; I303-R306 WeakPolarHBondContact O-CB 3.48Å; I303-R306 PolarHBondContact O-N 3.2Å; I303-R306 VanDerWaalsContact O-N 3.08Å; E304-R306 VanDerWaalsContact C-N 3.27Å; E304-R306 PolarHBondContact O-N 3.38Å; R306-K309 PolarHBondContact O-N 3.47Å; R306-L310 WeakPolarHBondContact O-CD1 3.48Å; R306-L310 WeakPolarHBondContact O-CG 3.41Å; R306-L310 PolarHBondContact O-N 3.24Å |
| 307 | I | 63.2 | Low | 62.7 | Low | 55 Ų | 55 | 76.8 Ų | 76.8 | 28% | 0.282 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 176.8 | -66.1 | 168.5 | 0 | 0 | 0 | 111 | Y247 I303 E304 K309 L310 | Y247-I307 HydrophobicContact CD1-CD1 3.85Å; Y247-I307 HydrophobicContact CD1-CG1 3.6Å; Y247-I307 HydrophobicContact CD2-CG1 4.16Å; Y247-I307 HydrophobicContact CE1-CG1 4.2Å; Y247-I307 HydrophobicContact CG-CD1 4.05Å; Y247-I307 HydrophobicContact CG-CG1 3.59Å; I303-I307 HydrophobicContact CG2-CD1 3.73Å; I303-I307 HydrophobicContact CG2-CG1 4.38Å; I303-I307 WeakPolarHBondContact O-CG1 3.47Å; I303-I307 PolarHBondContact O-N 2.93Å; E304-I307 PolarHBondContact O-N 3.23Å; E304-I307 VanDerWaalsContact O-N 3.15Å; I307-K309 VanDerWaalsContact C-N 3.32Å; I307-K309 PolarHBondContact O-N 3.49Å; I307-L310 PolarHBondContact O-N 2.93Å |
| 308 | V | 58.2 | Low | 61.3 | Low | 82 Ų | 82 | 82 Ų | 82 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | E304 L310 N311 | E304-V308 WeakPolarHBondContact O-CG2 3.38Å; E304-V308 PolarHBondContact O-N 3.41Å; V308-L310 PolarHBondContact O-N 3.32Å; V308-N311 PolarHBondContact O-N 2.87Å |
| 309 | K | 58.2 | Low | 60.4 | Low | 170 Ų | 170 | 82.2 Ų | 82.2 | 74% | 0.739 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64 | -24 | 177.1 | -76.4 | 177.9 | -177.5 | 179.3 | 0 | 113.7 | Q305 R306 I307 N311 | Q305-K309 WeakPolarHBondContact O-CG 3.44Å; Q305-K309 PolarHBondContact O-N 3.32Å; R306-K309 PolarHBondContact O-N 3.47Å; I307-K309 VanDerWaalsContact C-N 3.32Å; I307-K309 PolarHBondContact O-N 3.49Å; K309-N311 VanDerWaalsContact C-N 3.31Å |
| 310 | L | 58.6 | Low | 59.6 | Low | 91 Ų | 91 | 85.9 Ų | 85.9 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -6.1 | -178.7 | -74.1 | 162.6 | 0 | 0 | 0 | 113.5 | Y247 R306 I307 V308 Q312 | Y247-L310 HydrophobicContact CD2-CD1 4.05Å; Y247-L310 HydrophobicContact CE2-CD1 3.69Å; R306-L310 WeakPolarHBondContact O-CD1 3.48Å; R306-L310 WeakPolarHBondContact O-CG 3.41Å; R306-L310 PolarHBondContact O-N 3.24Å; I307-L310 PolarHBondContact O-N 2.93Å; V308-L310 PolarHBondContact O-N 3.32Å; L310-Q312 WeakPolarHBondContact O-CG 2.67Å; L310-Q312 PolarHBondContact O-N 3.15Å |
| 311 | N | 47.8 | Very low | 59 | Low | 147 Ų | 147 | 86.7 Ų | 86.7 | 79% | 0.786 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 36.3 | 172 | -96.4 | -5.2 | 0 | 0 | 0 | 114.8 | V308 K309 P313 | V308-N311 PolarHBondContact O-N 2.87Å; K309-N311 VanDerWaalsContact C-N 3.31Å; N311-P313 WeakPolarHBondContact O-CD 3.42Å |
| 312 | Q | 45.8 | Very low | 58.7 | Low | 120 Ų | 120 | 92.3 Ų | 92.3 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | trans | -99.4 | 111.2 | 177.4 | -68.5 | -162.8 | -5.8 | 0 | 0 | 111.4 | L310 G314 Y315 | L310-Q312 WeakPolarHBondContact O-CG 2.67Å; L310-Q312 PolarHBondContact O-N 3.15Å; Q312-G314 PolarHBondContact O-N 3.36Å; Q312-Y315 HydrophobicContact CB-CE2 4.5Å | ||
| 313 | P | 37 | Very low | 58.6 | Low | 137 Ų | 137 | 93.1 Ų | 93.1 | 89% | 0.89 | 47% | 0.471 | S | S | * | . | trans | -84.5 | 103.2 | 178.3 | 32.6 | -29.7 | 0 | 0 | 0 | 109.6 | N311 | N311-P313 WeakPolarHBondContact O-CD 3.42Š| ||
| 314 | G | 39.9 | Very low | 59 | Low | 60 Ų | 60 | 93 Ų | 93 | 62% | 0.619 | 47% | 0.47 | S | S | * | . | trans | 143.9 | 79 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q312 | Q312-G314 PolarHBondContact O-N 3.36Š| ||
| 315 | Y | 47.8 | Very low | 59 | Low | 137 Ų | 137 | 93.4 Ų | 93.4 | 54% | 0.537 | 47% | 0.473 | S | S | . | . | trans | -142.2 | 131.2 | 168.8 | -80.9 | -78 | 0 | 0 | 0 | 112 | Q312 C317 F318 | Q312-Y315 HydrophobicContact CB-CE2 4.5Å; Y315-C317 PolarHBondContact O-N 3.14Å; Y315-F318 WeakPolarHBondContact O-CD2 3.45Å | ||
| 316 | E | 46.5 | Very low | 59.4 | Low | 193 Ų | 193 | 98.3 Ų | 98.3 | 90% | 0.902 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -71.2 | 11.9 | -172 | -61.5 | 179.9 | 151.9 | 0 | 0 | 114.8 | F318 | E316-F318 PolarHBondContact O-N 2.96Š|
| 317 | C | 50.9 | Low | 60 | Low | 25 Ų | 25 | 94.4 Ų | 94.4 | 17% | 0.169 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -2.9 | -179.7 | -95.6 | 0 | 0 | 0 | 0 | 114.9 | N253 Y315 N319 Q321 | N253-C317 PolarHBondContact OD1-SG 2.93Å; Y315-C317 PolarHBondContact O-N 3.14Å; C317-N319 VanDerWaalsContact C-N 3.3Å; C317-N319 PolarHBondContact O-N 3.39Å; C317-N319 VanDerWaalsContact O-N 3.13Å; C317-Q321 VanDerWaalsContact O-CB 3.28Å; C317-Q321 WeakPolarHBondContact O-CB 3.33Å |
| 318 | F | 56.3 | Low | 60.7 | Low | 108 Ų | 108 | 91.8 Ų | 91.8 | 47% | 0.474 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60 | -28.2 | -170.8 | -78.8 | -70.6 | 0 | 0 | 0 | 115.4 | Y315 E316 K322 | Y315-F318 WeakPolarHBondContact O-CD2 3.45Å; E316-F318 PolarHBondContact O-N 2.96Å; F318-K322 HydrophobicContact CB-CD 4.21Å; F318-K322 WeakPolarHBondContact O-CB 3.36Å; F318-K322 WeakPolarHBondContact O-CD 3.4Å; F318-K322 WeakPolarHBondContact O-CG 3.49Å; F318-K322 PolarHBondContact O-N 3Å |
| 319 | N | 65.5 | Low | 61.2 | Low | 125 Ų | 125 | 91.4 Ų | 91.4 | 67% | 0.668 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -73.5 | -53.8 | -169.4 | -74.1 | -8.9 | 0 | 0 | 0 | 113.4 | C317 K322 L323 | C317-N319 VanDerWaalsContact C-N 3.3Å; C317-N319 PolarHBondContact O-N 3.39Å; C317-N319 VanDerWaalsContact O-N 3.13Å; N319-K322 PolarHBondContact O-N 3.18Å; N319-L323 WeakPolarHBondContact O-CB 3.43Å; N319-L323 PolarHBondContact O-N 3.25Å |
| 320 | H | 66 | Low | 61.9 | Low | 82 Ų | 82 | 88.2 Ų | 88.2 | 38% | 0.38 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.3 | -35.5 | 179.2 | -64 | 90.6 | 0 | 0 | 0 | 111.5 | L323 L324 | H320-L323 WeakPolarHBondContact O-CB 3.41Å; H320-L323 PolarHBondContact O-N 2.99Å; H320-L324 PolarHBondContact O-N 3.18Å |
| 321 | Q | 70.3 | Confident | 62.7 | Low | 17 Ų | 17 | 84 Ų | 84 | 8% | 0.079 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 174.6 | -172.2 | -169.9 | 37.4 | 0 | 0 | 112 | Y256 E304 C317 L323 L324 N325 F356 | Y256-Q321 HydrophobicContact CD1-CB 4.41Å; Y256-Q321 HydrophobicContact CE1-CB 4.32Å; Y256-Q321 HydrophobicContact CE1-CG 4.13Å; E304-Q321 VanDerWaalsContact CD-NE2 3.27Å; E304-Q321 PolarHBondContact OE1-NE2 3.36Å; E304-Q321 PolarHBondContact OE2-NE2 3.34Å; C317-Q321 VanDerWaalsContact O-CB 3.28Å; C317-Q321 WeakPolarHBondContact O-CB 3.33Å; Q321-L323 VanDerWaalsContact C-N 3.32Å; Q321-L323 PolarHBondContact O-N 3.45Å; Q321-L324 PolarHBondContact O-N 3.32Å; Q321-N325 WeakPolarHBondContact O-CB 3.49Å; Q321-N325 PolarHBondContact O-N 3.1Å; Q321-F356 HydrophobicContact CG-CE1 3.93Å; Q321-F356 HydrophobicContact CG-CZ 3.72Å |
| 322 | K | 69.7 | Low | 63.6 | Low | 125 Ų | 125 | 78.5 Ų | 78.5 | 54% | 0.543 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 174.8 | -77 | 171.4 | -178.2 | 175.7 | 0 | 112.1 | F318 N319 R326 | F318-K322 HydrophobicContact CB-CD 4.21Å; F318-K322 WeakPolarHBondContact O-CB 3.36Å; F318-K322 WeakPolarHBondContact O-CD 3.4Å; F318-K322 WeakPolarHBondContact O-CG 3.49Å; F318-K322 PolarHBondContact O-N 3Å; N319-K322 PolarHBondContact O-N 3.18Å; K322-R326 WeakPolarHBondContact O-CB 3.29Å; K322-R326 PolarHBondContact O-N 2.99Å |
| 323 | L | 73.8 | Confident | 64.6 | Low | 99 Ų | 99 | 80.4 Ų | 80.4 | 52% | 0.518 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.9 | -49.2 | 176.4 | -166.7 | 90.5 | 0 | 0 | 0 | 110.5 | N319 H320 Q321 N325 R326 I327 | N319-L323 WeakPolarHBondContact O-CB 3.43Å; N319-L323 PolarHBondContact O-N 3.25Å; H320-L323 WeakPolarHBondContact O-CB 3.41Å; H320-L323 PolarHBondContact O-N 2.99Å; Q321-L323 VanDerWaalsContact C-N 3.32Å; Q321-L323 PolarHBondContact O-N 3.45Å; L323-N325 PolarHBondContact O-N 3.18Å; L323-R326 PolarHBondContact O-N 3.43Å; L323-I327 HydrophobicContact CD2-CD1 4.12Å; L323-I327 HydrophobicContact CG-CD1 4.06Å; L323-I327 VanDerWaalsContact O-CG1 3.31Å; L323-I327 WeakPolarHBondContact O-CG1 3.09Å; L323-I327 PolarHBondContact O-N 3.18Å |
| 324 | L | 80.6 | Confident | 66.1 | Low | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 178.2 | -174.4 | 63.7 | 0 | 0 | 0 | 111.3 | Y256 S259 L263 L297 L300 H320 Q321 R326 I327 C328 F352 | Y256-L324 HydrophobicContact CD1-CD2 3.78Å; S259-L324 WeakPolarHBondContact OG-CD1 3.47Å; S259-L324 VanDerWaalsContact OG-CD2 3.28Å; S259-L324 WeakPolarHBondContact OG-CD2 3.35Å; L263-L324 HydrophobicContact CD1-CD1 3.79Å; L297-L324 HydrophobicContact CD2-CD2 4.4Å; L300-L324 HydrophobicContact CD1-CD2 3.78Å; H320-L324 PolarHBondContact O-N 3.18Å; Q321-L324 PolarHBondContact O-N 3.32Å; L324-R326 VanDerWaalsContact C-N 3.32Å; L324-R326 PolarHBondContact O-N 2.92Å; L324-I327 WeakPolarHBondContact O-CB 3.48Å; L324-I327 PolarHBondContact O-N 3.44Å; L324-I327 VanDerWaalsContact O-N 3.16Å; L324-C328 WeakPolarHBondContact O-CB 3.46Å; L324-C328 PolarHBondContact O-N 3.09Å; L324-C328 PolarHBondContact O-SG 3.36Å; L324-F352 HydrophobicContact CB-CE1 4.43Å; L324-F352 HydrophobicContact CD2-CE1 3.67Å; L324-F352 HydrophobicContact CD2-CE2 4.34Å; L324-F352 HydrophobicContact CD2-CZ 3.56Å; L324-F352 HydrophobicContact CG-CE1 3.82Å; L324-F352 HydrophobicContact CG-CZ 4.17Å |
| 325 | N | 72.7 | Confident | 67.4 | Low | 20 Ų | 20 | 77.7 Ų | 77.7 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 175.2 | -79.1 | -17.7 | 0 | 0 | 0 | 111.7 | Q321 L323 I327 C328 F329 F352 F356 | Q321-N325 WeakPolarHBondContact O-CB 3.49Å; Q321-N325 PolarHBondContact O-N 3.1Å; L323-N325 PolarHBondContact O-N 3.18Å; N325-I327 VanDerWaalsContact C-N 3.33Å; N325-I327 PolarHBondContact O-N 2.85Å; N325-C328 WeakPolarHBondContact O-CB 3.34Å; N325-C328 PolarHBondContact O-N 3.07Å; N325-F329 WeakPolarHBondContact O-CD2 3.33Å; N325-F329 PolarHBondContact O-N 3.04Å; N325-F352 WeakPolarHBondContact OD1-CE1 3.36Å; N325-F356 VanDerWaalsContact ND2-CD2 3.33Å; N325-F356 WeakPolarHBondContact ND2-CD2 3.47Å; N325-F356 WeakPolarHBondContact ND2-CG 3.49Å; N325-F356 VanDerWaalsContact OD1-CD2 3.22Å; N325-F356 WeakPolarHBondContact OD1-CD2 3.43Å |
| 326 | R | 73.3 | Confident | 68.4 | Low | 172 Ų | 172 | 72.5 Ų | 72.5 | 65% | 0.649 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 177.8 | -175.5 | 179.2 | 175.6 | 177.5 | -0.1 | 111.9 | K322 L323 L324 F329 Q330 | K322-R326 WeakPolarHBondContact O-CB 3.29Å; K322-R326 PolarHBondContact O-N 2.99Å; L323-R326 PolarHBondContact O-N 3.43Å; L324-R326 VanDerWaalsContact C-N 3.32Å; L324-R326 PolarHBondContact O-N 2.92Å; R326-F329 PolarHBondContact O-N 2.87Å; R326-Q330 WeakPolarHBondContact O-CG 3.14Å; R326-Q330 PolarHBondContact O-N 2.93Å |
| 327 | I | 77.6 | Confident | 69.6 | Low | 16 Ų | 16 | 63.4 Ų | 63.4 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 176 | -66.8 | 160.5 | 0 | 0 | 0 | 110 | L263 T264 L323 L324 N325 F329 Q330 I331 | L263-I327 HydrophobicContact CB-CG2 3.86Å; T264-I327 HydrophobicContact CG2-CD1 3.72Å; T264-I327 HydrophobicContact CG2-CG1 3.88Å; T264-I327 HydrophobicContact CG2-CG2 3.84Å; L323-I327 HydrophobicContact CD2-CD1 4.12Å; L323-I327 HydrophobicContact CG-CD1 4.06Å; L323-I327 VanDerWaalsContact O-CG1 3.31Å; L323-I327 WeakPolarHBondContact O-CG1 3.09Å; L323-I327 PolarHBondContact O-N 3.18Å; L324-I327 WeakPolarHBondContact O-CB 3.48Å; L324-I327 PolarHBondContact O-N 3.44Å; L324-I327 VanDerWaalsContact O-N 3.16Å; N325-I327 VanDerWaalsContact C-N 3.33Å; N325-I327 PolarHBondContact O-N 2.85Å; I327-F329 VanDerWaalsContact C-N 3.32Å; I327-F329 PolarHBondContact O-N 3.47Å; I327-Q330 PolarHBondContact O-N 3.43Å; I327-I331 HydrophobicContact CG2-CD1 3.69Å; I327-I331 HydrophobicContact CG2-CG1 4.39Å; I327-I331 WeakPolarHBondContact O-CG1 3.49Å; I327-I331 PolarHBondContact O-N 2.88Å |
| 328 | C | 78 | Confident | 70.1 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.7 | -42 | 176.6 | -73.6 | 0 | 0 | 0 | 0 | 112.1 | L324 N325 I331 L332 I349 N353 | L324-C328 WeakPolarHBondContact O-CB 3.46Å; L324-C328 PolarHBondContact O-N 3.09Å; L324-C328 PolarHBondContact O-SG 3.36Å; N325-C328 WeakPolarHBondContact O-CB 3.34Å; N325-C328 PolarHBondContact O-N 3.07Å; C328-I331 PolarHBondContact O-N 3.31Å; C328-L332 WeakPolarHBondContact O-CG 3.32Å; C328-L332 PolarHBondContact O-N 3.45Å; C328-I349 HydrophobicContact CB-CG2 3.74Å; C328-N353 WeakPolarHBondContact CB-ND2 3.26Å; C328-N353 WeakPolarHBondContact CB-OD1 3.36Å |
| 329 | F | 69.8 | Low | 70.4 | Confident | 75 Ų | 75 | 63.6 Ų | 63.6 | 33% | 0.329 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 174.4 | -86.2 | -69.3 | 0 | 0 | 0 | 112.5 | N325 R326 I327 I331 L332 E333 L357 | N325-F329 WeakPolarHBondContact O-CD2 3.33Å; N325-F329 PolarHBondContact O-N 3.04Å; R326-F329 PolarHBondContact O-N 2.87Å; I327-F329 VanDerWaalsContact C-N 3.32Å; I327-F329 PolarHBondContact O-N 3.47Å; F329-I331 VanDerWaalsContact C-N 3.3Å; F329-I331 PolarHBondContact O-N 2.89Å; F329-L332 PolarHBondContact O-N 2.81Å; F329-E333 PolarHBondContact O-N 2.52Å; F329-E333 VanDerWaalsContact O-N 3.16Å; F329-L357 HydrophobicContact CE1-CD1 4.34Å; F329-L357 HydrophobicContact CZ-CD1 4.04Å |
| 330 | Q | 72.2 | Confident | 69.7 | Low | 103 Ų | 103 | 61 Ų | 61 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 177 | -73.4 | 176 | -29 | 0 | 0 | 112.1 | R326 I327 E333 S334 | R326-Q330 WeakPolarHBondContact O-CG 3.14Å; R326-Q330 PolarHBondContact O-N 2.93Å; I327-Q330 PolarHBondContact O-N 3.43Å; Q330-E333 PolarHBondContact O-N 2.86Å; Q330-S334 PolarHBondContact O-N 3.01Å |
| 331 | I | 75 | Confident | 69.7 | Low | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 177.3 | -68.9 | 170 | 0 | 0 | 0 | 111 | L263 I327 C328 F329 E333 S334 W336 I337 I349 | L263-I331 HydrophobicContact CB-CD1 3.62Å; L263-I331 HydrophobicContact CD1-CD1 4.47Å; L263-I331 HydrophobicContact CD2-CD1 4Å; L263-I331 HydrophobicContact CG-CD1 4.24Å; L263-I331 WeakPolarHBondContact O-CD1 3.38Å; I327-I331 HydrophobicContact CG2-CD1 3.69Å; I327-I331 HydrophobicContact CG2-CG1 4.39Å; I327-I331 WeakPolarHBondContact O-CG1 3.49Å; I327-I331 PolarHBondContact O-N 2.88Å; C328-I331 PolarHBondContact O-N 3.31Å; F329-I331 VanDerWaalsContact C-N 3.3Å; F329-I331 PolarHBondContact O-N 2.89Å; I331-E333 PolarHBondContact O-N 2.88Å; I331-S334 WeakPolarHBondContact O-CB 3.41Å; I331-S334 PolarHBondContact O-N 3.37Å; I331-S334 PolarHBondContact O-OG 3.45Å; I331-W336 HydrophobicContact CG2-CH2 4.27Å; I331-W336 HydrophobicContact CG2-CZ2 3.74Å; I331-I337 HydrophobicContact CG2-CD1 3.45Å; I331-I337 VanDerWaalsContact CG2-CD1 3.45Å; I331-I337 VanDerWaalsContact O-CG2 3.32Å; I331-I337 WeakPolarHBondContact O-CG2 3.34Å; I331-I349 HydrophobicContact CG2-CD1 3.88Å |
| 332 | L | 67.1 | Low | 69.6 | Low | 32 Ų | 32 | 63.7 Ų | 63.7 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.5 | -25.5 | 175.4 | -73.4 | 177.9 | 0 | 0 | 0 | 113.5 | C328 F329 K346 I349 I350 N353 F374 | C328-L332 WeakPolarHBondContact O-CG 3.32Å; C328-L332 PolarHBondContact O-N 3.45Å; F329-L332 PolarHBondContact O-N 2.81Å; L332-K346 HydrophobicContact CD2-CG 4.46Å; L332-I349 HydrophobicContact CD1-CG2 3.96Å; L332-I349 HydrophobicContact CD2-CB 4.45Å; L332-I349 HydrophobicContact CD2-CG2 3.88Å; L332-I349 HydrophobicContact CG-CG2 3.67Å; L332-I350 HydrophobicContact CD1-CG1 4.37Å; L332-I350 HydrophobicContact CD2-CG1 3.96Å; L332-N353 WeakPolarHBondContact CD1-ND2 3.29Å; L332-F374 HydrophobicContact CD1-CE2 4.15Å |
| 333 | E | 66.5 | Low | 69.4 | Low | 160 Ų | 160 | 61.8 Ų | 61.8 | 75% | 0.748 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -80.7 | -16.2 | 173.5 | -71.3 | -179 | 171.7 | 0 | 0 | 113.1 | F329 Q330 I331 | F329-E333 PolarHBondContact O-N 2.52Å; F329-E333 VanDerWaalsContact O-N 3.16Å; Q330-E333 PolarHBondContact O-N 2.86Å; I331-E333 PolarHBondContact O-N 2.88Å |
| 334 | S | 68.7 | Low | 69.3 | Low | 18 Ų | 18 | 61 Ų | 61 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -74.5 | 149.1 | -178.3 | 75.1 | 0 | 0 | 0 | 0 | 113 | Q330 I331 W336 | Q330-S334 PolarHBondContact O-N 3.01Å; I331-S334 WeakPolarHBondContact O-CB 3.41Å; I331-S334 PolarHBondContact O-N 3.37Å; I331-S334 PolarHBondContact O-OG 3.45Å; S334-W336 VanDerWaalsContact OG-CD1 3.25Å; S334-W336 PolarHBondContact OG-NE1 3.33Å |
| 335 | D | 67.6 | Low | 69.2 | Low | 121 Ų | 121 | 61.1 Ų | 61.1 | 65% | 0.647 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -75.6 | -27.4 | -176.1 | -75.6 | -37.1 | 0 | 0 | 0 | 113.5 | I337 K338 | D335-I337 PolarHBondContact O-N 3Å; D335-K338 WeakPolarHBondContact O-CB 3.4Å; D335-K338 PolarHBondContact O-N 3.44Å; D335-K338 IonicContact OD1-NZ 2.72Å; D335-K338 PolarHBondContact OD1-NZ 3.48Å |
| 336 | W | 69.3 | Low | 69 | Low | 28 Ų | 28 | 61.6 Ų | 61.6 | 11% | 0.106 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -68.8 | -35 | -173.9 | 67.2 | -97.6 | 0 | 0 | 0 | 112.9 | L266 H270 I331 S334 K338 S339 H342 L345 | L266-W336 HydrophobicContact CB-CH2 4.39Å; H270-W336 HydrophobicContact CB-CB 3.8Å; H270-W336 HydrophobicContact CB-CD2 3.52Å; H270-W336 HydrophobicContact CB-CE3 4Å; H270-W336 HydrophobicContact CB-CG 3.41Å; H270-W336 VanDerWaalsContact CB-CG 3.41Å; H270-W336 AromaticContact CD2-CD2 3.97Å; H270-W336 AromaticContact CD2-CE3 3.56Å; H270-W336 AromaticContact CE1-CE3 3.73Å; H270-W336 AromaticContact CE1-CZ3 3.66Å; H270-W336 AromaticContact CG-CD2 3.52Å; H270-W336 AromaticContact CG-CE3 3.43Å; H270-W336 VanDerWaalsContact CG-CE3 3.43Å; H270-W336 AromaticContact CG-CG 3.85Å; H270-W336 AromaticContact ND1-CD2 3.92Å; H270-W336 AromaticContact ND1-CE3 3.55Å; H270-W336 AromaticContact ND1-CZ3 3.61Å; H270-W336 AromaticContact NE2-CE3 3.79Å; I331-W336 HydrophobicContact CG2-CH2 4.27Å; I331-W336 HydrophobicContact CG2-CZ2 3.74Å; S334-W336 VanDerWaalsContact OG-CD1 3.25Å; S334-W336 PolarHBondContact OG-NE1 3.33Å; W336-K338 PolarHBondContact O-N 2.72Å; W336-K338 VanDerWaalsContact O-N 3.14Å; W336-S339 PolarHBondContact O-N 3.27Å; W336-S339 PolarHBondContact O-OG 3.02Å; W336-H342 AromaticContact CE3-CD2 3.96Å; W336-L345 HydrophobicContact CH2-CD2 3.98Å; W336-L345 HydrophobicContact CZ3-CD2 4.29Å |
| 337 | I | 71.9 | Confident | 68.7 | Low | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -71.7 | -6.8 | -180 | -153.2 | 156.4 | 0 | 0 | 0 | 113.3 | I331 D335 S339 H342 L345 K346 I349 | I331-I337 HydrophobicContact CG2-CD1 3.45Å; I331-I337 VanDerWaalsContact CG2-CD1 3.45Å; I331-I337 VanDerWaalsContact O-CG2 3.32Å; I331-I337 WeakPolarHBondContact O-CG2 3.34Å; D335-I337 PolarHBondContact O-N 3Å; I337-S339 PolarHBondContact O-N 2.92Å; I337-H342 HydrophobicContact CG1-CB 4.44Å; I337-L345 HydrophobicContact CD1-CD2 4.47Å; I337-L345 HydrophobicContact CD1-CG 4.46Å; I337-K346 HydrophobicContact CD1-CB 4.35Å; I337-K346 HydrophobicContact CG1-CB 4.04Å; I337-K346 HydrophobicContact CG1-CG 4.34Å; I337-I349 HydrophobicContact CD1-CD1 3.66Å |
| 338 | K | 61 | Low | 68.5 | Low | 89 Ų | 89 | 54.7 Ų | 54.7 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -73 | -16.5 | 175.9 | -63.6 | 177.1 | -179.4 | 167.6 | 0 | 112.9 | D335 W336 | D335-K338 WeakPolarHBondContact O-CB 3.4Å; D335-K338 PolarHBondContact O-N 3.44Å; D335-K338 IonicContact OD1-NZ 2.72Å; D335-K338 PolarHBondContact OD1-NZ 3.48Å; W336-K338 PolarHBondContact O-N 2.72Å; W336-K338 VanDerWaalsContact O-N 3.14Å |
| 339 | S | 61.2 | Low | 68.4 | Low | 49 Ų | 49 | 54.7 Ų | 54.7 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -78 | 142.9 | -178.2 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | W336 I337 N341 H342 | W336-S339 PolarHBondContact O-N 3.27Å; W336-S339 PolarHBondContact O-OG 3.02Å; I337-S339 PolarHBondContact O-N 2.92Å; S339-N341 PolarHBondContact O-N 2.99Å; S339-N341 VanDerWaalsContact O-N 3.08Å; S339-H342 PolarHBondContact O-N 2.65Å; S339-H342 VanDerWaalsContact O-N 3.16Å; S339-H342 PolarHBondContact OG-CD2 2.92Å; S339-H342 VanDerWaalsContact OG-CD2 3.23Å |
| 340 | S | 51.9 | Low | 68.2 | Low | 70 Ų | 70 | 51.9 Ų | 51.9 | 49% | 0.49 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -53.8 | -27.3 | -178.4 | 58.5 | 0 | 0 | 0 | 0 | 114.9 | H342 R343 E381 | S340-H342 PolarHBondContact O-N 3.2Å; S340-R343 VanDerWaalsContact O-CB 3.29Å; S340-R343 WeakPolarHBondContact O-CB 3.47Å; S340-R343 PolarHBondContact O-N 3.02Å; S340-E381 WeakPolarHBondContact CA-OE1 3.4Å; S340-E381 VanDerWaalsContact CB-OE1 3.32Å; S340-E381 WeakPolarHBondContact CB-OE1 3.19Å; S340-E381 PolarHBondContact N-OE1 3.28Å; S340-E381 VanDerWaalsContact N-OE1 3.08Å |
| 341 | N | 65.1 | Low | 67.9 | Low | 135 Ų | 135 | 49.4 Ų | 49.4 | 72% | 0.722 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -64.7 | -24.9 | -178.8 | -66.2 | -13.7 | 0 | 0 | 0 | 113.1 | S339 | S339-N341 PolarHBondContact O-N 2.99Å; S339-N341 VanDerWaalsContact O-N 3.08Å |
| 342 | H | 69.3 | Low | 67.7 | Low | 20 Ų | 20 | 49.3 Ų | 49.3 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -106.5 | 26.1 | -177.1 | -53.3 | -64 | 0 | 0 | 0 | 113.1 | H270 E290 W336 I337 S339 S340 D344 L345 K346 | H270-H342 AromaticContact CD2-NE2 3.93Å; H270-H342 AromaticContact CE1-CE1 3.66Å; H270-H342 AromaticContact CE1-NE2 3.94Å; H270-H342 AromaticContact NE2-CE1 3.22Å; H270-H342 PolarHBondContact NE2-CE1 3.47Å; H270-H342 AromaticContact NE2-NE2 3.14Å; H270-H342 PolarHBondContact NE2-NE2 3.27Å; H270-H342 VanDerWaalsContact NE2-NE2 3.14Å; E290-H342 IonicContact OE1-CE1 3.67Å; E290-H342 PolarHBondContact OE1-CE1 3.23Å; E290-H342 IonicContact OE1-ND1 2.71Å; E290-H342 PolarHBondContact OE1-ND1 3.5Å; E290-H342 IonicContact OE2-CE1 2.9Å; E290-H342 IonicContact OE2-CG 3.92Å; E290-H342 IonicContact OE2-ND1 3.2Å; E290-H342 PolarHBondContact OE2-ND1 3.16Å; W336-H342 AromaticContact CE3-CD2 3.96Å; I337-H342 HydrophobicContact CG1-CB 4.44Å; S339-H342 PolarHBondContact O-N 2.65Å; S339-H342 VanDerWaalsContact O-N 3.16Å; S339-H342 PolarHBondContact OG-CD2 2.92Å; S339-H342 VanDerWaalsContact OG-CD2 3.23Å; S340-H342 PolarHBondContact O-N 3.2Å; H342-D344 PolarHBondContact O-N 3.34Å; H342-L345 PolarHBondContact O-N 3.49Å; H342-K346 WeakPolarHBondContact O-CB 3.42Å; H342-K346 PolarHBondContact O-N 3.43Å |
| 343 | R | 65.7 | Low | 67.8 | Low | 86 Ų | 86 | 47.8 Ų | 47.8 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.7 | -47.4 | -173.3 | 178.9 | 168.9 | -174.2 | -158.4 | -7.3 | 113.2 | S340 K346 Y347 | S340-R343 VanDerWaalsContact O-CB 3.29Å; S340-R343 WeakPolarHBondContact O-CB 3.47Å; S340-R343 PolarHBondContact O-N 3.02Å; R343-K346 PolarHBondContact O-N 3.16Å; R343-Y347 HydrophobicContact CB-CE2 4.41Å; R343-Y347 HydrophobicContact CG-CD2 4.01Å; R343-Y347 HydrophobicContact CG-CE2 3.13Å; R343-Y347 VanDerWaalsContact CG-OH 3.31Å; R343-Y347 WeakPolarHBondContact CG-OH 3.48Å; R343-Y347 PolarHBondContact NE-OH 3.26Å; R343-Y347 WeakPolarHBondContact O-CD2 3.31Å; R343-Y347 WeakPolarHBondContact O-CE2 3.39Å; R343-Y347 PolarHBondContact O-N 3.21Å; R343-Y347 VanDerWaalsContact O-N 3.12Å |
| 344 | D | 70.7 | Confident | 67.5 | Low | 82 Ų | 82 | 40.7 Ų | 40.7 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.7 | -40.9 | -179.2 | -74.2 | -44.2 | 0 | 0 | 0 | 112.9 | V294 H342 Y347 A348 | V294-D344 HydrophobicContact CG2-CB 4.07Å; H342-D344 PolarHBondContact O-N 3.34Å; D344-Y347 PolarHBondContact O-N 2.91Å; D344-A348 PolarHBondContact O-N 3.5Å |
| 345 | L | 78.4 | Confident | 67.1 | Low | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 175.9 | -177.6 | 63.5 | 0 | 0 | 0 | 111 | L263 L266 E290 T293 V294 L297 W336 I337 H342 Y347 A348 I349 | L263-L345 HydrophobicContact CD2-CD1 4.05Å; L266-L345 HydrophobicContact CD1-CD2 4.2Å; E290-L345 HydrophobicContact CG-CD2 4.17Å; T293-L345 WeakPolarHBondContact OG1-CD1 3.49Å; V294-L345 VanDerWaalsContact CG2-CA 3.42Å; V294-L345 HydrophobicContact CG2-CB 4.1Å; V294-L345 HydrophobicContact CG2-CD1 4.19Å; L297-L345 HydrophobicContact CD1-CD1 4.36Å; W336-L345 HydrophobicContact CH2-CD2 3.98Å; W336-L345 HydrophobicContact CZ3-CD2 4.29Å; I337-L345 HydrophobicContact CD1-CD2 4.47Å; I337-L345 HydrophobicContact CD1-CG 4.46Å; H342-L345 PolarHBondContact O-N 3.49Å; L345-Y347 VanDerWaalsContact C-N 3.28Å; L345-Y347 PolarHBondContact O-N 3.44Å; L345-A348 PolarHBondContact O-N 3.05Å; L345-I349 HydrophobicContact CD1-CD1 4.13Å; L345-I349 HydrophobicContact CD1-CG1 4.39Å; L345-I349 HydrophobicContact CG-CD1 3.9Å; L345-I349 VanDerWaalsContact O-CG1 3.28Å; L345-I349 WeakPolarHBondContact O-CG1 3.23Å; L345-I349 PolarHBondContact O-N 3.2Å |
| 346 | K | 69.8 | Low | 66.6 | Low | 30 Ų | 30 | 37.1 Ų | 37.1 | 13% | 0.13 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.7 | -44.6 | 175.7 | -171.9 | 178.9 | 179.9 | 175.4 | 0 | 111.2 | L332 I337 H342 R343 I349 I350 N377 | L332-K346 HydrophobicContact CD2-CG 4.46Å; I337-K346 HydrophobicContact CD1-CB 4.35Å; I337-K346 HydrophobicContact CG1-CB 4.04Å; I337-K346 HydrophobicContact CG1-CG 4.34Å; H342-K346 WeakPolarHBondContact O-CB 3.42Å; H342-K346 PolarHBondContact O-N 3.43Å; R343-K346 PolarHBondContact O-N 3.16Å; K346-I349 PolarHBondContact O-N 3Å; K346-I350 HydrophobicContact CG-CD1 3.95Å; K346-I350 WeakPolarHBondContact O-CB 3.44Å; K346-I350 VanDerWaalsContact O-CG1 3.25Å; K346-I350 WeakPolarHBondContact O-CG1 3.43Å; K346-I350 PolarHBondContact O-N 3.13Å; K346-N377 PolarHBondContact NZ-O 3.29Å |
| 347 | Y | 66.3 | Low | 65.9 | Low | 42 Ų | 42 | 36.6 Ų | 36.6 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -40.8 | 178.2 | -63.6 | -41.6 | 0 | 0 | 0 | 114 | R343 D344 L345 I349 I350 D351 F405 | R343-Y347 HydrophobicContact CB-CE2 4.41Å; R343-Y347 HydrophobicContact CG-CD2 4.01Å; R343-Y347 HydrophobicContact CG-CE2 3.13Å; R343-Y347 VanDerWaalsContact CG-OH 3.31Å; R343-Y347 WeakPolarHBondContact CG-OH 3.48Å; R343-Y347 PolarHBondContact NE-OH 3.26Å; R343-Y347 WeakPolarHBondContact O-CD2 3.31Å; R343-Y347 WeakPolarHBondContact O-CE2 3.39Å; R343-Y347 PolarHBondContact O-N 3.21Å; R343-Y347 VanDerWaalsContact O-N 3.12Å; D344-Y347 PolarHBondContact O-N 2.91Å; L345-Y347 VanDerWaalsContact C-N 3.28Å; L345-Y347 PolarHBondContact O-N 3.44Å; Y347-I349 VanDerWaalsContact C-N 3.27Å; Y347-I349 PolarHBondContact O-N 3.36Å; Y347-I350 PolarHBondContact O-N 3.35Å; Y347-D351 WeakPolarHBondContact O-CB 3.26Å; Y347-D351 PolarHBondContact O-N 3.48Å; Y347-F405 HydrophobicContact CD1-CE1 4.32Å; Y347-F405 HydrophobicContact CE1-CD1 4.13Å; Y347-F405 AromaticContact CE1-CE1 3.37Å; Y347-F405 HydrophobicContact CE1-CE1 3.37Å; Y347-F405 HydrophobicContact CE1-CZ 4.02Å; Y347-F405 AromaticContact CE2-CE1 3.81Å; Y347-F405 HydrophobicContact CE2-CE1 3.81Å; Y347-F405 HydrophobicContact CE2-CZ 4.27Å; Y347-F405 AromaticContact CZ-CE1 3.13Å; Y347-F405 AromaticContact CZ-CZ 3.49Å; Y347-F405 VanDerWaalsContact CZ-CZ 3.49Å; Y347-F405 WeakPolarHBondContact OH-CE1 3.44Å; Y347-F405 WeakPolarHBondContact OH-CZ 3.35Å |
| 348 | A | 73 | Confident | 65 | Low | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | V294 L297 D344 L345 F352 | V294-A348 HydrophobicContact CB-CB 4.2Å; V294-A348 HydrophobicContact CG1-CB 4.04Å; V294-A348 HydrophobicContact CG2-CB 4.03Å; L297-A348 HydrophobicContact CB-CB 3.83Å; L297-A348 HydrophobicContact CD1-CB 3.91Å; D344-A348 PolarHBondContact O-N 3.5Å; L345-A348 PolarHBondContact O-N 3.05Å; A348-F352 VanDerWaalsContact O-CB 3.27Å; A348-F352 WeakPolarHBondContact O-CB 3.47Å; A348-F352 PolarHBondContact O-N 2.91Å |
| 349 | I | 75.3 | Confident | 64.5 | Low | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.9 | -42.4 | 174.7 | -65.9 | 170.5 | 0 | 0 | 0 | 111.2 | L263 L297 C328 I331 L332 I337 L345 K346 Y347 N353 | L263-I349 HydrophobicContact CD2-CD1 4.01Å; L263-I349 HydrophobicContact CD2-CG1 4.47Å; L297-I349 HydrophobicContact CD1-CG1 3.64Å; C328-I349 HydrophobicContact CB-CG2 3.74Å; I331-I349 HydrophobicContact CG2-CD1 3.88Å; L332-I349 HydrophobicContact CD1-CG2 3.96Å; L332-I349 HydrophobicContact CD2-CB 4.45Å; L332-I349 HydrophobicContact CD2-CG2 3.88Å; L332-I349 HydrophobicContact CG-CG2 3.67Å; I337-I349 HydrophobicContact CD1-CD1 3.66Å; L345-I349 HydrophobicContact CD1-CD1 4.13Å; L345-I349 HydrophobicContact CD1-CG1 4.39Å; L345-I349 HydrophobicContact CG-CD1 3.9Å; L345-I349 VanDerWaalsContact O-CG1 3.28Å; L345-I349 WeakPolarHBondContact O-CG1 3.23Å; L345-I349 PolarHBondContact O-N 3.2Å; K346-I349 PolarHBondContact O-N 3Å; Y347-I349 VanDerWaalsContact C-N 3.27Å; Y347-I349 PolarHBondContact O-N 3.36Å; I349-N353 WeakPolarHBondContact O-CB 3.37Å; I349-N353 PolarHBondContact O-N 3.13Å; I349-N353 PolarHBondContact O-ND2 2.9Å |
| 350 | I | 65.7 | Low | 63.9 | Low | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -51.7 | 176.4 | -77.3 | 168.5 | 0 | 0 | 0 | 111 | L332 K346 Y347 F352 N353 L354 F374 | L332-I350 HydrophobicContact CD1-CG1 4.37Å; L332-I350 HydrophobicContact CD2-CG1 3.96Å; K346-I350 HydrophobicContact CG-CD1 3.95Å; K346-I350 WeakPolarHBondContact O-CB 3.44Å; K346-I350 VanDerWaalsContact O-CG1 3.25Å; K346-I350 WeakPolarHBondContact O-CG1 3.43Å; K346-I350 PolarHBondContact O-N 3.13Å; Y347-I350 PolarHBondContact O-N 3.35Å; I350-F352 VanDerWaalsContact C-N 3.32Å; I350-F352 PolarHBondContact O-N 3.44Å; I350-N353 PolarHBondContact O-N 3.01Å; I350-L354 HydrophobicContact CG2-CD1 3.49Å; I350-L354 VanDerWaalsContact CG2-CD1 3.49Å; I350-L354 HydrophobicContact CG2-CG 4.16Å; I350-L354 VanDerWaalsContact O-CB 3.31Å; I350-L354 WeakPolarHBondContact O-CB 3.41Å; I350-L354 WeakPolarHBondContact O-CD1 3.39Å; I350-L354 WeakPolarHBondContact O-CG 3.45Å; I350-L354 PolarHBondContact O-N 3.22Å; I350-F374 HydrophobicContact CB-CZ 4.1Å; I350-F374 HydrophobicContact CG1-CE1 4.45Å; I350-F374 HydrophobicContact CG1-CZ 3.89Å; I350-F374 HydrophobicContact CG2-CE1 3.68Å; I350-F374 HydrophobicContact CG2-CZ 3.66Å |
| 351 | D | 66.2 | Low | 63.7 | Low | 50 Ų | 50 | 40 Ų | 40 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 180 | -171.8 | 49.9 | 0 | 0 | 0 | 111.1 | S301 Y347 H355 | S301-D351 PolarHBondContact OG-OD2 3.48Å; Y347-D351 WeakPolarHBondContact O-CB 3.26Å; Y347-D351 PolarHBondContact O-N 3.48Å; D351-H355 PolarHBondContact O-CD2 3.12Å; D351-H355 PolarHBondContact O-N 2.99Å; D351-H355 IonicContact OD1-NE2 3.04Å |
| 352 | F | 71.6 | Confident | 62.8 | Low | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -51.1 | 174.6 | -176.9 | -104.9 | 0 | 0 | 0 | 112.2 | Y256 L297 L300 L324 N325 A348 I350 L354 F356 | Y256-F352 HydrophobicContact CD1-CZ 4.41Å; Y256-F352 HydrophobicContact CE1-CE2 4.24Å; Y256-F352 HydrophobicContact CE1-CZ 4.13Å; L297-F352 HydrophobicContact CD2-CB 4.35Å; L297-F352 HydrophobicContact CD2-CD1 4.29Å; L297-F352 HydrophobicContact CD2-CG 4.13Å; L300-F352 HydrophobicContact CB-CD2 4.03Å; L300-F352 HydrophobicContact CB-CE2 3.81Å; L300-F352 HydrophobicContact CD1-CE2 4.34Å; L324-F352 HydrophobicContact CB-CE1 4.43Å; L324-F352 HydrophobicContact CD2-CE1 3.67Å; L324-F352 HydrophobicContact CD2-CE2 4.34Å; L324-F352 HydrophobicContact CD2-CZ 3.56Å; L324-F352 HydrophobicContact CG-CE1 3.82Å; L324-F352 HydrophobicContact CG-CZ 4.17Å; N325-F352 WeakPolarHBondContact OD1-CE1 3.36Å; A348-F352 VanDerWaalsContact O-CB 3.27Å; A348-F352 WeakPolarHBondContact O-CB 3.47Å; A348-F352 PolarHBondContact O-N 2.91Å; I350-F352 VanDerWaalsContact C-N 3.32Å; I350-F352 PolarHBondContact O-N 3.44Å; F352-L354 PolarHBondContact O-N 2.88Å; F352-F356 HydrophobicContact CD1-CE2 4.4Å; F352-F356 HydrophobicContact CD2-CE2 4.19Å; F352-F356 HydrophobicContact CE1-CD2 4.4Å; F352-F356 AromaticContact CE1-CE2 3.95Å; F352-F356 HydrophobicContact CE1-CE2 3.95Å; F352-F356 AromaticContact CE2-CE2 3.67Å; F352-F356 HydrophobicContact CE2-CE2 3.67Å; F352-F356 HydrophobicContact CE2-CZ 4.38Å; F352-F356 HydrophobicContact CZ-CD2 4.4Å; F352-F356 AromaticContact CZ-CE2 3.53Å; F352-F356 HydrophobicContact CZ-CE2 3.53Å; F352-F356 HydrophobicContact CZ-CZ 4.24Å; F352-F356 WeakPolarHBondContact O-CD2 3.46Å |
| 353 | N | 68.2 | Low | 61.9 | Low | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -35.3 | -179.3 | -80.3 | -26.6 | 0 | 0 | 0 | 113.5 | C328 L332 I349 I350 H355 F356 L357 | C328-N353 WeakPolarHBondContact CB-ND2 3.26Å; C328-N353 WeakPolarHBondContact CB-OD1 3.36Å; L332-N353 WeakPolarHBondContact CD1-ND2 3.29Å; I349-N353 WeakPolarHBondContact O-CB 3.37Å; I349-N353 PolarHBondContact O-N 3.13Å; I349-N353 PolarHBondContact O-ND2 2.9Å; I350-N353 PolarHBondContact O-N 3.01Å; N353-H355 VanDerWaalsContact C-N 3.31Å; N353-H355 PolarHBondContact O-N 3.1Å; N353-F356 PolarHBondContact O-N 3.1Å; N353-L357 PolarHBondContact O-N 3.37Å |
| 354 | L | 60.4 | Low | 60.9 | Low | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -36.8 | -178.4 | -81.9 | 169 | 0 | 0 | 0 | 112.7 | I350 F352 F356 L357 F374 I412 I416 | I350-L354 HydrophobicContact CG2-CD1 3.49Å; I350-L354 VanDerWaalsContact CG2-CD1 3.49Å; I350-L354 HydrophobicContact CG2-CG 4.16Å; I350-L354 VanDerWaalsContact O-CB 3.31Å; I350-L354 WeakPolarHBondContact O-CB 3.41Å; I350-L354 WeakPolarHBondContact O-CD1 3.39Å; I350-L354 WeakPolarHBondContact O-CG 3.45Å; I350-L354 PolarHBondContact O-N 3.22Å; F352-L354 PolarHBondContact O-N 2.88Å; L354-F356 PolarHBondContact O-N 3.03Å; L354-L357 PolarHBondContact O-N 3.19Å; L354-F374 HydrophobicContact CD1-CE1 3.89Å; L354-F374 HydrophobicContact CD1-CZ 4.33Å; L354-F374 HydrophobicContact CD2-CD1 4.04Å; L354-F374 HydrophobicContact CD2-CE1 3.43Å; L354-F374 VanDerWaalsContact CD2-CE1 3.43Å; L354-F374 HydrophobicContact CD2-CZ 3.88Å; L354-F374 HydrophobicContact CG-CE1 3.63Å; L354-F374 HydrophobicContact CG-CZ 3.77Å; L354-I412 HydrophobicContact CB-CG2 4.41Å; L354-I412 HydrophobicContact CD1-CD1 3.63Å; L354-I412 HydrophobicContact CD1-CG1 4.18Å; L354-I412 HydrophobicContact CD1-CG2 3.64Å; L354-I412 HydrophobicContact CD2-CG2 3.65Å; L354-I412 HydrophobicContact CG-CG2 4.12Å; L354-I416 HydrophobicContact CD2-CD1 4.04Å |
| 355 | H | 60.3 | Low | 59.6 | Low | 40 Ų | 40 | 41.1 Ų | 41.1 | 19% | 0.185 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -24.8 | 174.1 | -75.8 | -52.2 | 0 | 0 | 0 | 113.3 | Q305 D351 N353 S358 | Q305-H355 PolarHBondContact NE2-CE1 3.05Å; Q305-H355 PolarHBondContact NE2-NE2 3.41Å; D351-H355 PolarHBondContact O-CD2 3.12Å; D351-H355 PolarHBondContact O-N 2.99Å; D351-H355 IonicContact OD1-NE2 3.04Å; N353-H355 VanDerWaalsContact C-N 3.31Å; N353-H355 PolarHBondContact O-N 3.1Å; H355-S358 PolarHBondContact O-OG 3.25Å |
| 356 | F | 58.5 | Low | 58.2 | Low | 24 Ų | 24 | 47.3 Ų | 47.3 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -91.1 | -26.5 | 174.3 | -69.2 | -71.1 | 0 | 0 | 0 | 113.7 | E304 Q321 N325 F352 N353 L354 S358 I359 Y360 | E304-F356 HydrophobicContact CG-CE2 4.41Å; E304-F356 HydrophobicContact CG-CZ 3.9Å; Q321-F356 HydrophobicContact CG-CE1 3.93Å; Q321-F356 HydrophobicContact CG-CZ 3.72Å; N325-F356 VanDerWaalsContact ND2-CD2 3.33Å; N325-F356 WeakPolarHBondContact ND2-CD2 3.47Å; N325-F356 WeakPolarHBondContact ND2-CG 3.49Å; N325-F356 VanDerWaalsContact OD1-CD2 3.22Å; N325-F356 WeakPolarHBondContact OD1-CD2 3.43Å; F352-F356 HydrophobicContact CD1-CE2 4.4Å; F352-F356 HydrophobicContact CD2-CE2 4.19Å; F352-F356 HydrophobicContact CE1-CD2 4.4Å; F352-F356 AromaticContact CE1-CE2 3.95Å; F352-F356 HydrophobicContact CE1-CE2 3.95Å; F352-F356 AromaticContact CE2-CE2 3.67Å; F352-F356 HydrophobicContact CE2-CE2 3.67Å; F352-F356 HydrophobicContact CE2-CZ 4.38Å; F352-F356 HydrophobicContact CZ-CD2 4.4Å; F352-F356 AromaticContact CZ-CE2 3.53Å; F352-F356 HydrophobicContact CZ-CE2 3.53Å; F352-F356 HydrophobicContact CZ-CZ 4.24Å; F352-F356 WeakPolarHBondContact O-CD2 3.46Å; N353-F356 PolarHBondContact O-N 3.1Å; L354-F356 PolarHBondContact O-N 3.03Å; F356-S358 VanDerWaalsContact C-N 3.25Å; F356-S358 PolarHBondContact O-N 3.41Å; F356-I359 PolarHBondContact O-N 3.46Å; F356-Y360 WeakPolarHBondContact O-CB 3.27Å; F356-Y360 PolarHBondContact O-N 2.97Å |
| 357 | L | 53.5 | Low | 57.4 | Low | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.8 | -37 | -178.3 | -121.1 | 127.6 | 0 | 0 | 0 | 111.3 | F329 N353 L354 I359 Y360 L361 L371 F374 | F329-L357 HydrophobicContact CE1-CD1 4.34Å; F329-L357 HydrophobicContact CZ-CD1 4.04Å; N353-L357 PolarHBondContact O-N 3.37Å; L354-L357 PolarHBondContact O-N 3.19Å; L357-I359 VanDerWaalsContact C-N 3.31Å; L357-I359 PolarHBondContact O-N 2.85Å; L357-Y360 PolarHBondContact O-N 3.36Å; L357-L361 HydrophobicContact CD2-CD1 3.71Å; L357-L361 HydrophobicContact CD2-CD2 4.49Å; L357-L361 HydrophobicContact CD2-CG 3.98Å; L357-L361 WeakPolarHBondContact O-CB 3.18Å; L357-L361 WeakPolarHBondContact O-CG 3.25Å; L357-L361 PolarHBondContact O-N 2.96Å; L357-L371 HydrophobicContact CD2-CD2 4.16Å; L357-F374 HydrophobicContact CD1-CE2 4.39Å |
| 358 | S | 52.4 | Low | 57 | Low | 33 Ų | 33 | 49.8 Ų | 49.8 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -39 | 173.8 | 59.4 | 0 | 0 | 0 | 0 | 112.4 | H355 F356 L362 | H355-S358 PolarHBondContact O-OG 3.25Å; F356-S358 VanDerWaalsContact C-N 3.25Å; F356-S358 PolarHBondContact O-N 3.41Å; S358-L362 WeakPolarHBondContact O-CB 3.37Å; S358-L362 PolarHBondContact O-N 2.89Å |
| 359 | I | 52.1 | Low | 56 | Low | 93 Ų | 93 | 54.1 Ų | 54.1 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.1 | -42.3 | 178.3 | -57.8 | 173.3 | 0 | 0 | 0 | 110.9 | F356 L357 L362 S363 | F356-I359 PolarHBondContact O-N 3.46Å; L357-I359 VanDerWaalsContact C-N 3.31Å; L357-I359 PolarHBondContact O-N 2.85Å; I359-L362 WeakPolarHBondContact O-CB 3.32Å; I359-L362 PolarHBondContact O-N 3.31Å; I359-S363 PolarHBondContact O-N 2.97Å; I359-S363 VanDerWaalsContact O-N 3.13Å |
| 360 | Y | 47 | Very low | 55.1 | Low | 135 Ų | 135 | 57.3 Ų | 57.3 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -72.6 | -35.5 | -178.5 | -165.9 | -96.2 | 0 | 0 | 0 | 112.8 | F356 L357 S363 N364 | F356-Y360 WeakPolarHBondContact O-CB 3.27Å; F356-Y360 PolarHBondContact O-N 2.97Å; L357-Y360 PolarHBondContact O-N 3.36Å; Y360-S363 PolarHBondContact O-N 3.39Å; Y360-S363 PolarHBondContact O-OG 3.27Å; Y360-S363 VanDerWaalsContact O-OG 3.13Å; Y360-N364 WeakPolarHBondContact CE1-ND2 3.35Å; Y360-N364 WeakPolarHBondContact CE2-ND2 3.49Å; Y360-N364 WeakPolarHBondContact O-CB 3.41Å; Y360-N364 PolarHBondContact O-N 3.11Å; Y360-N364 PolarHBondContact OH-ND2 3.38Å |
| 361 | L | 47.7 | Very low | 54.7 | Low | 21 Ų | 21 | 57.1 Ų | 57.1 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 172.1 | -75 | 170.9 | 0 | 0 | 0 | 110.5 | L357 S363 N364 G365 L371 I416 | L357-L361 HydrophobicContact CD2-CD1 3.71Å; L357-L361 HydrophobicContact CD2-CD2 4.49Å; L357-L361 HydrophobicContact CD2-CG 3.98Å; L357-L361 WeakPolarHBondContact O-CB 3.18Å; L357-L361 WeakPolarHBondContact O-CG 3.25Å; L357-L361 PolarHBondContact O-N 2.96Å; L361-S363 VanDerWaalsContact C-N 3.27Å; L361-S363 PolarHBondContact O-N 3.06Å; L361-N364 PolarHBondContact O-N 3.05Å; L361-G365 PolarHBondContact O-N 3.49Å; L361-L371 HydrophobicContact CD1-CD2 4.5Å; L361-I416 HydrophobicContact CD1-CG2 4.22Å |
| 362 | L | 47.3 | Very low | 54.1 | Low | 125 Ų | 125 | 56.4 Ų | 56.4 | 65% | 0.654 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.8 | -41.5 | 174.9 | -127.8 | 86.3 | 0 | 0 | 0 | 112 | S358 I359 S419 | S358-L362 WeakPolarHBondContact O-CB 3.37Å; S358-L362 PolarHBondContact O-N 2.89Å; I359-L362 WeakPolarHBondContact O-CB 3.32Å; I359-L362 PolarHBondContact O-N 3.31Å; L362-S419 WeakPolarHBondContact CD1-O 3.33Å |
| 363 | S | 49.6 | Very low | 53.3 | Low | 82 Ų | 82 | 59.4 Ų | 59.4 | 57% | 0.573 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -78.3 | -27 | -174.8 | 73.8 | 0 | 0 | 0 | 0 | 113.9 | I359 Y360 L361 | I359-S363 PolarHBondContact O-N 2.97Å; I359-S363 VanDerWaalsContact O-N 3.13Å; Y360-S363 PolarHBondContact O-N 3.39Å; Y360-S363 PolarHBondContact O-OG 3.27Å; Y360-S363 VanDerWaalsContact O-OG 3.13Å; L361-S363 VanDerWaalsContact C-N 3.27Å; L361-S363 PolarHBondContact O-N 3.06Å |
| 364 | N | 44.2 | Very low | 52.8 | Low | 71 Ų | 71 | 60.9 Ų | 60.9 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -112 | -4.6 | -167.8 | -75 | -20.4 | 0 | 0 | 0 | 115.7 | Y360 L361 K366 | Y360-N364 WeakPolarHBondContact CE1-ND2 3.35Å; Y360-N364 WeakPolarHBondContact CE2-ND2 3.49Å; Y360-N364 WeakPolarHBondContact O-CB 3.41Å; Y360-N364 PolarHBondContact O-N 3.11Å; Y360-N364 PolarHBondContact OH-ND2 3.38Å; L361-N364 PolarHBondContact O-N 3.05Å; N364-K366 HydrophobicContact CB-CG 4.47Å; N364-K366 PolarHBondContact O-N 3.05Å |
| 365 | G | 45.1 | Very low | 52.6 | Low | 68 Ų | 68 | 60.8 Ų | 60.8 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | trans | 54.9 | 25.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L361 | L361-G365 PolarHBondContact O-N 3.49Š| ||
| 366 | K | 48.5 | Very low | 52.4 | Low | 133 Ų | 133 | 61 Ų | 61 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | trans | -84.2 | 134.5 | 179.1 | -74.9 | -172.3 | 177.2 | -175 | 0 | 109.9 | N364 | N364-K366 HydrophobicContact CB-CG 4.47Å; N364-K366 PolarHBondContact O-N 3.05Å | ||
| 367 | N | 53.7 | Low | 52 | Low | 113 Ų | 113 | 64.9 Ų | 64.9 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | trans | -45.1 | 138.2 | -176.8 | -66.2 | -8.5 | 0 | 0 | 0 | 113.3 | L369 C370 | N367-L369 HydrophobicContact CB-CB 4.19Å; N367-L369 HydrophobicContact CB-CD1 4.05Å; N367-L369 HydrophobicContact CB-CG 4.38Å; N367-L369 PolarHBondContact O-N 3.46Å; N367-C370 PolarHBondContact O-N 3.38Å; N367-C370 PolarHBondContact O-SG 2.92Å | ||
| 368 | L | 56 | Low | 52 | Low | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -47.3 | -21.9 | 171.8 | -105 | 101.7 | 0 | 0 | 0 | 113.9 | C370 L371 L417 C420 S424 F428 | L368-C370 PolarHBondContact O-N 2.96Å; L368-L371 HydrophobicContact CB-CD1 4.42Å; L368-L371 HydrophobicContact CD2-CD1 3.91Å; L368-L371 HydrophobicContact CG-CD1 3.96Å; L368-L371 VanDerWaalsContact O-CB 3.22Å; L368-L371 WeakPolarHBondContact O-CB 3.33Å; L368-L371 WeakPolarHBondContact O-CG 3.35Å; L368-L371 PolarHBondContact O-N 3.26Å; L368-L417 HydrophobicContact CD2-CD2 3.81Å; L368-C420 HydrophobicContact CD1-CB 3.81Å; L368-S424 WeakPolarHBondContact CD1-OG 3.35Å; L368-F428 HydrophobicContact CB-CB 4.18Å; L368-F428 HydrophobicContact CB-CD2 3.75Å; L368-F428 HydrophobicContact CB-CE2 4.39Å; L368-F428 HydrophobicContact CB-CG 4.08Å; L368-F428 HydrophobicContact CD2-CB 3.95Å; L368-F428 HydrophobicContact CD2-CD1 3.79Å; L368-F428 HydrophobicContact CD2-CD2 3.98Å; L368-F428 HydrophobicContact CD2-CE1 4.26Å; L368-F428 HydrophobicContact CD2-CE2 4.44Å; L368-F428 HydrophobicContact CD2-CG 3.63Å; L368-F428 HydrophobicContact CG-CG 4.46Å |
| 369 | L | 53.2 | Low | 52.1 | Low | 93 Ų | 93 | 63.2 Ų | 63.2 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -51.5 | -25.8 | 173.5 | -71.2 | 160.1 | 0 | 0 | 0 | 113.8 | N367 L371 L372 P373 | N367-L369 HydrophobicContact CB-CB 4.19Å; N367-L369 HydrophobicContact CB-CD1 4.05Å; N367-L369 HydrophobicContact CB-CG 4.38Å; N367-L369 PolarHBondContact O-N 3.46Å; L369-L371 PolarHBondContact O-N 3.44Å; L369-L372 HydrophobicContact CD2-CD1 3.61Å; L369-L372 PolarHBondContact O-N 3.11Å; L369-L372 VanDerWaalsContact O-N 3.14Å; L369-P373 WeakPolarHBondContact O-CD 3.37Å |
| 370 | C | 55.4 | Low | 52.1 | Low | 67 Ų | 67 | 63.8 Ų | 63.8 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -63.2 | -20.2 | 174.5 | -50.7 | 0 | 0 | 0 | 0 | 113 | N367 L368 | N367-C370 PolarHBondContact O-N 3.38Å; N367-C370 PolarHBondContact O-SG 2.92Å; L368-C370 PolarHBondContact O-N 2.96Å |
| 371 | L | 57.5 | Low | 52.4 | Low | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -75 | -26.1 | 176.1 | -65.5 | 163.5 | 0 | 0 | 0 | 112.4 | L357 L361 L368 L369 F374 I375 I416 | L357-L371 HydrophobicContact CD2-CD2 4.16Å; L361-L371 HydrophobicContact CD1-CD2 4.5Å; L368-L371 HydrophobicContact CB-CD1 4.42Å; L368-L371 HydrophobicContact CD2-CD1 3.91Å; L368-L371 HydrophobicContact CG-CD1 3.96Å; L368-L371 VanDerWaalsContact O-CB 3.22Å; L368-L371 WeakPolarHBondContact O-CB 3.33Å; L368-L371 WeakPolarHBondContact O-CG 3.35Å; L368-L371 PolarHBondContact O-N 3.26Å; L369-L371 PolarHBondContact O-N 3.44Å; L371-F374 CarbonylContact O-C 3.55Å; L371-F374 WeakPolarHBondContact O-CA 3.41Å; L371-F374 VanDerWaalsContact O-CB 3.29Å; L371-F374 WeakPolarHBondContact O-CB 3.3Å; L371-F374 PolarHBondContact O-N 3Å; L371-I375 HydrophobicContact CB-CD1 4.25Å; L371-I375 WeakPolarHBondContact O-CG1 3.34Å; L371-I375 PolarHBondContact O-N 3.43Å; L371-I416 HydrophobicContact CD1-CG2 3.65Å; L371-I416 HydrophobicContact CD2-CD1 3.84Å; L371-I416 HydrophobicContact CD2-CG2 4.09Å; L371-I416 HydrophobicContact CG-CG2 4.5Å |
| 372 | L | 55 | Low | 52.6 | Low | 35 Ų | 35 | 61 Ų | 61 | 18% | 0.183 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | -174 | -75.9 | 157.4 | 0 | 0 | 0 | 112.8 | L369 F374 I375 S376 F428 H432 V452 | L369-L372 HydrophobicContact CD2-CD1 3.61Å; L369-L372 PolarHBondContact O-N 3.11Å; L369-L372 VanDerWaalsContact O-N 3.14Å; L372-F374 PolarHBondContact O-N 3.5Å; L372-I375 PolarHBondContact O-N 3.03Å; L372-S376 VanDerWaalsContact O-CB 3.28Å; L372-S376 WeakPolarHBondContact O-CB 3.48Å; L372-S376 PolarHBondContact O-N 3.4Å; L372-S376 PolarHBondContact O-OG 2.9Å; L372-F428 HydrophobicContact CG-CE2 4.38Å; L372-H432 VanDerWaalsContact CD1-NE2 3.35Å; L372-H432 WeakPolarHBondContact CD1-NE2 3.42Å; L372-V452 HydrophobicContact CD2-CG1 4.01Å |
| 373 | P | 53.5 | Low | 52.9 | Low | 64 Ų | 64 | 55.7 Ų | 55.7 | 42% | 0.416 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.9 | -34.7 | 170.6 | -22.4 | 32.7 | 0 | 0 | 0 | 112 | L369 S376 N377 | L369-P373 WeakPolarHBondContact O-CD 3.37Å; P373-S376 WeakPolarHBondContact CA-OG 3.38Å; P373-S376 PolarHBondContact O-N 3.34Å; P373-S376 PolarHBondContact O-OG 3.46Å; P373-N377 WeakPolarHBondContact O-CA 3.13Å; P373-N377 WeakPolarHBondContact O-CB 3.4Å; P373-N377 PolarHBondContact O-N 3.36Å; P373-N377 PolarHBondContact O-ND2 2.84Å; P373-N377 PolarHBondContact O-OD1 3.06Å |
| 374 | F | 57.3 | Low | 53.1 | Low | 31 Ų | 31 | 57.8 Ų | 57.8 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.4 | -37.7 | -179.4 | -157.9 | -86.4 | 0 | 0 | 0 | 112.8 | L332 I350 L354 L357 L371 L372 | L332-F374 HydrophobicContact CD1-CE2 4.15Å; I350-F374 HydrophobicContact CB-CZ 4.1Å; I350-F374 HydrophobicContact CG1-CE1 4.45Å; I350-F374 HydrophobicContact CG1-CZ 3.89Å; I350-F374 HydrophobicContact CG2-CE1 3.68Å; I350-F374 HydrophobicContact CG2-CZ 3.66Å; L354-F374 HydrophobicContact CD1-CE1 3.89Å; L354-F374 HydrophobicContact CD1-CZ 4.33Å; L354-F374 HydrophobicContact CD2-CD1 4.04Å; L354-F374 HydrophobicContact CD2-CE1 3.43Å; L354-F374 VanDerWaalsContact CD2-CE1 3.43Å; L354-F374 HydrophobicContact CD2-CZ 3.88Å; L354-F374 HydrophobicContact CG-CE1 3.63Å; L354-F374 HydrophobicContact CG-CZ 3.77Å; L357-F374 HydrophobicContact CD1-CE2 4.39Å; L371-F374 CarbonylContact O-C 3.55Å; L371-F374 WeakPolarHBondContact O-CA 3.41Å; L371-F374 VanDerWaalsContact O-CB 3.29Å; L371-F374 WeakPolarHBondContact O-CB 3.3Å; L371-F374 PolarHBondContact O-N 3Å; L372-F374 PolarHBondContact O-N 3.5Å |
| 375 | I | 57.6 | Low | 53.5 | Low | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.9 | -30.4 | 175.7 | -61.6 | 166.2 | 0 | 0 | 0 | 110.6 | L371 L372 I413 V452 R455 I456 | L371-I375 HydrophobicContact CB-CD1 4.25Å; L371-I375 WeakPolarHBondContact O-CG1 3.34Å; L371-I375 PolarHBondContact O-N 3.43Å; L372-I375 PolarHBondContact O-N 3.03Å; I375-I413 HydrophobicContact CD1-CD1 4.49Å; I375-V452 HydrophobicContact CG2-CB 4.4Å; I375-V452 HydrophobicContact CG2-CG1 4.19Å; I375-V452 HydrophobicContact CG2-CG2 4.11Å; I375-R455 HydrophobicContact CG2-CB 4.36Å; I375-R455 PolarHBondContact O-NH1 2.89Å; I375-I456 HydrophobicContact CD1-CG1 4.4Å |
| 376 | S | 54.9 | Low | 53.9 | Low | 44 Ų | 44 | 53.8 Ų | 53.8 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -95.6 | -24.3 | -175.4 | 72 | 0 | 0 | 0 | 0 | 115.7 | L372 P373 V378 D379 | L372-S376 VanDerWaalsContact O-CB 3.28Å; L372-S376 WeakPolarHBondContact O-CB 3.48Å; L372-S376 PolarHBondContact O-N 3.4Å; L372-S376 PolarHBondContact O-OG 2.9Å; P373-S376 WeakPolarHBondContact CA-OG 3.38Å; P373-S376 PolarHBondContact O-N 3.34Å; P373-S376 PolarHBondContact O-OG 3.46Å; S376-V378 PolarHBondContact O-N 3.47Å; S376-D379 VanDerWaalsContact O-CB 3.32Å; S376-D379 WeakPolarHBondContact O-CB 3.43Å; S376-D379 PolarHBondContact O-N 3.45Å |
| 377 | N | 51.6 | Low | 54.1 | Low | 105 Ų | 105 | 53.3 Ų | 53.3 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -6 | -176.1 | -83.5 | -7 | 0 | 0 | 0 | 114.2 | K346 P373 | K346-N377 PolarHBondContact NZ-O 3.29Å; P373-N377 WeakPolarHBondContact O-CA 3.13Å; P373-N377 WeakPolarHBondContact O-CB 3.4Å; P373-N377 PolarHBondContact O-N 3.36Å; P373-N377 PolarHBondContact O-ND2 2.84Å; P373-N377 PolarHBondContact O-OD1 3.06Å |
| 378 | V | 53 | Low | 54 | Low | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -15.9 | 171.4 | -175 | 0 | 0 | 0 | 0 | 111.3 | S376 F405 | S376-V378 PolarHBondContact O-N 3.47Å; V378-F405 HydrophobicContact CG1-CD2 4.3Å; V378-F405 HydrophobicContact CG1-CE2 4.05Å; V378-F405 HydrophobicContact CG1-CZ 4.39Å |
| 379 | D | 54.3 | Low | 53.8 | Low | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.011 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -0.3 | -159.5 | -55.3 | -29.2 | 0 | 0 | 0 | 114.9 | S376 E381 V382 T383 R455 | S376-D379 VanDerWaalsContact O-CB 3.32Å; S376-D379 WeakPolarHBondContact O-CB 3.43Å; S376-D379 PolarHBondContact O-N 3.45Å; D379-E381 VanDerWaalsContact C-N 3.26Å; D379-E381 PolarHBondContact O-N 3.33Å; D379-V382 PolarHBondContact O-N 2.75Å; D379-T383 WeakPolarHBondContact O-CB 3.39Å; D379-T383 PolarHBondContact O-N 3.29Å; D379-T383 PolarHBondContact O-OG1 3.45Å; D379-R455 IonicContact OD1-CZ 3.37Å; D379-R455 IonicContact OD1-NH1 2.91Å; D379-R455 PolarHBondContact OD1-NH1 3.49Å; D379-R455 IonicContact OD1-NH2 3.68Å; D379-R455 PolarHBondContact OD1-NH2 3.17Å; D379-R455 IonicContact OD2-NH1 3.84Å |
| 380 | E | 52.8 | Low | 53.7 | Low | 106 Ų | 106 | 62.1 Ų | 62.1 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | 173.1 | -89.4 | -170.8 | 179.9 | 0 | 0 | 112 | T383 K384 | E380-T383 WeakPolarHBondContact CA-OG1 3.35Å; E380-T383 PolarHBondContact O-OG1 3.47Å; E380-K384 WeakPolarHBondContact O-CB 3.34Å; E380-K384 VanDerWaalsContact O-CG 3.26Å; E380-K384 WeakPolarHBondContact O-CG 3.16Å; E380-K384 PolarHBondContact O-N 3.27Å |
| 381 | E | 51.6 | Low | 53.3 | Low | 82 Ų | 82 | 64.3 Ų | 64.3 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.7 | -41.1 | 174.7 | -68.6 | -171.1 | 153.4 | 0 | 0 | 112.1 | S340 D379 T383 K384 C385 | S340-E381 WeakPolarHBondContact CA-OE1 3.4Å; S340-E381 VanDerWaalsContact CB-OE1 3.32Å; S340-E381 WeakPolarHBondContact CB-OE1 3.19Å; S340-E381 PolarHBondContact N-OE1 3.28Å; S340-E381 VanDerWaalsContact N-OE1 3.08Å; D379-E381 VanDerWaalsContact C-N 3.26Å; D379-E381 PolarHBondContact O-N 3.33Å; E381-T383 VanDerWaalsContact C-N 3.29Å; E381-T383 PolarHBondContact O-N 3.01Å; E381-K384 PolarHBondContact O-N 2.74Å; E381-C385 PolarHBondContact O-N 3.47Å; E381-C385 PolarHBondContact O-SG 2.97Å |
| 382 | V | 52.7 | Low | 53 | Low | 15 Ų | 15 | 64.5 Ų | 64.5 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 177.8 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | D379 C385 F386 I402 I451 | D379-V382 PolarHBondContact O-N 2.75Å; V382-C385 WeakPolarHBondContact O-CB 3.36Å; V382-C385 PolarHBondContact O-N 2.7Å; V382-F386 HydrophobicContact CG1-CD2 4.43Å; V382-F386 HydrophobicContact CG1-CE2 3.75Å; V382-F386 WeakPolarHBondContact O-CD2 3.49Å; V382-F386 WeakPolarHBondContact O-CE2 3.43Å; V382-I402 HydrophobicContact CG1-CD1 3.88Å; V382-I402 HydrophobicContact CG1-CG1 4.44Å; V382-I402 HydrophobicContact CG2-CG1 4.33Å; V382-I451 HydrophobicContact CG1-CD1 3.88Å |
| 383 | T | 53.3 | Low | 53.1 | Low | 14 Ų | 14 | 66.8 Ų | 66.8 | 9% | 0.086 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73 | -37.1 | 176.1 | 45.3 | 0 | 0 | 0 | 0 | 113.5 | D379 E380 E381 C385 F386 K448 | D379-T383 WeakPolarHBondContact O-CB 3.39Å; D379-T383 PolarHBondContact O-N 3.29Å; D379-T383 PolarHBondContact O-OG1 3.45Å; E380-T383 WeakPolarHBondContact CA-OG1 3.35Å; E380-T383 PolarHBondContact O-OG1 3.47Å; E381-T383 VanDerWaalsContact C-N 3.29Å; E381-T383 PolarHBondContact O-N 3.01Å; T383-C385 VanDerWaalsContact C-N 3.3Å; T383-C385 PolarHBondContact O-N 2.78Å; T383-F386 PolarHBondContact O-N 3.06Å; T383-F386 VanDerWaalsContact O-N 3.1Å; T383-K448 HydrophobicContact CG2-CD 4.06Å; T383-K448 HydrophobicContact CG2-CG 3.6Å |
| 384 | K | 54.6 | Low | 53.7 | Low | 125 Ų | 125 | 67.5 Ų | 67.5 | 54% | 0.543 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 168.5 | -75.7 | 173.8 | -177.4 | 175.1 | 0 | 112.5 | E380 E381 F386 E387 | E380-K384 WeakPolarHBondContact O-CB 3.34Å; E380-K384 VanDerWaalsContact O-CG 3.26Å; E380-K384 WeakPolarHBondContact O-CG 3.16Å; E380-K384 PolarHBondContact O-N 3.27Å; E381-K384 PolarHBondContact O-N 2.74Å; K384-F386 PolarHBondContact O-N 3.2Å; K384-F386 VanDerWaalsContact O-N 3.12Å; K384-E387 WeakPolarHBondContact O-CB 3.32Å; K384-E387 PolarHBondContact O-N 3.02Å |
| 385 | C | 51.5 | Low | 54.1 | Low | 25 Ų | 25 | 66.2 Ų | 66.2 | 17% | 0.169 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.6 | 174.8 | -67.6 | 0 | 0 | 0 | 0 | 113.4 | E381 V382 T383 I398 | E381-C385 PolarHBondContact O-N 3.47Å; E381-C385 PolarHBondContact O-SG 2.97Å; V382-C385 WeakPolarHBondContact O-CB 3.36Å; V382-C385 PolarHBondContact O-N 2.7Å; T383-C385 VanDerWaalsContact C-N 3.3Å; T383-C385 PolarHBondContact O-N 2.78Å; C385-I398 HydrophobicContact CB-CD1 4.05Å; C385-I398 HydrophobicContact CB-CG1 4.18Å |
| 386 | F | 53.6 | Low | 54.5 | Low | 31 Ų | 31 | 67.3 Ų | 67.3 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -10 | 174.4 | -67.9 | -63.6 | 0 | 0 | 0 | 113.8 | V382 T383 K384 F392 A507 F511 | V382-F386 HydrophobicContact CG1-CD2 4.43Å; V382-F386 HydrophobicContact CG1-CE2 3.75Å; V382-F386 WeakPolarHBondContact O-CD2 3.49Å; V382-F386 WeakPolarHBondContact O-CE2 3.43Å; T383-F386 PolarHBondContact O-N 3.06Å; T383-F386 VanDerWaalsContact O-N 3.1Å; K384-F386 PolarHBondContact O-N 3.2Å; K384-F386 VanDerWaalsContact O-N 3.12Å; F386-F392 HydrophobicContact CD1-CE1 4.07Å; F386-F392 AromaticContact CD1-CZ 3.85Å; F386-F392 HydrophobicContact CD1-CZ 3.85Å; F386-F392 HydrophobicContact CE1-CE1 4.38Å; F386-A507 HydrophobicContact CE1-CB 3.72Å; F386-A507 HydrophobicContact CZ-CB 4.36Å; F386-F511 AromaticContact CZ-CE2 3.89Å; F386-F511 HydrophobicContact CZ-CE2 3.89Å; F386-F511 HydrophobicContact CZ-CZ 4.07Å |
| 387 | E | 53.4 | Low | 54.9 | Low | 123 Ų | 123 | 68.1 Ų | 68.1 | 58% | 0.575 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -34.6 | 179.8 | -68.2 | -174.6 | 159.8 | 0 | 0 | 112.7 | K384 Q444 | K384-E387 WeakPolarHBondContact O-CB 3.32Å; K384-E387 PolarHBondContact O-N 3.02Å; E387-Q444 PolarHBondContact OE1-NE2 2.65Å |
| 388 | E | 51.6 | Low | 55.6 | Low | 106 Ų | 106 | 63.5 Ų | 63.5 | 50% | 0.495 | 32% | 0.32 | S | S | . | . | trans | -101 | 115.4 | -175.9 | -75.2 | -175.8 | -162.8 | 0 | 0 | 111.1 | E390 Y391 | E388-E390 PolarHBondContact O-N 3.26Å; E388-Y391 HydrophobicContact CB-CD2 3.75Å; E388-Y391 HydrophobicContact CB-CE2 4.28Å; E388-Y391 PolarHBondContact O-N 3.16Å; E388-Y391 WeakPolarHBondContact OE2-CE2 3.27Å | ||
| 389 | D | 52.3 | Low | 56.4 | Low | 139 Ų | 139 | 63 Ų | 63 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -23 | 176.2 | -80.1 | -31.8 | 0 | 0 | 0 | 112.5 | ||
| 390 | E | 49.9 | Very low | 57 | Low | 158 Ų | 158 | 63.9 Ų | 63.9 | 74% | 0.738 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -28.6 | 178.2 | -68.3 | -169.4 | 166.8 | 0 | 0 | 113.8 | E388 S393 | E388-E390 PolarHBondContact O-N 3.26Å; E390-S393 VanDerWaalsContact O-CB 3.26Å; E390-S393 WeakPolarHBondContact O-CB 3.47Å; E390-S393 PolarHBondContact O-N 3.35Å; E390-S393 PolarHBondContact O-OG 3.46Å |
| 391 | Y | 47.2 | Very low | 57.4 | Low | 113 Ų | 113 | 60.2 Ų | 60.2 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -77.9 | -20.8 | -178.6 | -82.1 | -88.8 | 0 | 0 | 0 | 113.9 | E388 S393 N394 | E388-Y391 HydrophobicContact CB-CD2 3.75Å; E388-Y391 HydrophobicContact CB-CE2 4.28Å; E388-Y391 PolarHBondContact O-N 3.16Å; E388-Y391 WeakPolarHBondContact OE2-CE2 3.27Å; Y391-S393 PolarHBondContact O-N 3.05Å; Y391-S393 VanDerWaalsContact O-N 3.08Å; Y391-N394 PolarHBondContact O-N 3.39Å |
| 392 | F | 52.5 | Low | 58.1 | Low | 15 Ų | 15 | 57 Ų | 57 | 7% | 0.066 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -66.7 | -6.3 | 171.7 | -68 | -74 | 0 | 0 | 0 | 113.2 | F386 N394 S503 | F386-F392 HydrophobicContact CD1-CE1 4.07Å; F386-F392 AromaticContact CD1-CZ 3.85Å; F386-F392 HydrophobicContact CD1-CZ 3.85Å; F386-F392 HydrophobicContact CE1-CE1 4.38Å; F392-N394 PolarHBondContact O-N 3.16Å; F392-S503 WeakPolarHBondContact CD2-OG 3.35Å; F392-S503 VanDerWaalsContact CE2-OG 3.29Å; F392-S503 WeakPolarHBondContact CE2-OG 3.49Å; F392-S503 VanDerWaalsContact CG-CB 3.5Å; F392-S503 WeakPolarHBondContact CZ-OG 3.27Å |
| 393 | S | 56.3 | Low | 58.8 | Low | 83 Ų | 83 | 56.6 Ų | 56.6 | 58% | 0.58 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -66.2 | -22.8 | 171.6 | 65.3 | 0 | 0 | 0 | 0 | 113.5 | E390 Y391 | E390-S393 VanDerWaalsContact O-CB 3.26Å; E390-S393 WeakPolarHBondContact O-CB 3.47Å; E390-S393 PolarHBondContact O-N 3.35Å; E390-S393 PolarHBondContact O-OG 3.46Å; Y391-S393 PolarHBondContact O-N 3.05Å; Y391-S393 VanDerWaalsContact O-N 3.08Å |
| 394 | N | 64.8 | Low | 59.3 | Low | 79 Ų | 79 | 59.9 Ų | 59.9 | 42% | 0.422 | 30% | 0.304 | S | S | . | . | trans | -131.9 | 86 | 178.6 | -165.5 | -3.1 | 0 | 0 | 0 | 113.3 | Y391 F392 L396 S397 | Y391-N394 PolarHBondContact O-N 3.39Å; F392-N394 PolarHBondContact O-N 3.16Å; N394-L396 PolarHBondContact O-N 2.91Å; N394-L396 VanDerWaalsContact O-N 3.16Å; N394-L396 PolarHBondContact OD1-N 2.85Å; N394-S397 PolarHBondContact O-N 3.16Å; N394-S397 PolarHBondContact O-OG 3.42Å | ||
| 395 | P | 66.5 | Low | 59.6 | Low | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -50.5 | -39.4 | 177.6 | -13.7 | 8.1 | 0 | 0 | 0 | 114.8 | S397 I398 I399 R553 Y557 | P395-S397 VanDerWaalsContact C-N 3.33Å; P395-S397 PolarHBondContact O-N 3.26Å; P395-I398 PolarHBondContact O-N 2.84Å; P395-I398 VanDerWaalsContact O-N 3.16Å; P395-I399 HydrophobicContact CB-CD1 4.09Å; P395-I399 WeakPolarHBondContact O-CG1 3.47Å; P395-I399 PolarHBondContact O-N 3.03Å; P395-R553 WeakPolarHBondContact CG-O 3.47Å; P395-Y557 HydrophobicContact CB-CD2 4.09Å; P395-Y557 HydrophobicContact CB-CE1 4.4Å; P395-Y557 HydrophobicContact CB-CE2 3.49Å; P395-Y557 VanDerWaalsContact CB-CE2 3.49Å; P395-Y557 HydrophobicContact CG-CD2 4.45Å; P395-Y557 HydrophobicContact CG-CE2 3.85Å |
| 396 | L | 66.2 | Low | 60.2 | Low | 32 Ų | 32 | 54.4 Ų | 54.4 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.2 | -36.6 | -171.9 | -71.8 | 164.6 | 0 | 0 | 0 | 111.9 | N394 I398 I400 I556 D599 | N394-L396 PolarHBondContact O-N 2.91Å; N394-L396 VanDerWaalsContact O-N 3.16Å; N394-L396 PolarHBondContact OD1-N 2.85Å; L396-I398 PolarHBondContact O-N 3.1Å; L396-I400 HydrophobicContact CB-CD1 3.9Å; L396-I400 HydrophobicContact CD2-CD1 3.86Å; L396-I400 HydrophobicContact CD2-CG1 4.33Å; L396-I400 HydrophobicContact CG-CD1 4.47Å; L396-I400 WeakPolarHBondContact O-CB 3.39Å; L396-I400 WeakPolarHBondContact O-CD1 3.24Å; L396-I400 WeakPolarHBondContact O-CG1 3.45Å; L396-I400 PolarHBondContact O-N 3.03Å; L396-I400 VanDerWaalsContact O-N 3.15Å; L396-I556 HydrophobicContact CD1-CD1 3.97Å; L396-I556 HydrophobicContact CD2-CD1 4.07Å; L396-I556 HydrophobicContact CD2-CG2 3.81Å; L396-I556 HydrophobicContact CG-CD1 3.83Å; L396-I556 HydrophobicContact CG-CG2 4.39Å; L396-D599 HydrophobicContact CD1-CB 4Å; L396-D599 HydrophobicContact CD2-CB 3.73Å |
| 397 | S | 63.7 | Low | 60.7 | Low | 60 Ų | 60 | 55.1 Ų | 55.1 | 42% | 0.42 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.3 | -21 | 178.7 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | N394 P395 P401 | N394-S397 PolarHBondContact O-N 3.16Å; N394-S397 PolarHBondContact O-OG 3.42Å; P395-S397 VanDerWaalsContact C-N 3.33Å; P395-S397 PolarHBondContact O-N 3.26Å; S397-P401 WeakPolarHBondContact O-CD 3.29Å; S397-P401 WeakPolarHBondContact O-CG 3.46Å |
| 398 | I | 65 | Low | 61.1 | Low | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -93.1 | -48.5 | 177.6 | -57.9 | 173.5 | 0 | 0 | 0 | 110.5 | C385 P395 L396 I402 | C385-I398 HydrophobicContact CB-CD1 4.05Å; C385-I398 HydrophobicContact CB-CG1 4.18Å; P395-I398 PolarHBondContact O-N 2.84Å; P395-I398 VanDerWaalsContact O-N 3.16Å; L396-I398 PolarHBondContact O-N 3.1Å; I398-I402 HydrophobicContact CG2-CD1 3.93Å; I398-I402 WeakPolarHBondContact O-CD1 3.49Å; I398-I402 VanDerWaalsContact O-CG1 3.28Å; I398-I402 WeakPolarHBondContact O-CG1 3.01Å |
| 399 | I | 70.7 | Confident | 61.6 | Low | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.4 | -44.9 | -170.4 | -60.9 | 165.9 | 0 | 0 | 0 | 112.2 | P395 I402 E403 Y510 I556 Y557 W606 | P395-I399 HydrophobicContact CB-CD1 4.09Å; P395-I399 WeakPolarHBondContact O-CG1 3.47Å; P395-I399 PolarHBondContact O-N 3.03Å; I399-I402 PolarHBondContact O-N 3.4Å; I399-I402 VanDerWaalsContact O-N 3.16Å; I399-E403 HydrophobicContact CG2-CG 4.25Å; I399-E403 PolarHBondContact O-N 3.25Å; I399-Y510 HydrophobicContact CG2-CD2 4.45Å; I399-Y510 HydrophobicContact CG2-CE2 3.83Å; I399-I556 HydrophobicContact CD1-CG2 3.98Å; I399-Y557 HydrophobicContact CD1-CD1 3.4Å; I399-Y557 VanDerWaalsContact CD1-CD1 3.4Å; I399-Y557 HydrophobicContact CD1-CE1 3.56Å; I399-Y557 HydrophobicContact CD1-CG 3.97Å; I399-Y557 HydrophobicContact CG1-CD1 3.96Å; I399-Y557 HydrophobicContact CG1-CE1 3.77Å; I399-W606 HydrophobicContact CG2-CH2 3.53Å; I399-W606 HydrophobicContact CG2-CZ2 3.59Å |
| 400 | I | 66.4 | Low | 62.2 | Low | 21 Ų | 21 | 43.2 Ų | 43.2 | 11% | 0.108 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | -173.6 | -66.5 | 162.9 | 0 | 0 | 0 | 111.5 | L396 I402 E403 M404 H602 I605 | L396-I400 HydrophobicContact CB-CD1 3.9Å; L396-I400 HydrophobicContact CD2-CD1 3.86Å; L396-I400 HydrophobicContact CD2-CG1 4.33Å; L396-I400 HydrophobicContact CG-CD1 4.47Å; L396-I400 WeakPolarHBondContact O-CB 3.39Å; L396-I400 WeakPolarHBondContact O-CD1 3.24Å; L396-I400 WeakPolarHBondContact O-CG1 3.45Å; L396-I400 PolarHBondContact O-N 3.03Å; L396-I400 VanDerWaalsContact O-N 3.15Å; I400-I402 VanDerWaalsContact C-N 3.33Å; I400-I402 PolarHBondContact O-N 2.89Å; I400-E403 PolarHBondContact O-N 2.9Å; I400-M404 HydrophobicContact CG2-CG 4.21Å; I400-M404 HydrophobicContact CG2-SD 3.91Å; I400-M404 WeakPolarHBondContact O-CB 3.5Å; I400-M404 WeakPolarHBondContact O-CG 3.33Å; I400-M404 PolarHBondContact O-N 3.31Å; I400-H602 HydrophobicContact CD1-CB 4.27Å; I400-H602 WeakPolarHBondContact CD1-ND1 3.45Å; I400-H602 HydrophobicContact CG1-CB 4.31Å; I400-I605 HydrophobicContact CG2-CD1 4.08Å |
| 401 | P | 62.4 | Low | 62.8 | Low | 28 Ų | 28 | 38 Ų | 38 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.6 | -46.4 | 174.5 | -27.7 | 36.3 | 0 | 0 | 0 | 112.6 | S397 E403 M404 F405 | S397-P401 WeakPolarHBondContact O-CD 3.29Å; S397-P401 WeakPolarHBondContact O-CG 3.46Å; P401-E403 VanDerWaalsContact C-N 3.34Å; P401-E403 PolarHBondContact O-N 3.08Å; P401-M404 PolarHBondContact O-N 3.03Å; P401-F405 VanDerWaalsContact C-CD2 3.43Å; P401-F405 HydrophobicContact CB-CD2 4.36Å; P401-F405 HydrophobicContact CB-CE2 4.01Å; P401-F405 HydrophobicContact CB-CZ 4.17Å; P401-F405 WeakPolarHBondContact O-CB 3.4Å; P401-F405 WeakPolarHBondContact O-CD2 3.38Å; P401-F405 VanDerWaalsContact O-CE2 3.27Å; P401-F405 WeakPolarHBondContact O-CE2 3.46Å; P401-F405 WeakPolarHBondContact O-CG 3.45Å; P401-F405 PolarHBondContact O-N 3.23Å |
| 402 | I | 65.3 | Low | 63.4 | Low | 15.5 Ų | 15.5 | 33.3 Ų | 33.3 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | -177.8 | -65.3 | 169.3 | 0 | 0 | 0 | 111 | V382 I398 I399 I400 F405 G406 F511 | V382-I402 HydrophobicContact CG1-CD1 3.88Å; V382-I402 HydrophobicContact CG1-CG1 4.44Å; V382-I402 HydrophobicContact CG2-CG1 4.33Å; I398-I402 HydrophobicContact CG2-CD1 3.93Å; I398-I402 WeakPolarHBondContact O-CD1 3.49Å; I398-I402 VanDerWaalsContact O-CG1 3.28Å; I398-I402 WeakPolarHBondContact O-CG1 3.01Å; I399-I402 PolarHBondContact O-N 3.4Å; I399-I402 VanDerWaalsContact O-N 3.16Å; I400-I402 VanDerWaalsContact C-N 3.33Å; I400-I402 PolarHBondContact O-N 2.89Å; I402-F405 WeakPolarHBondContact O-CB 2.95Å; I402-F405 PolarHBondContact O-N 2.79Å; I402-G406 PolarHBondContact O-N 3.28Å; I402-F511 HydrophobicContact CD1-CE1 4.48Å; I402-F511 HydrophobicContact CD1-CZ 4.3Å; I402-F511 HydrophobicContact CG2-CE1 4.34Å |
| 403 | E | 67.8 | Low | 63.9 | Low | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.9 | -42.1 | 178.9 | -72.3 | -62.6 | 163.6 | 0 | 0 | 113 | I399 I400 P401 F405 G406 I407 Y510 R514 I605 W606 | I399-E403 HydrophobicContact CG2-CG 4.25Å; I399-E403 PolarHBondContact O-N 3.25Å; I400-E403 PolarHBondContact O-N 2.9Å; P401-E403 VanDerWaalsContact C-N 3.34Å; P401-E403 PolarHBondContact O-N 3.08Å; E403-F405 VanDerWaalsContact C-N 3.28Å; E403-F405 PolarHBondContact O-N 3.36Å; E403-G406 WeakPolarHBondContact O-CA 3.49Å; E403-G406 PolarHBondContact O-N 3.22Å; E403-G406 VanDerWaalsContact O-N 3.08Å; E403-I407 WeakPolarHBondContact O-CG1 3.4Å; E403-I407 PolarHBondContact O-N 3.35Å; E403-Y510 WeakPolarHBondContact CG-OH 3.37Å; E403-Y510 PolarHBondContact OE1-OH 3.04Å; E403-R514 VanDerWaalsContact OE1-CD 3.32Å; E403-R514 WeakPolarHBondContact OE1-CD 3.38Å; E403-R514 IonicContact OE1-CZ 2.8Å; E403-R514 IonicContact OE1-NE 3.23Å; E403-R514 PolarHBondContact OE1-NE 3.18Å; E403-R514 IonicContact OE1-NH2 3.61Å; E403-R514 IonicContact OE2-CZ 2.78Å; E403-R514 IonicContact OE2-NE 3.46Å; E403-R514 PolarHBondContact OE2-NE 3.17Å; E403-R514 IonicContact OE2-NH2 3.74Å; E403-R514 PolarHBondContact OE2-NH2 3.08Å; E403-I605 HydrophobicContact CB-CG2 3.67Å; E403-I605 HydrophobicContact CG-CG2 4.36Å; E403-W606 HydrophobicContact CG-CH2 3.54Å; E403-W606 HydrophobicContact CG-CZ2 4.2Å; E403-W606 HydrophobicContact CG-CZ3 3.88Å; E403-W606 WeakPolarHBondContact OE1-CH2 3.23Å; E403-W606 VanDerWaalsContact OE1-CZ3 3.32Å; E403-W606 WeakPolarHBondContact OE1-CZ3 3.25Å |
| 404 | M | 62.7 | Low | 64.2 | Low | 83.5 Ų | 83.5 | 29.6 Ų | 29.6 | 41% | 0.411 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.6 | -41.8 | 173.9 | -74.2 | -119.3 | 1.2 | 0 | 0 | 111.1 | I400 P401 Q408 I605 | I400-M404 HydrophobicContact CG2-CG 4.21Å; I400-M404 HydrophobicContact CG2-SD 3.91Å; I400-M404 WeakPolarHBondContact O-CB 3.5Å; I400-M404 WeakPolarHBondContact O-CG 3.33Å; I400-M404 PolarHBondContact O-N 3.31Å; P401-M404 PolarHBondContact O-N 3.03Å; M404-Q408 WeakPolarHBondContact O-CB 3.4Å; M404-Q408 VanDerWaalsContact O-CG 3.29Å; M404-Q408 WeakPolarHBondContact O-CG 3.4Å; M404-Q408 PolarHBondContact O-N 3.19Å; M404-Q408 VanDerWaalsContact O-N 3.08Å; M404-I605 HydrophobicContact CG-CD1 4.1Å; M404-I605 HydrophobicContact SD-CD1 4.12Å |
| 405 | F | 61.7 | Low | 64.1 | Low | 20.5 Ų | 20.5 | 30 Ų | 30 | 9% | 0.09 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 171.8 | -72.4 | -51.9 | 0 | 0 | 0 | 111.6 | Y347 V378 P401 I402 E403 I407 Q408 Y409 | Y347-F405 HydrophobicContact CD1-CE1 4.32Å; Y347-F405 HydrophobicContact CE1-CD1 4.13Å; Y347-F405 AromaticContact CE1-CE1 3.37Å; Y347-F405 HydrophobicContact CE1-CE1 3.37Å; Y347-F405 HydrophobicContact CE1-CZ 4.02Å; Y347-F405 AromaticContact CE2-CE1 3.81Å; Y347-F405 HydrophobicContact CE2-CE1 3.81Å; Y347-F405 HydrophobicContact CE2-CZ 4.27Å; Y347-F405 AromaticContact CZ-CE1 3.13Å; Y347-F405 AromaticContact CZ-CZ 3.49Å; Y347-F405 VanDerWaalsContact CZ-CZ 3.49Å; Y347-F405 WeakPolarHBondContact OH-CE1 3.44Å; Y347-F405 WeakPolarHBondContact OH-CZ 3.35Å; V378-F405 HydrophobicContact CG1-CD2 4.3Å; V378-F405 HydrophobicContact CG1-CE2 4.05Å; V378-F405 HydrophobicContact CG1-CZ 4.39Å; P401-F405 VanDerWaalsContact C-CD2 3.43Å; P401-F405 HydrophobicContact CB-CD2 4.36Å; P401-F405 HydrophobicContact CB-CE2 4.01Å; P401-F405 HydrophobicContact CB-CZ 4.17Å; P401-F405 WeakPolarHBondContact O-CB 3.4Å; P401-F405 WeakPolarHBondContact O-CD2 3.38Å; P401-F405 VanDerWaalsContact O-CE2 3.27Å; P401-F405 WeakPolarHBondContact O-CE2 3.46Å; P401-F405 WeakPolarHBondContact O-CG 3.45Å; P401-F405 PolarHBondContact O-N 3.23Å; I402-F405 WeakPolarHBondContact O-CB 2.95Å; I402-F405 PolarHBondContact O-N 2.79Å; E403-F405 VanDerWaalsContact C-N 3.28Å; E403-F405 PolarHBondContact O-N 3.36Å; F405-I407 VanDerWaalsContact C-N 3.3Å; F405-I407 PolarHBondContact O-N 3.42Å; F405-Q408 PolarHBondContact O-N 3.14Å; F405-Y409 HydrophobicContact CB-CD2 3.88Å; F405-Y409 HydrophobicContact CB-CE2 4.03Å; F405-Y409 HydrophobicContact CD1-CD2 4.3Å; F405-Y409 AromaticContact CD1-CE2 3.99Å; F405-Y409 HydrophobicContact CD1-CE2 3.99Å; F405-Y409 HydrophobicContact CG-CE2 4.49Å; F405-Y409 WeakPolarHBondContact O-CB 3.35Å; F405-Y409 WeakPolarHBondContact O-CD2 3.32Å; F405-Y409 PolarHBondContact O-N 3.15Å |
| 406 | G | 64.8 | Low | 63.8 | Low | 13.5 Ų | 13.5 | 30.4 Ų | 30.4 | 14% | 0.139 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.7 | -46.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I402 E403 K410 | I402-G406 PolarHBondContact O-N 3.28Å; E403-G406 WeakPolarHBondContact O-CA 3.49Å; E403-G406 PolarHBondContact O-N 3.22Å; E403-G406 VanDerWaalsContact O-N 3.08Å; G406-K410 WeakPolarHBondContact O-CB 3.4Å; G406-K410 PolarHBondContact O-N 3.35Å; G406-K410 VanDerWaalsContact O-N 3.08Å |
| 407 | I | 63.1 | Low | 63.7 | Low | 46.5 Ų | 46.5 | 29.3 Ų | 29.3 | 24% | 0.238 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 178.9 | -65.3 | 169.3 | 0 | 0 | 0 | 111.2 | E403 F405 I605 H608 | E403-I407 WeakPolarHBondContact O-CG1 3.4Å; E403-I407 PolarHBondContact O-N 3.35Å; F405-I407 VanDerWaalsContact C-N 3.3Å; F405-I407 PolarHBondContact O-N 3.42Å; I407-I605 HydrophobicContact CD1-CG2 3.9Å; I407-H608 HydrophobicContact CD1-CB 4.16Å |
| 408 | Q | 61.4 | Low | 63.6 | Low | 71.5 Ų | 71.5 | 31.4 Ų | 31.4 | 33% | 0.334 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.7 | -48.3 | 179.5 | -72.9 | -180 | -8.3 | 0 | 0 | 111.8 | M404 F405 K410 S411 I412 | M404-Q408 WeakPolarHBondContact O-CB 3.4Å; M404-Q408 VanDerWaalsContact O-CG 3.29Å; M404-Q408 WeakPolarHBondContact O-CG 3.4Å; M404-Q408 PolarHBondContact O-N 3.19Å; M404-Q408 VanDerWaalsContact O-N 3.08Å; F405-Q408 PolarHBondContact O-N 3.14Å; Q408-K410 VanDerWaalsContact C-N 3.3Å; Q408-K410 PolarHBondContact O-N 3.02Å; Q408-S411 PolarHBondContact O-N 3.48Å; Q408-S411 PolarHBondContact O-OG 3.01Å; Q408-S411 VanDerWaalsContact O-OG 3.05Å; Q408-I412 WeakPolarHBondContact O-CD1 3.44Å; Q408-I412 WeakPolarHBondContact O-CG1 3.26Å; Q408-I412 PolarHBondContact O-N 3.12Å |
| 409 | Y | 62.5 | Low | 63.4 | Low | 22 Ų | 22 | 32.7 Ų | 32.7 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.2 | -25.9 | -178.9 | -85.1 | -85 | 0 | 0 | 0 | 113.1 | F405 S411 I412 I413 | F405-Y409 HydrophobicContact CB-CD2 3.88Å; F405-Y409 HydrophobicContact CB-CE2 4.03Å; F405-Y409 HydrophobicContact CD1-CD2 4.3Å; F405-Y409 AromaticContact CD1-CE2 3.99Å; F405-Y409 HydrophobicContact CD1-CE2 3.99Å; F405-Y409 HydrophobicContact CG-CE2 4.49Å; F405-Y409 WeakPolarHBondContact O-CB 3.35Å; F405-Y409 WeakPolarHBondContact O-CD2 3.32Å; F405-Y409 PolarHBondContact O-N 3.15Å; Y409-S411 VanDerWaalsContact C-N 3.28Å; Y409-S411 PolarHBondContact O-N 3.43Å; Y409-I412 HydrophobicContact CD1-CG2 4.27Å; Y409-I412 CarbonylContact O-C 3.58Å; Y409-I412 WeakPolarHBondContact O-CA 3.44Å; Y409-I412 WeakPolarHBondContact O-CB 3.22Å; Y409-I412 PolarHBondContact O-N 3.02Å; Y409-I413 VanDerWaalsContact O-CB 3.28Å; Y409-I413 WeakPolarHBondContact O-CB 3.33Å; Y409-I413 VanDerWaalsContact O-CG1 3.28Å; Y409-I413 WeakPolarHBondContact O-CG1 3.39Å; Y409-I413 PolarHBondContact O-N 3.28Å |
| 410 | K | 65.2 | Low | 62.9 | Low | 24.5 Ų | 24.5 | 34 Ų | 34 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -51.1 | -52.1 | 175.6 | 175.2 | 175.4 | 174.9 | -178 | 0 | 111.9 | G406 Q408 I412 I413 S414 S458 S461 D462 | G406-K410 WeakPolarHBondContact O-CB 3.4Å; G406-K410 PolarHBondContact O-N 3.35Å; G406-K410 VanDerWaalsContact O-N 3.08Å; Q408-K410 VanDerWaalsContact C-N 3.3Å; Q408-K410 PolarHBondContact O-N 3.02Å; K410-I412 VanDerWaalsContact C-N 3.32Å; K410-I412 PolarHBondContact O-N 3.39Å; K410-I413 PolarHBondContact O-N 3.5Å; K410-S414 WeakPolarHBondContact O-CB 3.32Å; K410-S414 PolarHBondContact O-N 2.8Å; K410-S414 PolarHBondContact O-OG 3.03Å; K410-S458 VanDerWaalsContact CE-O 3.31Å; K410-S458 WeakPolarHBondContact CE-O 3.42Å; K410-S458 WeakPolarHBondContact CG-O 3.35Å; K410-S461 WeakPolarHBondContact CE-OG 3.37Å; K410-S461 PolarHBondContact NZ-OG 3.12Å; K410-S461 VanDerWaalsContact NZ-OG 3.11Å; K410-D462 VanDerWaalsContact CE-OD1 3.3Å; K410-D462 WeakPolarHBondContact CE-OD1 3.39Å; K410-D462 VanDerWaalsContact CE-OD2 3.31Å; K410-D462 WeakPolarHBondContact CE-OD2 3.26Å; K410-D462 IonicContact NZ-OD1 2.89Å; K410-D462 PolarHBondContact NZ-OD1 3.37Å |
| 411 | S | 62 | Low | 62.9 | Low | 49 Ų | 49 | 39.1 Ų | 39.1 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.4 | -32.9 | 179.4 | 118.7 | 0 | 0 | 0 | 0 | 113 | Q408 Y409 S414 K415 | Q408-S411 PolarHBondContact O-N 3.48Å; Q408-S411 PolarHBondContact O-OG 3.01Å; Q408-S411 VanDerWaalsContact O-OG 3.05Å; Y409-S411 VanDerWaalsContact C-N 3.28Å; Y409-S411 PolarHBondContact O-N 3.43Å; S411-S414 PolarHBondContact O-OG 3.35Å; S411-K415 WeakPolarHBondContact O-CB 3.42Å; S411-K415 WeakPolarHBondContact O-CD 3.12Å; S411-K415 VanDerWaalsContact O-CG 3.24Å; S411-K415 WeakPolarHBondContact O-CG 3.3Å; S411-K415 PolarHBondContact O-N 3.38Å; S411-K415 VanDerWaalsContact O-N 3.11Å |
| 412 | I | 59.6 | Low | 63.2 | Low | 14.5 Ų | 14.5 | 40.6 Ų | 40.6 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.7 | -49.6 | -179.4 | -72.1 | 168.1 | 0 | 0 | 0 | 109.9 | L354 Q408 Y409 K410 S414 K415 I416 | L354-I412 HydrophobicContact CB-CG2 4.41Å; L354-I412 HydrophobicContact CD1-CD1 3.63Å; L354-I412 HydrophobicContact CD1-CG1 4.18Å; L354-I412 HydrophobicContact CD1-CG2 3.64Å; L354-I412 HydrophobicContact CD2-CG2 3.65Å; L354-I412 HydrophobicContact CG-CG2 4.12Å; Q408-I412 WeakPolarHBondContact O-CD1 3.44Å; Q408-I412 WeakPolarHBondContact O-CG1 3.26Å; Q408-I412 PolarHBondContact O-N 3.12Å; Y409-I412 HydrophobicContact CD1-CG2 4.27Å; Y409-I412 CarbonylContact O-C 3.58Å; Y409-I412 WeakPolarHBondContact O-CA 3.44Å; Y409-I412 WeakPolarHBondContact O-CB 3.22Å; Y409-I412 PolarHBondContact O-N 3.02Å; K410-I412 VanDerWaalsContact C-N 3.32Å; K410-I412 PolarHBondContact O-N 3.39Å; I412-S414 VanDerWaalsContact C-N 3.31Å; I412-S414 PolarHBondContact O-N 3.2Å; I412-K415 PolarHBondContact O-N 3.28Å; I412-I416 HydrophobicContact CG2-CD1 3.66Å; I412-I416 HydrophobicContact CG2-CG1 4.29Å; I412-I416 WeakPolarHBondContact O-CB 3.42Å; I412-I416 VanDerWaalsContact O-CG1 3.24Å; I412-I416 WeakPolarHBondContact O-CG1 3.38Å; I412-I416 PolarHBondContact O-N 3.32Å |
| 413 | I | 63 | Low | 63.3 | Low | 10.5 Ų | 10.5 | 44.5 Ų | 44.5 | 5% | 0.054 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | -179.5 | -67.4 | 169.3 | 0 | 0 | 0 | 109.6 | I375 Y409 K410 I416 L417 R455 | I375-I413 HydrophobicContact CD1-CD1 4.49Å; Y409-I413 VanDerWaalsContact O-CB 3.28Å; Y409-I413 WeakPolarHBondContact O-CB 3.33Å; Y409-I413 VanDerWaalsContact O-CG1 3.28Å; Y409-I413 WeakPolarHBondContact O-CG1 3.39Å; Y409-I413 PolarHBondContact O-N 3.28Å; K410-I413 PolarHBondContact O-N 3.5Å; I413-I416 PolarHBondContact O-N 2.96Å; I413-L417 HydrophobicContact CG2-CD1 3.67Å; I413-L417 HydrophobicContact CG2-CG 4.23Å; I413-L417 WeakPolarHBondContact O-CB 3.29Å; I413-L417 VanDerWaalsContact O-CG 3.25Å; I413-L417 WeakPolarHBondContact O-CG 3.37Å; I413-L417 PolarHBondContact O-N 3.27Å; I413-R455 HydrophobicContact CD1-CB 3.89Å; I413-R455 WeakPolarHBondContact CD1-O 3.4Å |
| 414 | S | 64 | Low | 63.3 | Low | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -49.1 | 175.3 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | K410 S411 I412 I416 L417 F418 G459 D462 | K410-S414 WeakPolarHBondContact O-CB 3.32Å; K410-S414 PolarHBondContact O-N 2.8Å; K410-S414 PolarHBondContact O-OG 3.03Å; S411-S414 PolarHBondContact O-OG 3.35Å; I412-S414 VanDerWaalsContact C-N 3.31Å; I412-S414 PolarHBondContact O-N 3.2Å; S414-I416 VanDerWaalsContact C-N 3.35Å; S414-I416 PolarHBondContact O-N 3.25Å; S414-L417 PolarHBondContact O-N 3.34Å; S414-F418 WeakPolarHBondContact O-CB 3.34Å; S414-F418 WeakPolarHBondContact O-CD2 3.08Å; S414-F418 PolarHBondContact O-N 3.09Å; S414-G459 WeakPolarHBondContact CB-O 3.35Å; S414-D462 WeakPolarHBondContact CB-OD2 3.38Å; S414-D462 PolarHBondContact OG-OD2 3.22Å |
| 415 | K | 61.8 | Low | 63.5 | Low | 87.5 Ų | 87.5 | 42.1 Ų | 42.1 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.4 | -43.1 | 175.5 | -75.8 | 174.1 | -174.3 | 175.8 | 0 | 113.2 | S411 I412 F418 S419 | S411-K415 WeakPolarHBondContact O-CB 3.42Å; S411-K415 WeakPolarHBondContact O-CD 3.12Å; S411-K415 VanDerWaalsContact O-CG 3.24Å; S411-K415 WeakPolarHBondContact O-CG 3.3Å; S411-K415 PolarHBondContact O-N 3.38Å; S411-K415 VanDerWaalsContact O-N 3.11Å; I412-K415 PolarHBondContact O-N 3.28Å; K415-F418 WeakPolarHBondContact O-CB 3.42Å; K415-F418 PolarHBondContact O-N 3.21Å; K415-S419 PolarHBondContact O-N 3.25Å; K415-S419 VanDerWaalsContact O-N 3.16Å |
| 416 | I | 60.7 | Low | 63.9 | Low | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -50.2 | 177.9 | -70.3 | 166.3 | 0 | 0 | 0 | 109.8 | L354 L361 L371 I412 I413 S414 F418 S419 C420 | L354-I416 HydrophobicContact CD2-CD1 4.04Å; L361-I416 HydrophobicContact CD1-CG2 4.22Å; L371-I416 HydrophobicContact CD1-CG2 3.65Å; L371-I416 HydrophobicContact CD2-CD1 3.84Å; L371-I416 HydrophobicContact CD2-CG2 4.09Å; L371-I416 HydrophobicContact CG-CG2 4.5Å; I412-I416 HydrophobicContact CG2-CD1 3.66Å; I412-I416 HydrophobicContact CG2-CG1 4.29Å; I412-I416 WeakPolarHBondContact O-CB 3.42Å; I412-I416 VanDerWaalsContact O-CG1 3.24Å; I412-I416 WeakPolarHBondContact O-CG1 3.38Å; I412-I416 PolarHBondContact O-N 3.32Å; I413-I416 PolarHBondContact O-N 2.96Å; S414-I416 VanDerWaalsContact C-N 3.35Å; S414-I416 PolarHBondContact O-N 3.25Å; I416-F418 VanDerWaalsContact C-N 3.29Å; I416-F418 PolarHBondContact O-N 3.13Å; I416-S419 WeakPolarHBondContact O-CA 3.4Å; I416-S419 PolarHBondContact O-N 3Å; I416-S419 PolarHBondContact O-OG 3.12Å; I416-C420 PolarHBondContact O-N 3.11Å; I416-C420 PolarHBondContact O-SG 3.1Å |
| 417 | L | 62.7 | Low | 64 | Low | 9 Ų | 9 | 50.8 Ų | 50.8 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -35 | 179.6 | -71.3 | 170 | 0 | 0 | 0 | 112.1 | L368 I413 S414 S419 C420 V425 L460 L463 | L368-L417 HydrophobicContact CD2-CD2 3.81Å; I413-L417 HydrophobicContact CG2-CD1 3.67Å; I413-L417 HydrophobicContact CG2-CG 4.23Å; I413-L417 WeakPolarHBondContact O-CB 3.29Å; I413-L417 VanDerWaalsContact O-CG 3.25Å; I413-L417 WeakPolarHBondContact O-CG 3.37Å; I413-L417 PolarHBondContact O-N 3.27Å; S414-L417 PolarHBondContact O-N 3.34Å; L417-S419 VanDerWaalsContact C-N 3.29Å; L417-S419 PolarHBondContact O-N 3.26Å; L417-C420 PolarHBondContact O-N 3.05Å; L417-V425 HydrophobicContact CD2-CG1 3.96Å; L417-V425 HydrophobicContact CD2-CG2 4.11Å; L417-L460 HydrophobicContact CD1-CD2 3.93Å; L417-L460 HydrophobicContact CD1-CG 4.19Å; L417-L463 HydrophobicContact CB-CD1 3.57Å; L417-L463 HydrophobicContact CB-CD2 4.03Å; L417-L463 HydrophobicContact CB-CG 4.21Å; L417-L463 HydrophobicContact CD1-CD1 3.55Å; L417-L463 HydrophobicContact CG-CD1 4.18Å |
| 418 | F | 62.2 | Low | 64.3 | Low | 103 Ų | 103 | 49.5 Ų | 49.5 | 45% | 0.452 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.5 | -26.5 | 171.9 | -87.5 | -68.2 | 0 | 0 | 0 | 113.6 | S414 K415 I416 D462 L463 S465 L466 | S414-F418 WeakPolarHBondContact O-CB 3.34Å; S414-F418 WeakPolarHBondContact O-CD2 3.08Å; S414-F418 PolarHBondContact O-N 3.09Å; K415-F418 WeakPolarHBondContact O-CB 3.42Å; K415-F418 PolarHBondContact O-N 3.21Å; I416-F418 VanDerWaalsContact C-N 3.29Å; I416-F418 PolarHBondContact O-N 3.13Å; F418-D462 HydrophobicContact CE2-CB 4.29Å; F418-D462 VanDerWaalsContact CZ-O 3.23Å; F418-D462 WeakPolarHBondContact CZ-O 3.44Å; F418-L463 HydrophobicContact CD1-CD2 3.85Å; F418-L463 HydrophobicContact CD2-CD2 3.91Å; F418-L463 HydrophobicContact CD2-CG 4.42Å; F418-L463 HydrophobicContact CE1-CD2 3.78Å; F418-L463 HydrophobicContact CE2-CD2 3.78Å; F418-L463 VanDerWaalsContact CE2-CD2 3.46Å; F418-L463 HydrophobicContact CE2-CG 4.12Å; F418-L463 HydrophobicContact CG-CD2 3.91Å; F418-L463 HydrophobicContact CZ-CD2 3.72Å; F418-L463 VanDerWaalsContact CZ-CD2 3.43Å; F418-L463 HydrophobicContact CZ-CG 4.29Å; F418-S465 WeakPolarHBondContact CE1-OG 3.36Å; F418-S465 WeakPolarHBondContact CZ-OG 3.34Å; F418-L466 HydrophobicContact CD1-CD1 3.7Å; F418-L466 HydrophobicContact CE1-CD1 3.68Å; F418-L466 HydrophobicContact CE1-CG 4.28Å |
| 419 | S | 60.2 | Low | 64.5 | Low | 37.5 Ų | 37.5 | 46.5 Ų | 46.5 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -89 | -13 | -179.5 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | L362 K415 I416 L417 | L362-S419 WeakPolarHBondContact CD1-O 3.33Å; K415-S419 PolarHBondContact O-N 3.25Å; K415-S419 VanDerWaalsContact O-N 3.16Å; I416-S419 WeakPolarHBondContact O-CA 3.4Å; I416-S419 PolarHBondContact O-N 3Å; I416-S419 PolarHBondContact O-OG 3.12Å; L417-S419 VanDerWaalsContact C-N 3.29Å; L417-S419 PolarHBondContact O-N 3.26Å |
| 420 | C | 62.1 | Low | 64.9 | Low | 27.5 Ų | 27.5 | 50.6 Ų | 50.6 | 19% | 0.186 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -92.9 | 151.6 | -178 | -65.1 | 0 | 0 | 0 | 0 | 112 | L368 I416 L417 V425 | L368-C420 HydrophobicContact CD1-CB 3.81Å; I416-C420 PolarHBondContact O-N 3.11Å; I416-C420 PolarHBondContact O-SG 3.1Å; L417-C420 PolarHBondContact O-N 3.05Å; C420-V425 HydrophobicContact CB-CG2 3.88Å |
| 421 | D | 65.7 | Low | 64.9 | Low | 130 Ų | 130 | 53 Ų | 53 | 70% | 0.695 | 29% | 0.286 | S | S | * | . | trans | -64.1 | 138.4 | 174.4 | -72.5 | -23.7 | 0 | 0 | 0 | 110.9 | V423 S424 V425 | D421-V423 PolarHBondContact O-N 3.05Å; D421-V423 VanDerWaalsContact O-N 3.1Å; D421-S424 WeakPolarHBondContact O-CB 3.38Å; D421-S424 PolarHBondContact O-N 2.96Å; D421-S424 PolarHBondContact O-OG 3.1Å; D421-V425 PolarHBondContact O-N 3.22Å; D421-V425 VanDerWaalsContact O-N 3.13Å | ||
| 422 | I | 67.9 | Low | 64.9 | Low | 58.5 Ų | 58.5 | 53.4 Ų | 53.4 | 30% | 0.3 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -53 | -37.7 | -176 | -59.5 | 177.5 | 0 | 0 | 0 | 112.1 | S424 V425 K426 L466 E468 L469 | I422-S424 PolarHBondContact O-N 3.06Å; I422-V425 PolarHBondContact O-N 3.17Å; I422-K426 WeakPolarHBondContact O-CB 3.36Å; I422-K426 PolarHBondContact O-N 3.29Å; I422-L466 HydrophobicContact CD1-CD2 4.05Å; I422-L466 HydrophobicContact CG1-CD2 3.64Å; I422-E468 WeakPolarHBondContact CD1-OE2 3.42Å; I422-E468 HydrophobicContact CG2-CB 4.43Å; I422-L469 HydrophobicContact CG2-CD1 4.25Å; I422-L469 HydrophobicContact CG2-CD2 4.09Å; I422-L469 HydrophobicContact CG2-CG 4Å |
| 423 | V | 68.6 | Low | 64.9 | Low | 97 Ų | 97 | 55.9 Ų | 55.9 | 59% | 0.588 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 177.9 | -178 | 0 | 0 | 0 | 0 | 111.2 | D421 V425 K426 E427 | D421-V423 PolarHBondContact O-N 3.05Å; D421-V423 VanDerWaalsContact O-N 3.1Å; V423-V425 VanDerWaalsContact C-N 3.34Å; V423-V425 PolarHBondContact O-N 3.41Å; V423-K426 WeakPolarHBondContact O-CB 3.43Å; V423-K426 PolarHBondContact O-N 3.16Å; V423-E427 WeakPolarHBondContact O-CG 3.29Å; V423-E427 PolarHBondContact O-N 3.35Å |
| 424 | S | 66.3 | Low | 64.6 | Low | 38 Ų | 38 | 56.5 Ų | 56.5 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 179.6 | 71.5 | 0 | 0 | 0 | 0 | 112.2 | L368 D421 I422 F428 | L368-S424 WeakPolarHBondContact CD1-OG 3.35Å; D421-S424 WeakPolarHBondContact O-CB 3.38Å; D421-S424 PolarHBondContact O-N 2.96Å; D421-S424 PolarHBondContact O-OG 3.1Å; I422-S424 PolarHBondContact O-N 3.06Å; S424-F428 VanDerWaalsContact O-CB 3.25Å; S424-F428 WeakPolarHBondContact O-CB 3.43Å; S424-F428 PolarHBondContact O-N 3.15Å |
| 425 | V | 67.4 | Low | 64.2 | Low | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67 | -42.2 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | L417 C420 D421 I422 V423 F428 L429 L469 | L417-V425 HydrophobicContact CD2-CG1 3.96Å; L417-V425 HydrophobicContact CD2-CG2 4.11Å; C420-V425 HydrophobicContact CB-CG2 3.88Å; D421-V425 PolarHBondContact O-N 3.22Å; D421-V425 VanDerWaalsContact O-N 3.13Å; I422-V425 PolarHBondContact O-N 3.17Å; V423-V425 VanDerWaalsContact C-N 3.34Å; V423-V425 PolarHBondContact O-N 3.41Å; V425-F428 PolarHBondContact O-N 2.97Å; V425-L429 HydrophobicContact CG1-CD1 4.02Å; V425-L429 HydrophobicContact CG1-CG 4.39Å; V425-L429 VanDerWaalsContact O-CG 3.28Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3.1Å; V425-L469 HydrophobicContact CB-CD1 4.17Å; V425-L469 HydrophobicContact CG1-CD1 3.72Å; V425-L469 HydrophobicContact CG1-CD2 4.44Å |
| 426 | K | 69.6 | Low | 63.8 | Low | 89.5 Ų | 89.5 | 65.2 Ų | 65.2 | 39% | 0.389 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -50.1 | 176.9 | -178.2 | 172.6 | 173.1 | 176.4 | 0 | 112.2 | I422 V423 F428 L429 E430 L469 I472 | I422-K426 WeakPolarHBondContact O-CB 3.36Å; I422-K426 PolarHBondContact O-N 3.29Å; V423-K426 WeakPolarHBondContact O-CB 3.43Å; V423-K426 PolarHBondContact O-N 3.16Å; K426-F428 VanDerWaalsContact C-N 3.3Å; K426-F428 PolarHBondContact O-N 3.42Å; K426-L429 PolarHBondContact O-N 3.25Å; K426-E430 WeakPolarHBondContact CE-OE1 3.33Å; K426-E430 HydrophobicContact CG-CG 4.5Å; K426-E430 IonicContact NZ-OE1 2.87Å; K426-E430 WeakPolarHBondContact O-CG 3.45Å; K426-E430 PolarHBondContact O-N 3.19Å; K426-L469 HydrophobicContact CB-CD2 4Å; K426-L469 HydrophobicContact CD-CD2 4.43Å; K426-L469 HydrophobicContact CG-CD2 4.15Å; K426-I472 HydrophobicContact CD-CD1 3.64Å; K426-I472 VanDerWaalsContact CE-CD1 3.44Å; K426-I472 HydrophobicContact CG-CD1 3.73Å |
| 427 | E | 68.5 | Low | 63.4 | Low | 126 Ų | 126 | 65.8 Ų | 65.8 | 59% | 0.589 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.9 | -39.8 | 177.3 | -73.5 | 179.7 | 176 | 0 | 0 | 111.5 | V423 E430 A431 | V423-E427 WeakPolarHBondContact O-CG 3.29Å; V423-E427 PolarHBondContact O-N 3.35Å; E427-E430 PolarHBondContact O-N 3Å; E427-A431 VanDerWaalsContact O-CB 3.27Å; E427-A431 WeakPolarHBondContact O-CB 3.42Å; E427-A431 PolarHBondContact O-N 3.11Å |
| 428 | F | 67.8 | Low | 62.8 | Low | 19.5 Ų | 19.5 | 70.5 Ų | 70.5 | 9% | 0.086 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 175.5 | 177.2 | -101.7 | 0 | 0 | 0 | 112.6 | L368 L372 S424 V425 K426 A431 H432 I456 | L368-F428 HydrophobicContact CB-CB 4.18Å; L368-F428 HydrophobicContact CB-CD2 3.75Å; L368-F428 HydrophobicContact CB-CE2 4.39Å; L368-F428 HydrophobicContact CB-CG 4.08Å; L368-F428 HydrophobicContact CD2-CB 3.95Å; L368-F428 HydrophobicContact CD2-CD1 3.79Å; L368-F428 HydrophobicContact CD2-CD2 3.98Å; L368-F428 HydrophobicContact CD2-CE1 4.26Å; L368-F428 HydrophobicContact CD2-CE2 4.44Å; L368-F428 HydrophobicContact CD2-CG 3.63Å; L368-F428 HydrophobicContact CG-CG 4.46Å; L372-F428 HydrophobicContact CG-CE2 4.38Å; S424-F428 VanDerWaalsContact O-CB 3.25Å; S424-F428 WeakPolarHBondContact O-CB 3.43Å; S424-F428 PolarHBondContact O-N 3.15Å; V425-F428 PolarHBondContact O-N 2.97Å; K426-F428 VanDerWaalsContact C-N 3.3Å; K426-F428 PolarHBondContact O-N 3.42Å; F428-A431 PolarHBondContact O-N 3.31Å; F428-H432 AromaticContact CD2-CD2 3.98Å; F428-H432 AromaticContact CE2-CD2 3.81Å; F428-H432 AromaticContact CE2-NE2 3.97Å; F428-H432 PolarHBondContact O-CD2 3.14Å; F428-H432 PolarHBondContact O-N 2.91Å; F428-I456 HydrophobicContact CE1-CD1 3.86Å; F428-I456 HydrophobicContact CE1-CG1 4.36Å; F428-I456 HydrophobicContact CE1-CG2 4.23Å; F428-I456 HydrophobicContact CZ-CD1 3.78Å; F428-I456 HydrophobicContact CZ-CG1 4.44Å |
| 429 | L | 67.5 | Low | 62.2 | Low | 9 Ų | 9 | 69.8 Ų | 69.8 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 177.9 | -70.5 | 173.6 | 0 | 0 | 0 | 112.4 | V425 K426 H432 I456 L460 I473 L476 | V425-L429 HydrophobicContact CG1-CD1 4.02Å; V425-L429 HydrophobicContact CG1-CG 4.39Å; V425-L429 VanDerWaalsContact O-CG 3.28Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3.1Å; K426-L429 PolarHBondContact O-N 3.25Å; L429-H432 CarbonylContact O-C 3.43Å; L429-H432 PolarHBondContact O-N 2.89Å; L429-I456 HydrophobicContact CD2-CG2 4.27Å; L429-L460 HydrophobicContact CD1-CD2 4.18Å; L429-L460 HydrophobicContact CD2-CD1 3.95Å; L429-L460 HydrophobicContact CD2-CD2 3.88Å; L429-L460 HydrophobicContact CD2-CG 4.35Å; L429-I473 HydrophobicContact CD1-CG1 4.09Å; L429-L476 HydrophobicContact CB-CD1 4.16Å |
| 430 | E | 69.1 | Low | 61.8 | Low | 108 Ų | 108 | 74.1 Ų | 74.1 | 51% | 0.505 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.2 | -31.7 | 178.1 | -72.8 | 179.7 | -179.5 | 0 | 0 | 112.5 | K426 E427 H432 | K426-E430 WeakPolarHBondContact CE-OE1 3.33Å; K426-E430 HydrophobicContact CG-CG 4.5Å; K426-E430 IonicContact NZ-OE1 2.87Å; K426-E430 WeakPolarHBondContact O-CG 3.45Å; K426-E430 PolarHBondContact O-N 3.19Å; E427-E430 PolarHBondContact O-N 3Å; E430-H432 VanDerWaalsContact C-N 3.3Å; E430-H432 PolarHBondContact O-N 3Å |
| 431 | A | 66.2 | Low | 61.3 | Low | 74 Ų | 74 | 79.9 Ų | 79.9 | 61% | 0.612 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69.6 | -27.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E427 F428 | E427-A431 VanDerWaalsContact O-CB 3.27Å; E427-A431 WeakPolarHBondContact O-CB 3.42Å; E427-A431 PolarHBondContact O-N 3.11Å; F428-A431 PolarHBondContact O-N 3.31Å |
| 432 | H | 61.3 | Low | 60.6 | Low | 57.5 Ų | 57.5 | 75.6 Ų | 75.6 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | trans | -111 | 79.6 | -177.1 | -74.5 | -70.8 | 0 | 0 | 0 | 111.3 | L372 F428 L429 E430 F453 | L372-H432 VanDerWaalsContact CD1-NE2 3.35Å; L372-H432 WeakPolarHBondContact CD1-NE2 3.42Å; F428-H432 AromaticContact CD2-CD2 3.98Å; F428-H432 AromaticContact CE2-CD2 3.81Å; F428-H432 AromaticContact CE2-NE2 3.97Å; F428-H432 PolarHBondContact O-CD2 3.14Å; F428-H432 PolarHBondContact O-N 2.91Å; L429-H432 CarbonylContact O-C 3.43Å; L429-H432 PolarHBondContact O-N 2.89Å; E430-H432 VanDerWaalsContact C-N 3.3Å; E430-H432 PolarHBondContact O-N 3Å; H432-F453 HydrophobicContact CB-CE1 4.01Å; H432-F453 HydrophobicContact CB-CZ 3.98Å; H432-F453 WeakPolarHBondContact O-CE1 3.38Å; H432-F453 VanDerWaalsContact O-CZ 3.29Å; H432-F453 WeakPolarHBondContact O-CZ 3.46Å | ||
| 433 | V | 60 | Low | 60.1 | Low | 67 Ų | 67 | 75.4 Ų | 75.4 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | trans | -97.6 | 129.5 | 167.9 | -178.5 | 0 | 0 | 0 | 0 | 109 | K435 L476 | V433-K435 PolarHBondContact O-N 2.89Å; V433-L476 HydrophobicContact CB-CD2 4.32Å; V433-L476 HydrophobicContact CG1-CD2 3.92Å; V433-L476 HydrophobicContact CG2-CD2 4.01Å | ||
| 434 | V | 57 | Low | 59.6 | Low | 25 Ų | 25 | 75.6 Ų | 75.6 | 15% | 0.152 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 109.1 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 109 | N436 P437 F453 W457 | V434-N436 PolarHBondContact O-N 2.82Å; V434-P437 HydrophobicContact CG1-CB 4.03Å; V434-P437 HydrophobicContact CG1-CG 4.35Å; V434-F453 HydrophobicContact CB-CE2 4.35Å; V434-F453 HydrophobicContact CG2-CD1 3.95Å; V434-F453 HydrophobicContact CG2-CD2 3.69Å; V434-F453 HydrophobicContact CG2-CE1 3.94Å; V434-F453 HydrophobicContact CG2-CE2 3.68Å; V434-F453 HydrophobicContact CG2-CG 3.85Å; V434-F453 HydrophobicContact CG2-CZ 3.79Å; V434-W457 HydrophobicContact CG2-CH2 3.48Å; V434-W457 VanDerWaalsContact CG2-CH2 3.48Å; V434-W457 HydrophobicContact CG2-CZ3 4.04Å |
| 435 | K | 55.9 | Low | 59.2 | Low | 156 Ų | 156 | 80.4 Ų | 80.4 | 68% | 0.678 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 110.2 | 175.3 | -67.4 | 177.5 | -174.1 | 158.7 | 0 | 108.9 | V433 P437 E449 | V433-K435 PolarHBondContact O-N 2.89Å; K435-P437 WeakPolarHBondContact O-CD 3.37Å; K435-E449 IonicContact NZ-OE1 2.9Å; K435-E449 PolarHBondContact NZ-OE1 3.35Å |
| 436 | N | 54 | Low | 59 | Low | 121.5 Ų | 121.5 | 81.8 Ų | 81.8 | 65% | 0.65 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -3.6 | 111.4 | 175.4 | -83.4 | -11.5 | 0 | 0 | 0 | 112.6 | V434 V438 G483 | V434-N436 PolarHBondContact O-N 2.82Å; N436-V438 HydrophobicContact CB-CG2 4.47Å; N436-V438 PolarHBondContact O-N 3.14Å; N436-G483 WeakPolarHBondContact OD1-CA 3.15Å |
| 437 | P | 51.5 | Low | 58.6 | Low | 26.5 Ų | 26.5 | 77.9 Ų | 77.9 | 17% | 0.172 | 42% | 0.421 | C | S | . | . | trans | -71.7 | 55 | 172.4 | 28.4 | -31.8 | 0 | 0 | 0 | 111.7 | V434 K435 C439 W450 V484 Y487 | V434-P437 HydrophobicContact CG1-CB 4.03Å; V434-P437 HydrophobicContact CG1-CG 4.35Å; K435-P437 WeakPolarHBondContact O-CD 3.37Å; P437-C439 VanDerWaalsContact C-N 3.32Å; P437-W450 HydrophobicContact CB-CH2 4.3Å; P437-W450 HydrophobicContact CB-CZ2 3.74Å; P437-W450 HydrophobicContact CG-CH2 4.32Å; P437-W450 HydrophobicContact CG-CZ2 3.93Å; P437-W450 WeakPolarHBondContact O-CZ2 3.28Å; P437-V484 HydrophobicContact CB-CG2 4.29Å; P437-V484 HydrophobicContact CG-CG2 4.25Å; P437-Y487 HydrophobicContact CB-CD2 4.21Å; P437-Y487 HydrophobicContact CB-CE2 4.42Å; P437-Y487 HydrophobicContact CG-CD1 4.48Å; P437-Y487 HydrophobicContact CG-CD2 3.53Å; P437-Y487 HydrophobicContact CG-CE2 4.11Å; P437-Y487 HydrophobicContact CG-CG 3.77Å | ||
| 438 | V | 49.4 | Very low | 58.4 | Low | 106.5 Ų | 106.5 | 75.5 Ų | 75.5 | 65% | 0.645 | 41% | 0.408 | S | S | * | . | trans | -106 | 25.8 | -171.9 | -173.4 | 0 | 0 | 0 | 0 | 112 | N436 Y487 | N436-V438 HydrophobicContact CB-CG2 4.47Å; N436-V438 PolarHBondContact O-N 3.14Å; V438-Y487 HydrophobicContact CG1-CD2 3.78Å; V438-Y487 HydrophobicContact CG1-CE2 4.44Å; V438-Y487 HydrophobicContact CG2-CD2 4.43Å | ||
| 439 | C | 50.3 | Low | 58.3 | Low | 89.5 Ų | 89.5 | 78.2 Ų | 78.2 | 61% | 0.605 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -126.7 | 140.6 | 172.3 | -112.6 | 0 | 0 | 0 | 0 | 110.9 | P437 D441 | P437-C439 VanDerWaalsContact C-N 3.32Å; C439-D441 PolarHBondContact O-N 3.45Å |
| 440 | D | 51.4 | Low | 58.3 | Low | 128 Ų | 128 | 78.5 Ų | 78.5 | 68% | 0.684 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -62.9 | -17.4 | 177.9 | -81.2 | -39.9 | 0 | 0 | 0 | 113.3 | I442 K505 | D440-I442 VanDerWaalsContact C-N 3.34Å; D440-I442 PolarHBondContact O-N 3.28Å; D440-I442 VanDerWaalsContact O-N 3.13Å; D440-K505 IonicContact OD1-NZ 2.7Å |
| 441 | D | 52 | Low | 58.2 | Low | 148 Ų | 148 | 73.5 Ų | 73.5 | 79% | 0.791 | 40% | 0.399 | S | S | * | . | trans | -85.1 | 74.8 | 174.2 | -69.6 | -28.8 | 0 | 0 | 0 | 110.8 | C439 S443 | C439-D441 PolarHBondContact O-N 3.45Å; D441-S443 PolarHBondContact O-N 3.31Å | ||
| 442 | I | 51.7 | Low | 58.2 | Low | 41 Ų | 41 | 70.8 Ų | 70.8 | 21% | 0.21 | 37% | 0.374 | C | S | . | . | trans | -70 | 107.1 | 177 | -59.6 | 158.2 | 0 | 0 | 0 | 108.6 | D440 T446 T447 Y487 T508 | D440-I442 VanDerWaalsContact C-N 3.34Å; D440-I442 PolarHBondContact O-N 3.28Å; D440-I442 VanDerWaalsContact O-N 3.13Å; I442-T446 WeakPolarHBondContact CG2-OG1 3.3Å; I442-T447 HydrophobicContact CG2-CG2 3.99Å; I442-Y487 HydrophobicContact CD1-CE2 3.87Å; I442-Y487 WeakPolarHBondContact CD1-OH 3.47Å; I442-T508 HydrophobicContact CB-CG2 4.45Å; I442-T508 HydrophobicContact CD1-CG2 3.62Å; I442-T508 HydrophobicContact CG1-CG2 3.84Å; I442-T508 HydrophobicContact CG2-CG2 3.99Å | ||
| 443 | S | 57 | Low | 58.6 | Low | 53.5 Ų | 53.5 | 68.7 Ų | 68.7 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | trans | -75.9 | 151.3 | 173.1 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | D441 E445 T446 | D441-S443 PolarHBondContact O-N 3.31Å; S443-E445 PolarHBondContact O-N 3.13Å; S443-E445 VanDerWaalsContact O-N 3.11Å; S443-T446 PolarHBondContact N-OG1 3.33Å; S443-T446 PolarHBondContact O-N 3.3Å; S443-T446 PolarHBondContact O-OG1 3.09Å | ||
| 444 | Q | 57.1 | Low | 59.1 | Low | 102 Ų | 102 | 66.3 Ų | 66.3 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -52.4 | -28.3 | 173.8 | -72.8 | 178.9 | -26.8 | 0 | 0 | 112.7 | E387 T447 K448 | E387-Q444 PolarHBondContact OE1-NE2 2.65Å; Q444-T447 WeakPolarHBondContact CA-OG1 3.42Å; Q444-T447 PolarHBondContact O-OG1 3.16Å; Q444-K448 WeakPolarHBondContact O-CG 3.46Å; Q444-K448 PolarHBondContact O-N 3.24Å; Q444-K448 VanDerWaalsContact O-N 3.1Å |
| 445 | E | 58.3 | Low | 59.8 | Low | 139 Ų | 139 | 65.7 Ų | 65.7 | 65% | 0.65 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 175.6 | -66.2 | 179.4 | 163.8 | 0 | 0 | 112.1 | S443 T447 K448 E449 | S443-E445 PolarHBondContact O-N 3.13Å; S443-E445 VanDerWaalsContact O-N 3.11Å; E445-T447 VanDerWaalsContact C-N 3.35Å; E445-T447 PolarHBondContact O-N 3.44Å; E445-K448 WeakPolarHBondContact O-CB 3.28Å; E445-K448 PolarHBondContact O-N 3.3Å; E445-E449 WeakPolarHBondContact O-CG 3.3Å; E445-E449 PolarHBondContact O-N 3.24Å |
| 446 | T | 62.8 | Low | 60.4 | Low | 30.5 Ų | 30.5 | 58.6 Ų | 58.6 | 19% | 0.187 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -39.3 | 179.3 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | I442 S443 K448 E449 W450 | I442-T446 WeakPolarHBondContact CG2-OG1 3.3Å; S443-T446 PolarHBondContact N-OG1 3.33Å; S443-T446 PolarHBondContact O-N 3.3Å; S443-T446 PolarHBondContact O-OG1 3.09Å; T446-K448 PolarHBondContact O-N 3.04Å; T446-E449 WeakPolarHBondContact O-CB 3.34Å; T446-E449 PolarHBondContact O-N 3.25Å; T446-W450 VanDerWaalsContact O-CD1 3.27Å; T446-W450 PolarHBondContact O-N 2.9Å |
| 447 | T | 62.4 | Low | 61.1 | Low | 8.5 Ų | 8.5 | 53.2 Ų | 53.2 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 175.2 | 38.3 | 0 | 0 | 0 | 0 | 112.7 | I442 Q444 E445 E449 W450 I451 T508 | I442-T447 HydrophobicContact CG2-CG2 3.99Å; Q444-T447 WeakPolarHBondContact CA-OG1 3.42Å; Q444-T447 PolarHBondContact O-OG1 3.16Å; E445-T447 VanDerWaalsContact C-N 3.35Å; E445-T447 PolarHBondContact O-N 3.44Å; T447-E449 VanDerWaalsContact C-N 3.35Å; T447-W450 PolarHBondContact O-N 3.37Å; T447-I451 VanDerWaalsContact O-CG1 3.3Å; T447-I451 WeakPolarHBondContact O-CG1 3.34Å; T447-I451 PolarHBondContact O-N 3.08Å; T447-T508 HydrophobicContact CG2-CG2 3.72Å |
| 448 | K | 63.9 | Low | 61.9 | Low | 75.5 Ų | 75.5 | 52.2 Ų | 52.2 | 33% | 0.328 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 174.4 | -73.1 | -178.2 | -175.8 | -173.6 | 0 | 110.9 | T383 Q444 E445 T446 W450 I451 V452 | T383-K448 HydrophobicContact CG2-CD 4.06Å; T383-K448 HydrophobicContact CG2-CG 3.6Å; Q444-K448 WeakPolarHBondContact O-CG 3.46Å; Q444-K448 PolarHBondContact O-N 3.24Å; Q444-K448 VanDerWaalsContact O-N 3.1Å; E445-K448 WeakPolarHBondContact O-CB 3.28Å; E445-K448 PolarHBondContact O-N 3.3Å; T446-K448 PolarHBondContact O-N 3.04Å; K448-W450 VanDerWaalsContact C-N 3.35Å; K448-W450 PolarHBondContact O-N 3.21Å; K448-I451 PolarHBondContact O-N 3.39Å; K448-V452 WeakPolarHBondContact O-CG2 3.38Å; K448-V452 PolarHBondContact O-N 2.91Å; K448-V452 VanDerWaalsContact O-N 3.13Å |
| 449 | E | 65.6 | Low | 62.7 | Low | 75.5 Ų | 75.5 | 47.1 Ų | 47.1 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 175.5 | -72.9 | 178.4 | 178.8 | 0 | 0 | 110.9 | K435 E445 T446 T447 I451 V452 F453 | K435-E449 IonicContact NZ-OE1 2.9Å; K435-E449 PolarHBondContact NZ-OE1 3.35Å; E445-E449 WeakPolarHBondContact O-CG 3.3Å; E445-E449 PolarHBondContact O-N 3.24Å; T446-E449 WeakPolarHBondContact O-CB 3.34Å; T446-E449 PolarHBondContact O-N 3.25Å; T447-E449 VanDerWaalsContact C-N 3.35Å; E449-I451 PolarHBondContact O-N 3.15Å; E449-V452 PolarHBondContact O-N 2.79Å; E449-F453 VanDerWaalsContact C-CD2 3.48Å; E449-F453 HydrophobicContact CB-CD2 4.26Å; E449-F453 HydrophobicContact CB-CE2 3.96Å; E449-F453 WeakPolarHBondContact O-CB 3.35Å; E449-F453 WeakPolarHBondContact O-CD2 3.46Å; E449-F453 WeakPolarHBondContact O-CG 3.49Å; E449-F453 PolarHBondContact O-N 3.13Å |
| 450 | W | 67.8 | Low | 63.6 | Low | 15 Ų | 15 | 43.2 Ų | 43.2 | 6% | 0.057 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | -179.3 | -74.3 | 28.4 | 0 | 0 | 0 | 113.1 | P437 T446 T447 K448 F453 I454 V484 Y487 T508 F511 L515 | P437-W450 HydrophobicContact CB-CH2 4.3Å; P437-W450 HydrophobicContact CB-CZ2 3.74Å; P437-W450 HydrophobicContact CG-CH2 4.32Å; P437-W450 HydrophobicContact CG-CZ2 3.93Å; P437-W450 WeakPolarHBondContact O-CZ2 3.28Å; T446-W450 VanDerWaalsContact O-CD1 3.27Å; T446-W450 PolarHBondContact O-N 2.9Å; T447-W450 PolarHBondContact O-N 3.37Å; K448-W450 VanDerWaalsContact C-N 3.35Å; K448-W450 PolarHBondContact O-N 3.21Å; W450-F453 PolarHBondContact O-N 2.9Å; W450-I454 WeakPolarHBondContact O-CB 3.36Å; W450-I454 WeakPolarHBondContact O-CD1 3.31Å; W450-I454 VanDerWaalsContact O-CG1 3.22Å; W450-I454 WeakPolarHBondContact O-CG1 3.45Å; W450-I454 PolarHBondContact O-N 3.06Å; W450-V484 HydrophobicContact CZ2-CG2 4.22Å; W450-Y487 AromaticContact CH2-CD1 3.91Å; W450-Y487 HydrophobicContact CH2-CD1 3.91Å; W450-Y487 HydrophobicContact CH2-CE1 4.12Å; W450-T508 WeakPolarHBondContact CZ3-O 3.4Å; W450-F511 HydrophobicContact CE3-CB 3.8Å; W450-F511 HydrophobicContact CZ3-CB 4.15Å; W450-L515 HydrophobicContact CB-CD1 3.88Å; W450-L515 HydrophobicContact CG-CD1 3.93Å |
| 451 | I | 66.7 | Low | 64.1 | Low | 4.5 Ų | 4.5 | 37.8 Ų | 37.8 | 2% | 0.023 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 176.7 | -66.2 | 164.3 | 0 | 0 | 0 | 110.9 | V382 T447 K448 E449 F453 I454 R455 F511 | V382-I451 HydrophobicContact CG1-CD1 3.88Å; T447-I451 VanDerWaalsContact O-CG1 3.3Å; T447-I451 WeakPolarHBondContact O-CG1 3.34Å; T447-I451 PolarHBondContact O-N 3.08Å; K448-I451 PolarHBondContact O-N 3.39Å; E449-I451 PolarHBondContact O-N 3.15Å; I451-F453 VanDerWaalsContact C-N 3.31Å; I451-F453 PolarHBondContact O-N 3.14Å; I451-I454 PolarHBondContact O-N 2.97Å; I451-R455 WeakPolarHBondContact O-CG 3.29Å; I451-R455 PolarHBondContact O-N 3.13Å; I451-R455 VanDerWaalsContact O-N 3.11Å; I451-F511 HydrophobicContact CD1-CD1 4.31Å; I451-F511 HydrophobicContact CD1-CE1 3.99Å; I451-F511 HydrophobicContact CD1-CE2 3.96Å; I451-F511 HydrophobicContact CD1-CZ 3.75Å; I451-F511 HydrophobicContact CG1-CD1 4Å; I451-F511 HydrophobicContact CG1-CD2 4.46Å; I451-F511 HydrophobicContact CG1-CE1 3.47Å; I451-F511 VanDerWaalsContact CG1-CE1 3.4Å; I451-F511 HydrophobicContact CG1-CE2 4.29Å; I451-F511 HydrophobicContact CG1-CG 4.17Å; I451-F511 HydrophobicContact CG1-CZ 3.75Å |
| 452 | V | 66.9 | Low | 64.6 | Low | 16 Ų | 16 | 33.7 Ų | 33.7 | 10% | 0.097 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | L372 I375 K448 E449 R455 I456 | L372-V452 HydrophobicContact CD2-CG1 4.01Å; I375-V452 HydrophobicContact CG2-CB 4.4Å; I375-V452 HydrophobicContact CG2-CG1 4.19Å; I375-V452 HydrophobicContact CG2-CG2 4.11Å; K448-V452 WeakPolarHBondContact O-CG2 3.38Å; K448-V452 PolarHBondContact O-N 2.91Å; K448-V452 VanDerWaalsContact O-N 3.13Å; E449-V452 PolarHBondContact O-N 2.79Å; V452-R455 PolarHBondContact O-N 3.08Å; V452-I456 HydrophobicContact CG1-CD1 3.66Å; V452-I456 HydrophobicContact CG1-CG1 4.43Å; V452-I456 VanDerWaalsContact O-CG1 3.31Å; V452-I456 WeakPolarHBondContact O-CG1 3.41Å; V452-I456 PolarHBondContact O-N 3.28Å |
| 453 | F | 69.2 | Low | 64.9 | Low | 13 Ų | 13 | 32.2 Ų | 32.2 | 6% | 0.057 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 177.6 | -85.1 | -61 | 0 | 0 | 0 | 113.2 | H432 V434 E449 W450 I451 R455 I456 W457 L515 | H432-F453 HydrophobicContact CB-CE1 4.01Å; H432-F453 HydrophobicContact CB-CZ 3.98Å; H432-F453 WeakPolarHBondContact O-CE1 3.38Å; H432-F453 VanDerWaalsContact O-CZ 3.29Å; H432-F453 WeakPolarHBondContact O-CZ 3.46Å; V434-F453 HydrophobicContact CB-CE2 4.35Å; V434-F453 HydrophobicContact CG2-CD1 3.95Å; V434-F453 HydrophobicContact CG2-CD2 3.69Å; V434-F453 HydrophobicContact CG2-CE1 3.94Å; V434-F453 HydrophobicContact CG2-CE2 3.68Å; V434-F453 HydrophobicContact CG2-CG 3.85Å; V434-F453 HydrophobicContact CG2-CZ 3.79Å; E449-F453 VanDerWaalsContact C-CD2 3.48Å; E449-F453 HydrophobicContact CB-CD2 4.26Å; E449-F453 HydrophobicContact CB-CE2 3.96Å; E449-F453 WeakPolarHBondContact O-CB 3.35Å; E449-F453 WeakPolarHBondContact O-CD2 3.46Å; E449-F453 WeakPolarHBondContact O-CG 3.49Å; E449-F453 PolarHBondContact O-N 3.13Å; W450-F453 PolarHBondContact O-N 2.9Å; I451-F453 VanDerWaalsContact C-N 3.31Å; I451-F453 PolarHBondContact O-N 3.14Å; F453-R455 VanDerWaalsContact C-N 3.28Å; F453-R455 PolarHBondContact O-N 3.19Å; F453-I456 PolarHBondContact O-N 3.18Å; F453-W457 HydrophobicContact CB-CE3 3.71Å; F453-W457 HydrophobicContact CB-CH2 4.16Å; F453-W457 HydrophobicContact CB-CZ3 3.43Å; F453-W457 VanDerWaalsContact CB-CZ3 3.43Å; F453-W457 HydrophobicContact CD1-CD2 4.5Å; F453-W457 HydrophobicContact CD1-CE3 4.14Å; F453-W457 AromaticContact CD1-CH2 3.49Å; F453-W457 HydrophobicContact CD1-CH2 3.49Å; F453-W457 VanDerWaalsContact CD1-CH2 3.49Å; F453-W457 AromaticContact CD1-CZ2 3.88Å; F453-W457 HydrophobicContact CD1-CZ2 3.88Å; F453-W457 AromaticContact CD1-CZ3 3.65Å; F453-W457 HydrophobicContact CD1-CZ3 4Å; F453-W457 HydrophobicContact CE1-CH2 4.08Å; F453-W457 HydrophobicContact CE1-CZ2 4.3Å; F453-W457 HydrophobicContact CG-CE3 4.33Å; F453-W457 AromaticContact CG-CH2 3.96Å; F453-W457 HydrophobicContact CG-CH2 3.96Å; F453-W457 AromaticContact CG-CZ3 3.75Å; F453-W457 HydrophobicContact CG-CZ3 3.75Å; F453-W457 WeakPolarHBondContact O-CB 3Å; F453-W457 VanDerWaalsContact O-CE3 3.27Å; F453-W457 PolarHBondContact O-N 3.21Å; F453-L515 HydrophobicContact CB-CD1 3.91Å |
| 454 | I | 69.9 | Low | 64.8 | Low | 18 Ų | 18 | 33.3 Ų | 33.3 | 9% | 0.092 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.4 | -44.8 | 176.1 | -73 | 162 | 0 | 0 | 0 | 110.4 | W450 I451 S458 F511 R514 L515 N518 | W450-I454 WeakPolarHBondContact O-CB 3.36Å; W450-I454 WeakPolarHBondContact O-CD1 3.31Å; W450-I454 VanDerWaalsContact O-CG1 3.22Å; W450-I454 WeakPolarHBondContact O-CG1 3.45Å; W450-I454 PolarHBondContact O-N 3.06Å; I451-I454 PolarHBondContact O-N 2.97Å; I454-S458 VanDerWaalsContact O-CB 3.32Å; I454-S458 WeakPolarHBondContact O-CB 3.49Å; I454-S458 PolarHBondContact O-N 3.01Å; I454-F511 HydrophobicContact CD1-CB 4.03Å; I454-F511 HydrophobicContact CD1-CD1 3.7Å; I454-F511 HydrophobicContact CD1-CG 4.34Å; I454-F511 WeakPolarHBondContact CD1-O 3.12Å; I454-R514 HydrophobicContact CD1-CB 4.08Å; I454-R514 HydrophobicContact CD1-CG 4.29Å; I454-R514 HydrophobicContact CG1-CB 4.46Å; I454-R514 HydrophobicContact CG1-CG 4.43Å; I454-R514 HydrophobicContact CG2-CG 3.75Å; I454-L515 HydrophobicContact CD1-CB 4.22Å; I454-L515 HydrophobicContact CG1-CB 4Å; I454-L515 HydrophobicContact CG1-CD1 4.21Å; I454-L515 HydrophobicContact CG1-CG 4.29Å; I454-N518 PolarHBondContact O-ND2 3.19Å |
| 455 | R | 71.2 | Confident | 64.7 | Low | 12 Ų | 12 | 32.3 Ų | 32.3 | 5% | 0.045 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 178.1 | -71 | 177.4 | 177.6 | 163.1 | 4.5 | 111.5 | I375 D379 I413 I451 V452 F453 W457 S458 G459 | I375-R455 HydrophobicContact CG2-CB 4.36Å; I375-R455 PolarHBondContact O-NH1 2.89Å; D379-R455 IonicContact OD1-CZ 3.37Å; D379-R455 IonicContact OD1-NH1 2.91Å; D379-R455 PolarHBondContact OD1-NH1 3.49Å; D379-R455 IonicContact OD1-NH2 3.68Å; D379-R455 PolarHBondContact OD1-NH2 3.17Å; D379-R455 IonicContact OD2-NH1 3.84Å; I413-R455 HydrophobicContact CD1-CB 3.89Å; I413-R455 WeakPolarHBondContact CD1-O 3.4Å; I451-R455 WeakPolarHBondContact O-CG 3.29Å; I451-R455 PolarHBondContact O-N 3.13Å; I451-R455 VanDerWaalsContact O-N 3.11Å; V452-R455 PolarHBondContact O-N 3.08Å; F453-R455 VanDerWaalsContact C-N 3.28Å; F453-R455 PolarHBondContact O-N 3.19Å; R455-W457 PolarHBondContact O-N 3.43Å; R455-S458 PolarHBondContact O-N 3.2Å; R455-S458 PolarHBondContact O-OG 3.27Å; R455-G459 PolarHBondContact O-N 3.14Å |
| 456 | I | 68.4 | Low | 64.7 | Low | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.4 | -49.3 | 177.9 | -67 | 164.8 | 0 | 0 | 0 | 110.8 | I375 F428 L429 V452 F453 S458 G459 L460 | I375-I456 HydrophobicContact CD1-CG1 4.4Å; F428-I456 HydrophobicContact CE1-CD1 3.86Å; F428-I456 HydrophobicContact CE1-CG1 4.36Å; F428-I456 HydrophobicContact CE1-CG2 4.23Å; F428-I456 HydrophobicContact CZ-CD1 3.78Å; F428-I456 HydrophobicContact CZ-CG1 4.44Å; L429-I456 HydrophobicContact CD2-CG2 4.27Å; V452-I456 HydrophobicContact CG1-CD1 3.66Å; V452-I456 HydrophobicContact CG1-CG1 4.43Å; V452-I456 VanDerWaalsContact O-CG1 3.31Å; V452-I456 WeakPolarHBondContact O-CG1 3.41Å; V452-I456 PolarHBondContact O-N 3.28Å; F453-I456 PolarHBondContact O-N 3.18Å; I456-S458 VanDerWaalsContact C-N 3.3Å; I456-S458 PolarHBondContact O-N 3.02Å; I456-G459 PolarHBondContact O-N 2.93Å; I456-G459 VanDerWaalsContact O-N 3.14Å; I456-L460 HydrophobicContact CG2-CD1 3.94Å; I456-L460 HydrophobicContact CG2-CG 4.35Å; I456-L460 WeakPolarHBondContact O-CG 3.39Å; I456-L460 PolarHBondContact O-N 3.33Å |
| 457 | W | 69.1 | Low | 64.4 | Low | 8.5 Ų | 8.5 | 32.9 Ų | 32.9 | 3% | 0.032 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -35.1 | -179.7 | -101.5 | -71.9 | 0 | 0 | 0 | 113.1 | V434 F453 R455 G459 L460 S461 L476 S480 L515 N518 T522 | V434-W457 HydrophobicContact CG2-CH2 3.48Å; V434-W457 VanDerWaalsContact CG2-CH2 3.48Å; V434-W457 HydrophobicContact CG2-CZ3 4.04Å; F453-W457 HydrophobicContact CB-CE3 3.71Å; F453-W457 HydrophobicContact CB-CH2 4.16Å; F453-W457 HydrophobicContact CB-CZ3 3.43Å; F453-W457 VanDerWaalsContact CB-CZ3 3.43Å; F453-W457 HydrophobicContact CD1-CD2 4.5Å; F453-W457 HydrophobicContact CD1-CE3 4.14Å; F453-W457 AromaticContact CD1-CH2 3.49Å; F453-W457 HydrophobicContact CD1-CH2 3.49Å; F453-W457 VanDerWaalsContact CD1-CH2 3.49Å; F453-W457 AromaticContact CD1-CZ2 3.88Å; F453-W457 HydrophobicContact CD1-CZ2 3.88Å; F453-W457 AromaticContact CD1-CZ3 3.65Å; F453-W457 HydrophobicContact CD1-CZ3 4Å; F453-W457 HydrophobicContact CE1-CH2 4.08Å; F453-W457 HydrophobicContact CE1-CZ2 4.3Å; F453-W457 HydrophobicContact CG-CE3 4.33Å; F453-W457 AromaticContact CG-CH2 3.96Å; F453-W457 HydrophobicContact CG-CH2 3.96Å; F453-W457 AromaticContact CG-CZ3 3.75Å; F453-W457 HydrophobicContact CG-CZ3 3.75Å; F453-W457 WeakPolarHBondContact O-CB 3Å; F453-W457 VanDerWaalsContact O-CE3 3.27Å; F453-W457 PolarHBondContact O-N 3.21Å; R455-W457 PolarHBondContact O-N 3.43Å; W457-G459 VanDerWaalsContact C-N 3.32Å; W457-G459 PolarHBondContact O-N 3.1Å; W457-L460 HydrophobicContact CD2-CD1 4.35Å; W457-L460 HydrophobicContact CE3-CD1 4.4Å; W457-L460 PolarHBondContact O-N 3.14Å; W457-S461 PolarHBondContact O-N 3.04Å; W457-S461 VanDerWaalsContact O-N 3.15Å; W457-L476 HydrophobicContact CH2-CB 3.91Å; W457-L476 HydrophobicContact CZ2-CB 3.99Å; W457-S480 WeakPolarHBondContact CH2-OG 3.45Å; W457-L515 HydrophobicContact CE3-CD1 4.39Å; W457-L515 HydrophobicContact CE3-CG 4.08Å; W457-L515 HydrophobicContact CZ3-CD1 3.77Å; W457-L515 HydrophobicContact CZ3-CD2 3.86Å; W457-L515 HydrophobicContact CZ3-CG 3.66Å; W457-N518 HydrophobicContact CB-CB 4.03Å; W457-T522 HydrophobicContact CB-CG2 4.19Å; W457-T522 HydrophobicContact CG-CG2 4.39Å; W457-T522 PolarHBondContact NE1-OG1 3.21Å; W457-T522 WeakPolarHBondContact O-CG2 3.38Å |
| 458 | S | 68.3 | Low | 64.5 | Low | 5.5 Ų | 5.5 | 39.5 Ų | 39.5 | 4% | 0.038 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 173.6 | 77.2 | 0 | 0 | 0 | 0 | 111.2 | K410 I454 R455 I456 L460 S461 | K410-S458 VanDerWaalsContact CE-O 3.31Å; K410-S458 WeakPolarHBondContact CE-O 3.42Å; K410-S458 WeakPolarHBondContact CG-O 3.35Å; I454-S458 VanDerWaalsContact O-CB 3.32Å; I454-S458 WeakPolarHBondContact O-CB 3.49Å; I454-S458 PolarHBondContact O-N 3.01Å; R455-S458 PolarHBondContact O-N 3.2Å; R455-S458 PolarHBondContact O-OG 3.27Å; I456-S458 VanDerWaalsContact C-N 3.3Å; I456-S458 PolarHBondContact O-N 3.02Å; S458-L460 VanDerWaalsContact C-N 3.34Å; S458-L460 PolarHBondContact O-N 3.12Å; S458-S461 WeakPolarHBondContact O-CB 3.23Å; S458-S461 PolarHBondContact O-N 2.91Å; S458-S461 PolarHBondContact O-OG 3.41Å |
| 459 | G | 66.9 | Low | 64.6 | Low | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.3 | -30.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S414 R455 I456 W457 S461 D462 | S414-G459 WeakPolarHBondContact CB-O 3.35Å; R455-G459 PolarHBondContact O-N 3.14Å; I456-G459 PolarHBondContact O-N 2.93Å; I456-G459 VanDerWaalsContact O-N 3.14Å; W457-G459 VanDerWaalsContact C-N 3.32Å; W457-G459 PolarHBondContact O-N 3.1Å; G459-S461 VanDerWaalsContact C-N 3.27Å; G459-S461 PolarHBondContact O-N 3.27Å; G459-D462 PolarHBondContact O-N 3.39Å |
| 460 | L | 68.7 | Low | 64.7 | Low | 6.5 Ų | 6.5 | 35.1 Ų | 35.1 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.4 | -26.2 | 175.3 | -71.5 | 170.2 | 0 | 0 | 0 | 113.5 | L417 L429 I456 W457 S458 D462 L463 I473 T522 | L417-L460 HydrophobicContact CD1-CD2 3.93Å; L417-L460 HydrophobicContact CD1-CG 4.19Å; L429-L460 HydrophobicContact CD1-CD2 4.18Å; L429-L460 HydrophobicContact CD2-CD1 3.95Å; L429-L460 HydrophobicContact CD2-CD2 3.88Å; L429-L460 HydrophobicContact CD2-CG 4.35Å; I456-L460 HydrophobicContact CG2-CD1 3.94Å; I456-L460 HydrophobicContact CG2-CG 4.35Å; I456-L460 WeakPolarHBondContact O-CG 3.39Å; I456-L460 PolarHBondContact O-N 3.33Å; W457-L460 HydrophobicContact CD2-CD1 4.35Å; W457-L460 HydrophobicContact CE3-CD1 4.4Å; W457-L460 PolarHBondContact O-N 3.14Å; S458-L460 VanDerWaalsContact C-N 3.34Å; S458-L460 PolarHBondContact O-N 3.12Å; L460-D462 PolarHBondContact O-N 3.1Å; L460-D462 VanDerWaalsContact O-N 3.08Å; L460-L463 HydrophobicContact CD2-CD1 3.85Å; L460-L463 WeakPolarHBondContact O-CB 3.4Å; L460-L463 PolarHBondContact O-N 3.08Å; L460-L463 VanDerWaalsContact O-N 3.1Å; L460-I473 HydrophobicContact CD1-CG1 4.46Å; L460-I473 HydrophobicContact CD1-CG2 4.39Å; L460-I473 HydrophobicContact CD2-CD1 4.06Å; L460-I473 HydrophobicContact CD2-CG1 4.43Å; L460-T522 HydrophobicContact CB-CG2 4.21Å |
| 461 | S | 62.6 | Low | 64.8 | Low | 16 Ų | 16 | 40.3 Ų | 40.3 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -62.4 | -20.9 | -179.9 | 68.1 | 0 | 0 | 0 | 0 | 114.4 | K410 W457 S458 G459 I521 K613 | K410-S461 WeakPolarHBondContact CE-OG 3.37Å; K410-S461 PolarHBondContact NZ-OG 3.12Å; K410-S461 VanDerWaalsContact NZ-OG 3.11Å; W457-S461 PolarHBondContact O-N 3.04Å; W457-S461 VanDerWaalsContact O-N 3.15Å; S458-S461 WeakPolarHBondContact O-CB 3.23Å; S458-S461 PolarHBondContact O-N 2.91Å; S458-S461 PolarHBondContact O-OG 3.41Å; G459-S461 VanDerWaalsContact C-N 3.27Å; G459-S461 PolarHBondContact O-N 3.27Å; S461-I521 VanDerWaalsContact CB-CG2 3.49Å; S461-K613 PolarHBondContact O-NZ 3.01Å; S461-K613 VanDerWaalsContact O-NZ 3.11Å; S461-K613 PolarHBondContact OG-NZ 2.88Å |
| 462 | D | 61.5 | Low | 65 | Low | 62 Ų | 62 | 41.7 Ų | 41.7 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -89.1 | -14.2 | 178.4 | -63 | -18.8 | 0 | 0 | 0 | 112.7 | K410 S414 F418 G459 L460 Q464 K613 | K410-D462 VanDerWaalsContact CE-OD1 3.3Å; K410-D462 WeakPolarHBondContact CE-OD1 3.39Å; K410-D462 VanDerWaalsContact CE-OD2 3.31Å; K410-D462 WeakPolarHBondContact CE-OD2 3.26Å; K410-D462 IonicContact NZ-OD1 2.89Å; K410-D462 PolarHBondContact NZ-OD1 3.37Å; S414-D462 WeakPolarHBondContact CB-OD2 3.38Å; S414-D462 PolarHBondContact OG-OD2 3.22Å; F418-D462 HydrophobicContact CE2-CB 4.29Å; F418-D462 VanDerWaalsContact CZ-O 3.23Å; F418-D462 WeakPolarHBondContact CZ-O 3.44Å; G459-D462 PolarHBondContact O-N 3.39Å; L460-D462 PolarHBondContact O-N 3.1Å; L460-D462 VanDerWaalsContact O-N 3.08Å; D462-Q464 VanDerWaalsContact C-N 3.33Å; D462-Q464 PolarHBondContact O-N 2.99Å; D462-K613 WeakPolarHBondContact OD1-CE 3.49Å; D462-K613 IonicContact OD1-NZ 2.67Å; D462-K613 PolarHBondContact OD1-NZ 3.45Å |
| 463 | L | 59.1 | Low | 65.2 | Low | 9.5 Ų | 9.5 | 41.5 Ų | 41.5 | 5% | 0.05 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -86.6 | 35.3 | -172.2 | -80.3 | 153.8 | 0 | 0 | 0 | 113.9 | L417 F418 L460 S465 L466 | L417-L463 HydrophobicContact CB-CD1 3.57Å; L417-L463 HydrophobicContact CB-CD2 4.03Å; L417-L463 HydrophobicContact CB-CG 4.21Å; L417-L463 HydrophobicContact CD1-CD1 3.55Å; L417-L463 HydrophobicContact CG-CD1 4.18Å; F418-L463 HydrophobicContact CD1-CD2 3.85Å; F418-L463 HydrophobicContact CD2-CD2 3.91Å; F418-L463 HydrophobicContact CD2-CG 4.42Å; F418-L463 HydrophobicContact CE1-CD2 3.78Å; F418-L463 HydrophobicContact CE2-CD2 3.78Å; F418-L463 VanDerWaalsContact CE2-CD2 3.46Å; F418-L463 HydrophobicContact CE2-CG 4.12Å; F418-L463 HydrophobicContact CG-CD2 3.91Å; F418-L463 HydrophobicContact CZ-CD2 3.72Å; F418-L463 VanDerWaalsContact CZ-CD2 3.43Å; F418-L463 HydrophobicContact CZ-CG 4.29Å; L460-L463 HydrophobicContact CD2-CD1 3.85Å; L460-L463 WeakPolarHBondContact O-CB 3.4Å; L460-L463 PolarHBondContact O-N 3.08Å; L460-L463 VanDerWaalsContact O-N 3.1Å; L463-S465 VanDerWaalsContact C-N 3.29Å; L463-S465 PolarHBondContact O-N 2.98Å; L463-L466 HydrophobicContact CD1-CD1 4.5Å; L463-L466 HydrophobicContact CD2-CD1 3.65Å; L463-L466 HydrophobicContact CD2-CG 4.27Å; L463-L466 WeakPolarHBondContact O-CB 3.46Å; L463-L466 PolarHBondContact O-N 3.07Å |
| 464 | Q | 53.7 | Low | 65.2 | Low | 75.5 Ų | 75.5 | 43.2 Ų | 43.2 | 35% | 0.353 | 22% | 0.222 | S | C | . | . | trans | -65.2 | -18.8 | 174.5 | -77.9 | 177.6 | -18.3 | 0 | 0 | 113.7 | D462 L466 I521 T522 | D462-Q464 VanDerWaalsContact C-N 3.33Å; D462-Q464 PolarHBondContact O-N 2.99Å; Q464-L466 PolarHBondContact O-N 3.35Å; Q464-I521 PolarHBondContact NE2-O 3.31Å; Q464-I521 VanDerWaalsContact NE2-O 3.1Å; Q464-T522 VanDerWaalsContact NE2-CA 3.32Å; Q464-T522 PolarHBondContact NE2-O 3.33Å | ||
| 465 | S | 55.8 | Low | 65.4 | Low | 81 Ų | 81 | 49 Ų | 49 | 57% | 0.566 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -74 | -18.9 | -179.1 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | F418 L463 M467 | F418-S465 WeakPolarHBondContact CE1-OG 3.36Å; F418-S465 WeakPolarHBondContact CZ-OG 3.34Å; L463-S465 VanDerWaalsContact C-N 3.29Å; L463-S465 PolarHBondContact O-N 2.98Å; S465-M467 VanDerWaalsContact C-N 3.33Å; S465-M467 PolarHBondContact O-N 3.37Å |
| 466 | L | 57.4 | Low | 65.3 | Low | 41.5 Ų | 41.5 | 49.5 Ų | 49.5 | 22% | 0.217 | 25% | 0.25 | C | S | . | . | trans | -90.6 | 76.9 | 177.9 | -79.1 | 161.4 | 0 | 0 | 0 | 110.8 | F418 I422 L463 Q464 E468 L469 | F418-L466 HydrophobicContact CD1-CD1 3.7Å; F418-L466 HydrophobicContact CE1-CD1 3.68Å; F418-L466 HydrophobicContact CE1-CG 4.28Å; I422-L466 HydrophobicContact CD1-CD2 4.05Å; I422-L466 HydrophobicContact CG1-CD2 3.64Å; L463-L466 HydrophobicContact CD1-CD1 4.5Å; L463-L466 HydrophobicContact CD2-CD1 3.65Å; L463-L466 HydrophobicContact CD2-CG 4.27Å; L463-L466 WeakPolarHBondContact O-CB 3.46Å; L463-L466 PolarHBondContact O-N 3.07Å; Q464-L466 PolarHBondContact O-N 3.35Å; L466-E468 PolarHBondContact O-N 3.33Å; L466-L469 HydrophobicContact CD1-CD1 4.23Å; L466-L469 PolarHBondContact O-N 3.1Å | ||
| 467 | M | 57.3 | Low | 65.4 | Low | 140.5 Ų | 140.5 | 49.2 Ų | 49.2 | 69% | 0.692 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -51.4 | -30.4 | -179.4 | -71 | -69.5 | -74.6 | 0 | 0 | 113.8 | S465 L469 K470 | S465-M467 VanDerWaalsContact C-N 3.33Å; S465-M467 PolarHBondContact O-N 3.37Å; M467-L469 VanDerWaalsContact C-N 3.31Å; M467-L469 PolarHBondContact O-N 3.22Å; M467-K470 WeakPolarHBondContact O-CB 3.29Å; M467-K470 PolarHBondContact O-N 3.36Å; M467-K470 HydrophobicContact SD-CD 4.48Å |
| 468 | E | 65 | Low | 65.6 | Low | 146.5 Ų | 146.5 | 49.3 Ų | 49.3 | 69% | 0.685 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -25.6 | -177.8 | -63.9 | -174 | 175.9 | 0 | 0 | 114.5 | I422 L466 | I422-E468 WeakPolarHBondContact CD1-OE2 3.42Å; I422-E468 HydrophobicContact CG2-CB 4.43Å; L466-E468 PolarHBondContact O-N 3.33Å |
| 469 | L | 65.1 | Low | 65.7 | Low | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -6.3 | 179.5 | -68.8 | 172 | 0 | 0 | 0 | 112.9 | I422 V425 K426 L466 M467 D471 I472 I473 | I422-L469 HydrophobicContact CG2-CD1 4.25Å; I422-L469 HydrophobicContact CG2-CD2 4.09Å; I422-L469 HydrophobicContact CG2-CG 4Å; V425-L469 HydrophobicContact CB-CD1 4.17Å; V425-L469 HydrophobicContact CG1-CD1 3.72Å; V425-L469 HydrophobicContact CG1-CD2 4.44Å; K426-L469 HydrophobicContact CB-CD2 4Å; K426-L469 HydrophobicContact CD-CD2 4.43Å; K426-L469 HydrophobicContact CG-CD2 4.15Å; L466-L469 HydrophobicContact CD1-CD1 4.23Å; L466-L469 PolarHBondContact O-N 3.1Å; M467-L469 VanDerWaalsContact C-N 3.31Å; M467-L469 PolarHBondContact O-N 3.22Å; L469-D471 VanDerWaalsContact C-N 3.3Å; L469-D471 PolarHBondContact O-N 3.11Å; L469-I472 HydrophobicContact CD2-CD1 4.23Å; L469-I472 PolarHBondContact O-N 3.06Å; L469-I472 VanDerWaalsContact O-N 3.15Å; L469-I473 HydrophobicContact CB-CD1 3.81Å; L469-I473 HydrophobicContact CB-CG1 4.35Å; L469-I473 VanDerWaalsContact O-CG1 3.32Å; L469-I473 WeakPolarHBondContact O-CG1 3.32Å; L469-I473 PolarHBondContact O-N 3.08Å |
| 470 | K | 68.1 | Low | 65.9 | Low | 56 Ų | 56 | 54.3 Ų | 54.3 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.1 | -47.4 | -173.3 | -171.4 | 178.1 | 178.5 | 178 | 0 | 112.2 | M467 I472 I473 Q474 D525 | M467-K470 WeakPolarHBondContact O-CB 3.29Å; M467-K470 PolarHBondContact O-N 3.36Å; M467-K470 HydrophobicContact SD-CD 4.48Å; K470-I472 VanDerWaalsContact C-N 3.34Å; K470-I472 PolarHBondContact O-N 2.92Å; K470-I473 PolarHBondContact O-N 3.14Å; K470-Q474 HydrophobicContact CG-CG 4.36Å; K470-Q474 VanDerWaalsContact O-CB 3.29Å; K470-Q474 WeakPolarHBondContact O-CB 3.4Å; K470-Q474 VanDerWaalsContact O-CG 3.29Å; K470-Q474 WeakPolarHBondContact O-CG 3.48Å; K470-Q474 PolarHBondContact O-N 3.25Å; K470-D525 WeakPolarHBondContact CE-OD2 3.27Å; K470-D525 IonicContact NZ-OD2 3.54Å; K470-D525 PolarHBondContact NZ-OD2 3.44Å |
| 471 | D | 69.9 | Low | 66.1 | Low | 125 Ų | 125 | 54.3 Ų | 54.3 | 67% | 0.668 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.9 | -40 | -177.7 | -68.2 | -11.2 | 0 | 0 | 0 | 112.7 | L469 K475 | L469-D471 VanDerWaalsContact C-N 3.3Å; L469-D471 PolarHBondContact O-N 3.11Å; D471-K475 VanDerWaalsContact O-CB 3.28Å; D471-K475 WeakPolarHBondContact O-CB 3.31Å; D471-K475 PolarHBondContact O-N 3.48Å |
| 472 | I | 71.5 | Confident | 66.7 | Low | 33 Ų | 33 | 56.6 Ų | 56.6 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.5 | -46.9 | -179.6 | -62.9 | 172.6 | 0 | 0 | 0 | 109.7 | K426 L469 K470 Q474 K475 L476 | K426-I472 HydrophobicContact CD-CD1 3.64Å; K426-I472 VanDerWaalsContact CE-CD1 3.44Å; K426-I472 HydrophobicContact CG-CD1 3.73Å; L469-I472 HydrophobicContact CD2-CD1 4.23Å; L469-I472 PolarHBondContact O-N 3.06Å; L469-I472 VanDerWaalsContact O-N 3.15Å; K470-I472 VanDerWaalsContact C-N 3.34Å; K470-I472 PolarHBondContact O-N 2.92Å; I472-Q474 VanDerWaalsContact C-N 3.32Å; I472-Q474 PolarHBondContact O-N 2.88Å; I472-K475 PolarHBondContact O-N 2.99Å; I472-L476 HydrophobicContact CG2-CD1 3.88Å; I472-L476 HydrophobicContact CG2-CG 4.42Å; I472-L476 WeakPolarHBondContact O-CB 3.22Å; I472-L476 VanDerWaalsContact O-CG 3.31Å; I472-L476 WeakPolarHBondContact O-CG 3.28Å; I472-L476 PolarHBondContact O-N 3.18Å |
| 473 | I | 69.6 | Low | 67.2 | Low | 13.5 Ų | 13.5 | 54.4 Ų | 54.4 | 7% | 0.069 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 178.2 | -65.9 | 167.3 | 0 | 0 | 0 | 109.8 | L429 L460 L469 K470 K475 L476 S477 | L429-I473 HydrophobicContact CD1-CG1 4.09Å; L460-I473 HydrophobicContact CD1-CG1 4.46Å; L460-I473 HydrophobicContact CD1-CG2 4.39Å; L460-I473 HydrophobicContact CD2-CD1 4.06Å; L460-I473 HydrophobicContact CD2-CG1 4.43Å; L469-I473 HydrophobicContact CB-CD1 3.81Å; L469-I473 HydrophobicContact CB-CG1 4.35Å; L469-I473 VanDerWaalsContact O-CG1 3.32Å; L469-I473 WeakPolarHBondContact O-CG1 3.32Å; L469-I473 PolarHBondContact O-N 3.08Å; K470-I473 PolarHBondContact O-N 3.14Å; I473-K475 PolarHBondContact O-N 3.43Å; I473-L476 PolarHBondContact O-N 3.16Å; I473-S477 VanDerWaalsContact O-CB 3.27Å; I473-S477 WeakPolarHBondContact O-CB 3.09Å; I473-S477 PolarHBondContact O-N 3.13Å; I473-S477 PolarHBondContact O-OG 3.06Å |
| 474 | Q | 71 | Confident | 68 | Low | 47.5 Ų | 47.5 | 54 Ų | 54 | 22% | 0.222 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 177.8 | -127.4 | 177.5 | 4.1 | 0 | 0 | 112 | K470 I472 S477 A478 I523 | K470-Q474 HydrophobicContact CG-CG 4.36Å; K470-Q474 VanDerWaalsContact O-CB 3.29Å; K470-Q474 WeakPolarHBondContact O-CB 3.4Å; K470-Q474 VanDerWaalsContact O-CG 3.29Å; K470-Q474 WeakPolarHBondContact O-CG 3.48Å; K470-Q474 PolarHBondContact O-N 3.25Å; I472-Q474 VanDerWaalsContact C-N 3.32Å; I472-Q474 PolarHBondContact O-N 2.88Å; Q474-S477 WeakPolarHBondContact CA-OG 3.31Å; Q474-S477 PolarHBondContact O-OG 3.11Å; Q474-S477 VanDerWaalsContact O-OG 3.05Å; Q474-A478 VanDerWaalsContact O-CB 3.23Å; Q474-A478 WeakPolarHBondContact O-CB 3.28Å; Q474-A478 PolarHBondContact O-N 2.82Å; Q474-I523 HydrophobicContact CG-CG2 3.99Å |
| 475 | K | 72.4 | Confident | 69 | Low | 139 Ų | 139 | 51.3 Ų | 51.3 | 60% | 0.604 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.9 | -46.7 | 178.2 | -174.2 | 179.7 | 179.2 | -176.3 | 0 | 112.1 | D471 I472 I473 Q479 | D471-K475 VanDerWaalsContact O-CB 3.28Å; D471-K475 WeakPolarHBondContact O-CB 3.31Å; D471-K475 PolarHBondContact O-N 3.48Å; I472-K475 PolarHBondContact O-N 2.99Å; I473-K475 PolarHBondContact O-N 3.43Å; K475-Q479 VanDerWaalsContact O-CG 3.31Å; K475-Q479 WeakPolarHBondContact O-CG 3.37Å; K475-Q479 PolarHBondContact O-N 3.1Å; K475-Q479 VanDerWaalsContact O-N 3.08Å |
| 476 | L | 69.7 | Low | 69.9 | Low | 22.5 Ų | 22.5 | 51.3 Ų | 51.3 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -43.5 | -179.7 | -72.3 | 172.7 | 0 | 0 | 0 | 111.8 | L429 V433 W457 I472 I473 Q479 S480 | L429-L476 HydrophobicContact CB-CD1 4.16Å; V433-L476 HydrophobicContact CB-CD2 4.32Å; V433-L476 HydrophobicContact CG1-CD2 3.92Å; V433-L476 HydrophobicContact CG2-CD2 4.01Å; W457-L476 HydrophobicContact CH2-CB 3.91Å; W457-L476 HydrophobicContact CZ2-CB 3.99Å; I472-L476 HydrophobicContact CG2-CD1 3.88Å; I472-L476 HydrophobicContact CG2-CG 4.42Å; I472-L476 WeakPolarHBondContact O-CB 3.22Å; I472-L476 VanDerWaalsContact O-CG 3.31Å; I472-L476 WeakPolarHBondContact O-CG 3.28Å; I472-L476 PolarHBondContact O-N 3.18Å; I473-L476 PolarHBondContact O-N 3.16Å; L476-Q479 PolarHBondContact O-N 3.05Å; L476-S480 WeakPolarHBondContact O-CB 3.34Å; L476-S480 PolarHBondContact O-N 2.85Å; L476-S480 PolarHBondContact O-OG 2.82Å |
| 477 | S | 71.2 | Confident | 70.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 178.3 | 53 | 0 | 0 | 0 | 0 | 111.6 | I473 Q474 S480 F481 T522 I523 | I473-S477 VanDerWaalsContact O-CB 3.27Å; I473-S477 WeakPolarHBondContact O-CB 3.09Å; I473-S477 PolarHBondContact O-N 3.13Å; I473-S477 PolarHBondContact O-OG 3.06Å; Q474-S477 WeakPolarHBondContact CA-OG 3.31Å; Q474-S477 PolarHBondContact O-OG 3.11Å; Q474-S477 VanDerWaalsContact O-OG 3.05Å; S477-S480 WeakPolarHBondContact CA-OG 3.4Å; S477-S480 PolarHBondContact O-N 2.92Å; S477-S480 PolarHBondContact O-OG 3.21Å; S477-F481 WeakPolarHBondContact O-CB 3.24Å; S477-F481 PolarHBondContact O-N 3.18Å; S477-T522 VanDerWaalsContact CB-OG1 3.28Å; S477-T522 WeakPolarHBondContact CB-OG1 3.36Å; S477-I523 VanDerWaalsContact CB-CG1 3.5Å; S477-I523 WeakPolarHBondContact OG-CD1 3.44Å; S477-I523 WeakPolarHBondContact OG-CG1 3.26Å |
| 478 | A | 71.9 | Confident | 71.5 | Confident | 10.5 Ų | 10.5 | 43.7 Ų | 43.7 | 9% | 0.087 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q474 S480 F481 H482 I523 F526 Y529 | Q474-A478 VanDerWaalsContact O-CB 3.23Å; Q474-A478 WeakPolarHBondContact O-CB 3.28Å; Q474-A478 PolarHBondContact O-N 2.82Å; A478-S480 VanDerWaalsContact C-N 3.33Å; A478-S480 PolarHBondContact O-N 2.94Å; A478-F481 WeakPolarHBondContact O-CB 3.39Å; A478-F481 PolarHBondContact O-N 3.1Å; A478-H482 PolarHBondContact O-CD2 3.16Å; A478-H482 PolarHBondContact O-N 3.25Å; A478-H482 VanDerWaalsContact O-N 3.12Å; A478-I523 HydrophobicContact CB-CD1 4.37Å; A478-F526 HydrophobicContact CB-CE1 4.07Å; A478-F526 HydrophobicContact CB-CZ 3.74Å; A478-Y529 HydrophobicContact CB-CE2 4.47Å; A478-Y529 VanDerWaalsContact CB-OH 3.28Å; A478-Y529 WeakPolarHBondContact CB-OH 3.16Å |
| 479 | Q | 71.4 | Confident | 71.8 | Confident | 104.5 Ų | 104.5 | 38.5 Ų | 38.5 | 49% | 0.488 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 174.9 | -75.5 | 179 | -10.8 | 0 | 0 | 111.6 | K475 L476 F481 G483 | K475-Q479 VanDerWaalsContact O-CG 3.31Å; K475-Q479 WeakPolarHBondContact O-CG 3.37Å; K475-Q479 PolarHBondContact O-N 3.1Å; K475-Q479 VanDerWaalsContact O-N 3.08Å; L476-Q479 PolarHBondContact O-N 3.05Å; Q479-F481 VanDerWaalsContact C-N 3.34Å; Q479-F481 PolarHBondContact O-N 3.44Å; Q479-G483 PolarHBondContact O-N 3.24Å; Q479-G483 VanDerWaalsContact O-N 3.15Å |
| 480 | S | 70.6 | Confident | 72.1 | Confident | 6.5 Ų | 6.5 | 45.3 Ų | 45.3 | 5% | 0.045 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 176.6 | 76.8 | 0 | 0 | 0 | 0 | 112.1 | W457 L476 S477 A478 V484 | W457-S480 WeakPolarHBondContact CH2-OG 3.45Å; L476-S480 WeakPolarHBondContact O-CB 3.34Å; L476-S480 PolarHBondContact O-N 2.85Å; L476-S480 PolarHBondContact O-OG 2.82Å; S477-S480 WeakPolarHBondContact CA-OG 3.4Å; S477-S480 PolarHBondContact O-N 2.92Å; S477-S480 PolarHBondContact O-OG 3.21Å; A478-S480 VanDerWaalsContact C-N 3.33Å; A478-S480 PolarHBondContact O-N 2.94Å; S480-V484 WeakPolarHBondContact O-CB 3.42Å; S480-V484 VanDerWaalsContact O-CG2 3.26Å; S480-V484 WeakPolarHBondContact O-CG2 3.26Å; S480-V484 PolarHBondContact O-N 3.1Å |
| 481 | F | 73.9 | Confident | 72 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -52.1 | 178.5 | 178.2 | -88.6 | 0 | 0 | 0 | 111.3 | S477 A478 Q479 V484 F485 L516 A519 V520 V533 L537 | S477-F481 WeakPolarHBondContact O-CB 3.24Å; S477-F481 PolarHBondContact O-N 3.18Å; A478-F481 WeakPolarHBondContact O-CB 3.39Å; A478-F481 PolarHBondContact O-N 3.1Å; Q479-F481 VanDerWaalsContact C-N 3.34Å; Q479-F481 PolarHBondContact O-N 3.44Å; F481-V484 PolarHBondContact O-N 3.24Å; F481-F485 WeakPolarHBondContact O-CB 3.38Å; F481-F485 PolarHBondContact O-N 2.8Å; F481-L516 HydrophobicContact CB-CD2 4.45Å; F481-L516 HydrophobicContact CD2-CD2 3.67Å; F481-L516 HydrophobicContact CE2-CD2 4.14Å; F481-L516 HydrophobicContact CG-CD2 4.17Å; F481-L516 WeakPolarHBondContact O-CD2 3.35Å; F481-A519 HydrophobicContact CB-CB 4.49Å; F481-V520 HydrophobicContact CD2-CG2 4.02Å; F481-V520 HydrophobicContact CE2-CG2 3.79Å; F481-V533 HydrophobicContact CE1-CG1 3.81Å; F481-V533 HydrophobicContact CZ-CG1 4.43Å; F481-L537 HydrophobicContact CE2-CD1 3.65Å; F481-L537 HydrophobicContact CZ-CD1 3.49Å; F481-L537 VanDerWaalsContact CZ-CD1 3.49Å |
| 482 | H | 75.2 | Confident | 71.6 | Confident | 64 Ų | 64 | 38.1 Ų | 38.1 | 30% | 0.296 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.9 | -44.7 | -179.9 | -75 | -65.8 | 0 | 0 | 0 | 112.8 | A478 V484 F485 D486 Y529 | A478-H482 PolarHBondContact O-CD2 3.16Å; A478-H482 PolarHBondContact O-N 3.25Å; A478-H482 VanDerWaalsContact O-N 3.12Å; H482-V484 VanDerWaalsContact C-N 3.35Å; H482-V484 PolarHBondContact O-N 3.24Å; H482-F485 PolarHBondContact O-N 2.67Å; H482-D486 WeakPolarHBondContact O-CB 3.43Å; H482-D486 PolarHBondContact O-N 3.2Å; H482-Y529 PolarHBondContact CD2-OH 3.36Å; H482-Y529 AromaticContact CE1-CE1 3.71Å; H482-Y529 AromaticContact CE1-CZ 3.98Å; H482-Y529 PolarHBondContact CE1-OH 2.99Å; H482-Y529 AromaticContact NE2-CE1 3.25Å; H482-Y529 VanDerWaalsContact NE2-CE1 3.25Å; H482-Y529 WeakPolarHBondContact NE2-CE1 3.44Å; H482-Y529 AromaticContact NE2-CZ 3.57Å; H482-Y529 PolarHBondContact NE2-OH 3.45Å |
| 483 | G | 71.3 | Confident | 70.9 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N436 Q479 Y487 | N436-G483 WeakPolarHBondContact OD1-CA 3.15Å; Q479-G483 PolarHBondContact O-N 3.24Å; Q479-G483 VanDerWaalsContact O-N 3.15Å; G483-Y487 WeakPolarHBondContact O-CB 3.49Å; G483-Y487 PolarHBondContact O-N 3.04Å |
| 484 | V | 75.2 | Confident | 70.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.9 | -37.8 | -179.1 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | P437 W450 S480 F481 H482 Y487 L488 G512 L515 L516 | P437-V484 HydrophobicContact CB-CG2 4.29Å; P437-V484 HydrophobicContact CG-CG2 4.25Å; W450-V484 HydrophobicContact CZ2-CG2 4.22Å; S480-V484 WeakPolarHBondContact O-CB 3.42Å; S480-V484 VanDerWaalsContact O-CG2 3.26Å; S480-V484 WeakPolarHBondContact O-CG2 3.26Å; S480-V484 PolarHBondContact O-N 3.1Å; F481-V484 PolarHBondContact O-N 3.24Å; H482-V484 VanDerWaalsContact C-N 3.35Å; H482-V484 PolarHBondContact O-N 3.24Å; V484-Y487 PolarHBondContact O-N 3.37Å; V484-L488 HydrophobicContact CG1-CD1 3.84Å; V484-L488 HydrophobicContact CG1-CG 4.16Å; V484-L488 WeakPolarHBondContact O-CB 3.35Å; V484-L488 VanDerWaalsContact O-CG 3.31Å; V484-L488 WeakPolarHBondContact O-CG 3.32Å; V484-L488 PolarHBondContact O-N 3.01Å; V484-G512 WeakPolarHBondContact CG1-O 3.35Å; V484-L515 HydrophobicContact CB-CD2 4.33Å; V484-L515 HydrophobicContact CG2-CD2 3.72Å; V484-L516 HydrophobicContact CB-CD2 4.04Å; V484-L516 HydrophobicContact CB-CG 4.23Å; V484-L516 HydrophobicContact CG1-CD1 4.35Å; V484-L516 HydrophobicContact CG1-CD2 4.17Å; V484-L516 HydrophobicContact CG1-CG 3.8Å |
| 485 | F | 75.8 | Confident | 69.1 | Low | 19.5 Ų | 19.5 | 46 Ų | 46 | 9% | 0.086 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 176.6 | -178.6 | -112.2 | 0 | 0 | 0 | 112.1 | F481 H482 Y487 L488 T489 L516 S536 L537 W540 | F481-F485 WeakPolarHBondContact O-CB 3.38Å; F481-F485 PolarHBondContact O-N 2.8Å; H482-F485 PolarHBondContact O-N 2.67Å; F485-Y487 VanDerWaalsContact C-N 3.29Å; F485-Y487 PolarHBondContact O-N 2.93Å; F485-L488 PolarHBondContact O-N 3.11Å; F485-T489 HydrophobicContact CD1-CG2 4.27Å; F485-T489 HydrophobicContact CD2-CG2 4.05Å; F485-T489 HydrophobicContact CE1-CG2 4.05Å; F485-T489 HydrophobicContact CE2-CG2 3.64Å; F485-T489 HydrophobicContact CG-CG2 4.41Å; F485-T489 HydrophobicContact CZ-CG2 3.66Å; F485-T489 WeakPolarHBondContact O-CB 3.39Å; F485-T489 VanDerWaalsContact O-CG2 3.3Å; F485-T489 WeakPolarHBondContact O-CG2 3.37Å; F485-T489 PolarHBondContact O-N 3.3Å; F485-T489 PolarHBondContact O-OG1 2.92Å; F485-L516 HydrophobicContact CB-CD2 4.28Å; F485-L516 HydrophobicContact CD2-CD1 4.49Å; F485-S536 WeakPolarHBondContact CE1-OG 3.29Å; F485-L537 HydrophobicContact CD2-CB 4.42Å; F485-L537 HydrophobicContact CD2-CD1 3.92Å; F485-L537 HydrophobicContact CD2-CG 4.25Å; F485-L537 HydrophobicContact CE2-CB 3.74Å; F485-L537 HydrophobicContact CE2-CD1 3.98Å; F485-L537 HydrophobicContact CE2-CG 3.8Å; F485-L537 HydrophobicContact CZ-CB 3.99Å; F485-L537 HydrophobicContact CZ-CG 4.49Å; F485-W540 HydrophobicContact CE2-CD2 4.46Å; F485-W540 HydrophobicContact CE2-CE3 4.31Å |
| 486 | D | 74.7 | Confident | 68 | Low | 80 Ų | 80 | 44.2 Ų | 44.2 | 43% | 0.428 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63 | -36.8 | 176 | -127.8 | 20.8 | 0 | 0 | 0 | 111.8 | H482 T489 K490 | H482-D486 WeakPolarHBondContact O-CB 3.43Å; H482-D486 PolarHBondContact O-N 3.2Å; D486-T489 WeakPolarHBondContact CA-OG1 3.48Å; D486-T489 PolarHBondContact O-OG1 3.12Å; D486-T489 VanDerWaalsContact O-OG1 3.09Å; D486-K490 WeakPolarHBondContact O-CB 2.98Å; D486-K490 WeakPolarHBondContact O-CD 3.45Å; D486-K490 VanDerWaalsContact O-CG 3.26Å; D486-K490 WeakPolarHBondContact O-CG 3.38Å; D486-K490 PolarHBondContact O-N 3.14Å; D486-K490 WeakPolarHBondContact OD1-CE 3.49Å; D486-K490 IonicContact OD1-NZ 2.88Å; D486-K490 PolarHBondContact OD1-NZ 3.42Å; D486-K490 IonicContact OD2-NZ 3.22Å; D486-K490 PolarHBondContact OD2-NZ 3.14Å |
| 487 | Y | 73.4 | Confident | 66.8 | Low | 23 Ų | 23 | 47.8 Ų | 47.8 | 9% | 0.09 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -47.8 | 174.8 | 174 | -101.2 | 0 | 0 | 0 | 112.3 | P437 V438 I442 W450 G483 V484 F485 K490 S491 T508 | P437-Y487 HydrophobicContact CB-CD2 4.21Å; P437-Y487 HydrophobicContact CB-CE2 4.42Å; P437-Y487 HydrophobicContact CG-CD1 4.48Å; P437-Y487 HydrophobicContact CG-CD2 3.53Å; P437-Y487 HydrophobicContact CG-CE2 4.11Å; P437-Y487 HydrophobicContact CG-CG 3.77Å; V438-Y487 HydrophobicContact CG1-CD2 3.78Å; V438-Y487 HydrophobicContact CG1-CE2 4.44Å; V438-Y487 HydrophobicContact CG2-CD2 4.43Å; I442-Y487 HydrophobicContact CD1-CE2 3.87Å; I442-Y487 WeakPolarHBondContact CD1-OH 3.47Å; W450-Y487 AromaticContact CH2-CD1 3.91Å; W450-Y487 HydrophobicContact CH2-CD1 3.91Å; W450-Y487 HydrophobicContact CH2-CE1 4.12Å; G483-Y487 WeakPolarHBondContact O-CB 3.49Å; G483-Y487 PolarHBondContact O-N 3.04Å; V484-Y487 PolarHBondContact O-N 3.37Å; F485-Y487 VanDerWaalsContact C-N 3.29Å; F485-Y487 PolarHBondContact O-N 2.93Å; Y487-K490 PolarHBondContact O-N 3.16Å; Y487-S491 VanDerWaalsContact O-CB 3.24Å; Y487-S491 WeakPolarHBondContact O-CB 3.39Å; Y487-S491 PolarHBondContact O-N 2.92Å; Y487-S491 PolarHBondContact O-OG 3.29Å; Y487-T508 PolarHBondContact OH-OG1 3.14Å |
| 488 | L | 74.6 | Confident | 65.5 | Low | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66 | -42.4 | -177.9 | -71.4 | 174.6 | 0 | 0 | 0 | 111.9 | V484 F485 K490 S491 I492 T509 L513 L516 W540 | V484-L488 HydrophobicContact CG1-CD1 3.84Å; V484-L488 HydrophobicContact CG1-CG 4.16Å; V484-L488 WeakPolarHBondContact O-CB 3.35Å; V484-L488 VanDerWaalsContact O-CG 3.31Å; V484-L488 WeakPolarHBondContact O-CG 3.32Å; V484-L488 PolarHBondContact O-N 3.01Å; F485-L488 PolarHBondContact O-N 3.11Å; L488-K490 VanDerWaalsContact C-N 3.28Å; L488-K490 PolarHBondContact O-N 3.02Å; L488-S491 WeakPolarHBondContact CA-OG 3.24Å; L488-S491 PolarHBondContact O-N 3.33Å; L488-S491 PolarHBondContact O-OG 3.15Å; L488-I492 HydrophobicContact CB-CD1 4.25Å; L488-I492 HydrophobicContact CD2-CD1 4.07Å; L488-I492 VanDerWaalsContact O-CB 3.26Å; L488-I492 WeakPolarHBondContact O-CB 3.36Å; L488-I492 VanDerWaalsContact O-CG1 3.25Å; L488-I492 WeakPolarHBondContact O-CG1 3.43Å; L488-I492 PolarHBondContact O-N 2.96Å; L488-T509 HydrophobicContact CD2-CG2 4.04Å; L488-L513 HydrophobicContact CD1-CD2 4.06Å; L488-L513 HydrophobicContact CD1-CG 4.2Å; L488-L516 HydrophobicContact CD1-CD1 3.48Å; L488-L516 VanDerWaalsContact CD1-CD1 3.46Å; L488-L516 HydrophobicContact CD1-CG 4.25Å; L488-W540 HydrophobicContact CB-CH2 3.87Å; L488-W540 HydrophobicContact CB-CZ2 4.01Å; L488-W540 HydrophobicContact CD1-CH2 4.37Å |
| 489 | T | 72.4 | Confident | 64.2 | Low | 36.5 Ų | 36.5 | 64.8 Ų | 64.8 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 177.7 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | F485 D486 W540 | F485-T489 HydrophobicContact CD1-CG2 4.27Å; F485-T489 HydrophobicContact CD2-CG2 4.05Å; F485-T489 HydrophobicContact CE1-CG2 4.05Å; F485-T489 HydrophobicContact CE2-CG2 3.64Å; F485-T489 HydrophobicContact CG-CG2 4.41Å; F485-T489 HydrophobicContact CZ-CG2 3.66Å; F485-T489 WeakPolarHBondContact O-CB 3.39Å; F485-T489 VanDerWaalsContact O-CG2 3.3Å; F485-T489 WeakPolarHBondContact O-CG2 3.37Å; F485-T489 PolarHBondContact O-N 3.3Å; F485-T489 PolarHBondContact O-OG1 2.92Å; D486-T489 WeakPolarHBondContact CA-OG1 3.48Å; D486-T489 PolarHBondContact O-OG1 3.12Å; D486-T489 VanDerWaalsContact O-OG1 3.09Å; T489-W540 HydrophobicContact CG2-CD2 4.21Å; T489-W540 HydrophobicContact CG2-CG 4.1Å |
| 490 | K | 71.3 | Confident | 63.1 | Low | 147 Ų | 147 | 65.9 Ų | 65.9 | 64% | 0.639 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -80.3 | -36.4 | 175.5 | -72 | 171.8 | -177 | 162.4 | 0 | 113.5 | D486 Y487 L488 | D486-K490 WeakPolarHBondContact O-CB 2.98Å; D486-K490 WeakPolarHBondContact O-CD 3.45Å; D486-K490 VanDerWaalsContact O-CG 3.26Å; D486-K490 WeakPolarHBondContact O-CG 3.38Å; D486-K490 PolarHBondContact O-N 3.14Å; D486-K490 WeakPolarHBondContact OD1-CE 3.49Å; D486-K490 IonicContact OD1-NZ 2.88Å; D486-K490 PolarHBondContact OD1-NZ 3.42Å; D486-K490 IonicContact OD2-NZ 3.22Å; D486-K490 PolarHBondContact OD2-NZ 3.14Å; Y487-K490 PolarHBondContact O-N 3.16Å; L488-K490 VanDerWaalsContact C-N 3.28Å; L488-K490 PolarHBondContact O-N 3.02Å |
| 491 | S | 64.6 | Low | 62.3 | Low | 28 Ų | 28 | 68.9 Ų | 68.9 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -83.6 | -28.4 | -173.1 | 58.5 | 0 | 0 | 0 | 0 | 114 | Y487 L488 F493 | Y487-S491 VanDerWaalsContact O-CB 3.24Å; Y487-S491 WeakPolarHBondContact O-CB 3.39Å; Y487-S491 PolarHBondContact O-N 2.92Å; Y487-S491 PolarHBondContact O-OG 3.29Å; L488-S491 WeakPolarHBondContact CA-OG 3.24Å; L488-S491 PolarHBondContact O-N 3.33Å; L488-S491 PolarHBondContact O-OG 3.15Å; S491-F493 VanDerWaalsContact C-N 3.27Å; S491-F493 PolarHBondContact O-N 3.05Å |
| 492 | I | 61.6 | Low | 61.6 | Low | 0.5 Ų | 0.5 | 72.4 Ų | 72.4 | 0% | 0.003 | 39% | 0.387 | C | S | . | . | trans | -81.9 | 36.5 | -175.5 | -63.3 | 177.5 | 0 | 0 | 0 | 112.5 | L488 F494 T509 W540 V548 | L488-I492 HydrophobicContact CB-CD1 4.25Å; L488-I492 HydrophobicContact CD2-CD1 4.07Å; L488-I492 VanDerWaalsContact O-CB 3.26Å; L488-I492 WeakPolarHBondContact O-CB 3.36Å; L488-I492 VanDerWaalsContact O-CG1 3.25Å; L488-I492 WeakPolarHBondContact O-CG1 3.43Å; L488-I492 PolarHBondContact O-N 2.96Å; I492-F494 HydrophobicContact CB-CE2 4.26Å; I492-F494 HydrophobicContact CG1-CE2 4.2Å; I492-F494 HydrophobicContact CG1-CZ 4.49Å; I492-F494 HydrophobicContact CG2-CD2 4.05Å; I492-F494 HydrophobicContact CG2-CE2 3.96Å; I492-F494 VanDerWaalsContact O-CD2 3.24Å; I492-F494 WeakPolarHBondContact O-CD2 3.45Å; I492-F494 PolarHBondContact O-N 3.26Å; I492-T509 HydrophobicContact CD1-CG2 3.65Å; I492-T509 HydrophobicContact CG1-CG2 3.92Å; I492-W540 HydrophobicContact CB-CZ2 4.25Å; I492-W540 HydrophobicContact CD1-CH2 3.68Å; I492-W540 HydrophobicContact CD1-CZ2 3.4Å; I492-W540 VanDerWaalsContact CD1-CZ2 3.41Å; I492-W540 HydrophobicContact CG1-CZ2 4.23Å; I492-W540 HydrophobicContact CG2-CZ2 4.22Å; I492-V548 HydrophobicContact CG2-CG2 3.6Å; I492-V548 VanDerWaalsContact CG2-CG2 3.44Å | ||
| 493 | F | 58.1 | Low | 60.9 | Low | 151.5 Ų | 151.5 | 70.4 Ų | 70.4 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | trans | -94.1 | 77.5 | 162.8 | -84.5 | -80.2 | 0 | 0 | 0 | 110.4 | S491 S495 | S491-F493 VanDerWaalsContact C-N 3.27Å; S491-F493 PolarHBondContact O-N 3.05Å; F493-S495 VanDerWaalsContact C-N 3.35Å; F493-S495 PolarHBondContact O-N 3.43Å; F493-S495 VanDerWaalsContact O-N 3.13Å | ||
| 494 | F | 53.2 | Low | 60.5 | Low | 25 Ų | 25 | 73.9 Ų | 73.9 | 11% | 0.11 | 39% | 0.391 | C | S | . | . | trans | -80.9 | 76.1 | 172.9 | -62 | -77.5 | 0 | 0 | 0 | 109.8 | I492 I501 K505 F506 V548 K549 I558 | I492-F494 HydrophobicContact CB-CE2 4.26Å; I492-F494 HydrophobicContact CG1-CE2 4.2Å; I492-F494 HydrophobicContact CG1-CZ 4.49Å; I492-F494 HydrophobicContact CG2-CD2 4.05Å; I492-F494 HydrophobicContact CG2-CE2 3.96Å; I492-F494 VanDerWaalsContact O-CD2 3.24Å; I492-F494 WeakPolarHBondContact O-CD2 3.45Å; I492-F494 PolarHBondContact O-N 3.26Å; F494-I501 HydrophobicContact CD1-CD1 4.4Å; F494-I501 HydrophobicContact CD1-CG2 4.04Å; F494-I501 HydrophobicContact CE1-CG2 4.1Å; F494-K505 HydrophobicContact CE1-CB 4.34Å; F494-K505 HydrophobicContact CZ-CB 4.4Å; F494-F506 HydrophobicContact CD1-CE1 4.3Å; F494-F506 HydrophobicContact CD1-CZ 4.19Å; F494-F506 HydrophobicContact CD2-CE1 4.34Å; F494-F506 HydrophobicContact CE1-CD1 4.42Å; F494-F506 HydrophobicContact CE1-CE1 4.21Å; F494-F506 HydrophobicContact CE1-CZ 4.11Å; F494-F506 HydrophobicContact CE2-CD1 4.4Å; F494-F506 HydrophobicContact CE2-CE1 4.05Å; F494-F506 HydrophobicContact CG-CE1 4.45Å; F494-F506 HydrophobicContact CZ-CD1 4.03Å; F494-F506 AromaticContact CZ-CE1 3.88Å; F494-F506 HydrophobicContact CZ-CE1 4.08Å; F494-F506 HydrophobicContact CZ-CZ 4.45Å; F494-V548 HydrophobicContact CB-CG1 4.17Å; F494-V548 HydrophobicContact CD2-CB 4.18Å; F494-V548 HydrophobicContact CD2-CG1 3.88Å; F494-V548 HydrophobicContact CD2-CG2 3.87Å; F494-V548 HydrophobicContact CE2-CG1 4.06Å; F494-V548 HydrophobicContact CE2-CG2 3.97Å; F494-V548 HydrophobicContact CG-CG1 4.44Å; F494-K549 PolarHBondContact O-N 3.42Å; F494-I558 HydrophobicContact CE2-CD1 4.36Å | ||
| 495 | S | 49.9 | Very low | 60.2 | Low | 83.5 Ų | 83.5 | 78 Ų | 78 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | trans | -68.3 | 139.8 | 171.3 | 69.6 | 0 | 0 | 0 | 0 | 110.3 | F493 T497 | F493-S495 VanDerWaalsContact C-N 3.35Å; F493-S495 PolarHBondContact O-N 3.43Å; F493-S495 VanDerWaalsContact O-N 3.13Å; S495-T497 PolarHBondContact O-N 3.07Å | ||
| 496 | S | 48.1 | Very low | 59.8 | Low | 101.5 Ų | 101.5 | 77.1 Ų | 77.1 | 71% | 0.71 | 41% | 0.405 | S | S | * | . | trans | -66.2 | 26.5 | -174.2 | 65.4 | 0 | 0 | 0 | 0 | 115.3 | M498 | S496-M498 PolarHBondContact O-N 3.35Š| ||
| 497 | T | 44.5 | Very low | 59.5 | Low | 97.5 Ų | 97.5 | 73.6 Ų | 73.6 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | trans | -76.6 | 128 | 176.9 | 57.9 | 0 | 0 | 0 | 0 | 108.8 | S495 K499 | S495-T497 PolarHBondContact O-N 3.07Å; T497-K499 PolarHBondContact O-N 3.05Å | ||
| 498 | M | 43.2 | Very low | 59.3 | Low | 198 Ų | 198 | 72.7 Ų | 72.7 | 98% | 0.975 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -62.6 | 48.9 | -173.2 | -69.7 | -134.8 | 122.7 | 0 | 0 | 115.4 | S496 | S496-M498 PolarHBondContact O-N 3.35Š|
| 499 | K | 45 | Very low | 59.2 | Low | 170 Ų | 170 | 72.8 Ų | 72.8 | 74% | 0.739 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -102 | 135.4 | 165.2 | -72.7 | -173.4 | 176.7 | -177.9 | 0 | 108.6 | T497 I501 | T497-K499 PolarHBondContact O-N 3.05Å; K499-I501 PolarHBondContact O-N 3.07Å; K499-I501 VanDerWaalsContact O-N 3.08Å |
| 500 | P | 49.3 | Very low | 59.5 | Low | 128 Ų | 128 | 71.3 Ų | 71.3 | 83% | 0.831 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 123.1 | 174.1 | 24.6 | -32.2 | 0 | 0 | 0 | 108 | N502 | P500-N502 PolarHBondContact O-N 3.33Š|
| 501 | I | 52.3 | Low | 59.7 | Low | 69 Ų | 69 | 64.5 Ų | 64.5 | 35% | 0.354 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 128 | -176.4 | -55.7 | 166.7 | 0 | 0 | 0 | 107.2 | F494 K499 S503 F506 C550 | F494-I501 HydrophobicContact CD1-CD1 4.4Å; F494-I501 HydrophobicContact CD1-CG2 4.04Å; F494-I501 HydrophobicContact CE1-CG2 4.1Å; K499-I501 PolarHBondContact O-N 3.07Å; K499-I501 VanDerWaalsContact O-N 3.08Å; I501-S503 PolarHBondContact O-N 3.43Å; I501-F506 HydrophobicContact CB-CE2 3.78Å; I501-F506 HydrophobicContact CB-CZ 4.14Å; I501-F506 HydrophobicContact CD1-CE2 4.14Å; I501-F506 HydrophobicContact CD1-CZ 3.98Å; I501-F506 HydrophobicContact CG1-CE2 4.42Å; I501-F506 HydrophobicContact CG1-CZ 4.49Å; I501-F506 HydrophobicContact CG2-CD2 3.86Å; I501-F506 HydrophobicContact CG2-CE2 3.18Å; I501-F506 HydrophobicContact CG2-CZ 3.65Å; I501-C550 VanDerWaalsContact CD1-SG 3.57Å |
| 502 | N | 60.6 | Low | 60.2 | Low | 81 Ų | 81 | 63.2 Ų | 63.2 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | trans | -66.1 | 112.3 | 179.6 | -171 | -10.2 | 0 | 0 | 0 | 108.9 | P500 K504 K505 | P500-N502 PolarHBondContact O-N 3.33Å; N502-K504 PolarHBondContact O-N 3.04Å; N502-K504 VanDerWaalsContact O-N 3.11Å; N502-K504 WeakPolarHBondContact OD1-CB 3.29Å; N502-K504 WeakPolarHBondContact OD1-CG 3.38Å; N502-K504 PolarHBondContact OD1-N 3.21Å; N502-K505 HydrophobicContact CB-CG 4.3Å; N502-K505 WeakPolarHBondContact O-CB 3.38Å; N502-K505 PolarHBondContact O-N 3.2Å | ||
| 503 | S | 59.6 | Low | 61.1 | Low | 22 Ų | 22 | 63.2 Ų | 63.2 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -53 | -32.4 | -179.4 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | F392 I501 K505 F506 A507 | F392-S503 WeakPolarHBondContact CD2-OG 3.35Å; F392-S503 VanDerWaalsContact CE2-OG 3.29Å; F392-S503 WeakPolarHBondContact CE2-OG 3.49Å; F392-S503 VanDerWaalsContact CG-CB 3.5Å; F392-S503 WeakPolarHBondContact CZ-OG 3.27Å; I501-S503 PolarHBondContact O-N 3.43Å; S503-K505 VanDerWaalsContact C-N 3.25Å; S503-K505 PolarHBondContact O-N 3.14Å; S503-F506 PolarHBondContact O-N 3.18Å; S503-F506 VanDerWaalsContact O-N 3.11Å; S503-A507 PolarHBondContact O-N 3.41Å; S503-A507 VanDerWaalsContact O-N 3.12Å |
| 504 | K | 63 | Low | 62.1 | Low | 89.5 Ų | 89.5 | 56.5 Ų | 56.5 | 39% | 0.389 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57 | -35.2 | 174 | -59.8 | -174.8 | -179.7 | 173.4 | 0 | 112.7 | N502 A507 T508 | N502-K504 PolarHBondContact O-N 3.04Å; N502-K504 VanDerWaalsContact O-N 3.11Å; N502-K504 WeakPolarHBondContact OD1-CB 3.29Å; N502-K504 WeakPolarHBondContact OD1-CG 3.38Å; N502-K504 PolarHBondContact OD1-N 3.21Å; K504-A507 PolarHBondContact O-N 3.31Å; K504-T508 WeakPolarHBondContact O-CG2 3.47Å; K504-T508 PolarHBondContact O-N 3.27Å; K504-T508 PolarHBondContact O-OG1 3.22Å |
| 505 | K | 68.1 | Low | 63.2 | Low | 88 Ų | 88 | 55.5 Ų | 55.5 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.5 | -34.5 | 177.3 | -71.1 | -168.4 | 175.7 | -165.3 | 0 | 112.7 | D440 F494 N502 S503 T508 T509 | D440-K505 IonicContact OD1-NZ 2.7Å; F494-K505 HydrophobicContact CE1-CB 4.34Å; F494-K505 HydrophobicContact CZ-CB 4.4Å; N502-K505 HydrophobicContact CB-CG 4.3Å; N502-K505 WeakPolarHBondContact O-CB 3.38Å; N502-K505 PolarHBondContact O-N 3.2Å; S503-K505 VanDerWaalsContact C-N 3.25Å; S503-K505 PolarHBondContact O-N 3.14Å; K505-T508 WeakPolarHBondContact CA-OG1 3.41Å; K505-T508 PolarHBondContact O-OG1 3.38Å; K505-T508 VanDerWaalsContact O-OG1 3.07Å; K505-T509 WeakPolarHBondContact O-CB 3.14Å; K505-T509 VanDerWaalsContact O-CG2 3.3Å; K505-T509 WeakPolarHBondContact O-CG2 3.37Å; K505-T509 PolarHBondContact O-N 3.07Å; K505-T509 PolarHBondContact O-OG1 3.29Å |
| 506 | F | 69.1 | Low | 64.5 | Low | 0.5 Ų | 0.5 | 51.5 Ų | 51.5 | 0% | 0.002 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.3 | -41 | 175.5 | -74.7 | -63.9 | 0 | 0 | 0 | 111.6 | F494 I501 S503 T509 Y510 C550 H554 Y557 I558 | F494-F506 HydrophobicContact CD1-CE1 4.3Å; F494-F506 HydrophobicContact CD1-CZ 4.19Å; F494-F506 HydrophobicContact CD2-CE1 4.34Å; F494-F506 HydrophobicContact CE1-CD1 4.42Å; F494-F506 HydrophobicContact CE1-CE1 4.21Å; F494-F506 HydrophobicContact CE1-CZ 4.11Å; F494-F506 HydrophobicContact CE2-CD1 4.4Å; F494-F506 HydrophobicContact CE2-CE1 4.05Å; F494-F506 HydrophobicContact CG-CE1 4.45Å; F494-F506 HydrophobicContact CZ-CD1 4.03Å; F494-F506 AromaticContact CZ-CE1 3.88Å; F494-F506 HydrophobicContact CZ-CE1 4.08Å; F494-F506 HydrophobicContact CZ-CZ 4.45Å; I501-F506 HydrophobicContact CB-CE2 3.78Å; I501-F506 HydrophobicContact CB-CZ 4.14Å; I501-F506 HydrophobicContact CD1-CE2 4.14Å; I501-F506 HydrophobicContact CD1-CZ 3.98Å; I501-F506 HydrophobicContact CG1-CE2 4.42Å; I501-F506 HydrophobicContact CG1-CZ 4.49Å; I501-F506 HydrophobicContact CG2-CD2 3.86Å; I501-F506 HydrophobicContact CG2-CE2 3.18Å; I501-F506 HydrophobicContact CG2-CZ 3.65Å; S503-F506 PolarHBondContact O-N 3.18Å; S503-F506 VanDerWaalsContact O-N 3.11Å; F506-T509 VanDerWaalsContact CA-OG1 3.32Å; F506-T509 WeakPolarHBondContact CA-OG1 3.37Å; F506-T509 WeakPolarHBondContact O-CB 3.36Å; F506-T509 PolarHBondContact O-N 3.33Å; F506-T509 PolarHBondContact O-OG1 3.07Å; F506-Y510 WeakPolarHBondContact O-CB 3.28Å; F506-Y510 PolarHBondContact O-N 3.21Å; F506-C550 HydrophobicContact CE1-CB 4.33Å; F506-C550 HydrophobicContact CZ-CB 3.93Å; F506-C550 VanDerWaalsContact CZ-SG 3.54Å; F506-H554 HydrophobicContact CD1-CB 4.38Å; F506-H554 HydrophobicContact CD2-CB 4.16Å; F506-H554 AromaticContact CD2-CD2 3.54Å; F506-H554 VanDerWaalsContact CD2-CD2 3.5Å; F506-H554 WeakPolarHBondContact CD2-CD2 3.33Å; F506-H554 HydrophobicContact CE1-CB 4.01Å; F506-H554 HydrophobicContact CE2-CB 3.72Å; F506-H554 AromaticContact CE2-CD2 3.54Å; F506-H554 VanDerWaalsContact CE2-CD2 3.48Å; F506-H554 WeakPolarHBondContact CE2-CD2 3.21Å; F506-H554 AromaticContact CE2-CG 3.68Å; F506-H554 HydrophobicContact CG-CB 4.46Å; F506-H554 HydrophobicContact CZ-CB 3.66Å; F506-Y557 HydrophobicContact CB-CD2 3.97Å; F506-Y557 HydrophobicContact CB-CE2 4.48Å; F506-Y557 HydrophobicContact CB-CG 4.1Å; F506-Y557 HydrophobicContact CG-CD2 4.46Å; F506-I558 HydrophobicContact CD1-CD1 4.27Å; F506-I558 HydrophobicContact CE1-CD1 4.13Å |
| 507 | A | 66.6 | Low | 65.8 | Low | 5 Ų | 5 | 46.7 Ų | 46.7 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F386 S503 K504 Y510 F511 | F386-A507 HydrophobicContact CE1-CB 3.72Å; F386-A507 HydrophobicContact CZ-CB 4.36Å; S503-A507 PolarHBondContact O-N 3.41Å; S503-A507 VanDerWaalsContact O-N 3.12Å; K504-A507 PolarHBondContact O-N 3.31Å; A507-Y510 WeakPolarHBondContact O-CB 3.35Å; A507-Y510 PolarHBondContact O-N 3Å; A507-F511 HydrophobicContact CB-CE2 4.46Å; A507-F511 WeakPolarHBondContact O-CD2 3.21Å; A507-F511 PolarHBondContact O-N 3.27Å; A507-F511 VanDerWaalsContact O-N 3.08Å |
| 508 | T | 70.3 | Confident | 67.2 | Low | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.7 | -37.9 | 176.8 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | I442 T447 W450 Y487 K504 K505 Y510 F511 G512 | I442-T508 HydrophobicContact CB-CG2 4.45Å; I442-T508 HydrophobicContact CD1-CG2 3.62Å; I442-T508 HydrophobicContact CG1-CG2 3.84Å; I442-T508 HydrophobicContact CG2-CG2 3.99Å; T447-T508 HydrophobicContact CG2-CG2 3.72Å; W450-T508 WeakPolarHBondContact CZ3-O 3.4Å; Y487-T508 PolarHBondContact OH-OG1 3.14Å; K504-T508 WeakPolarHBondContact O-CG2 3.47Å; K504-T508 PolarHBondContact O-N 3.27Å; K504-T508 PolarHBondContact O-OG1 3.22Å; K505-T508 WeakPolarHBondContact CA-OG1 3.41Å; K505-T508 PolarHBondContact O-OG1 3.38Å; K505-T508 VanDerWaalsContact O-OG1 3.07Å; T508-Y510 VanDerWaalsContact C-N 3.34Å; T508-Y510 PolarHBondContact O-N 3.32Å; T508-F511 PolarHBondContact O-N 3.24Å; T508-G512 PolarHBondContact O-N 3.31Å |
| 509 | T | 73 | Confident | 68.6 | Low | 2.5 Ų | 2.5 | 32.7 Ų | 32.7 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 174.2 | -6.2 | 0 | 0 | 0 | 0 | 111.6 | L488 I492 K505 F506 G512 L513 I558 | L488-T509 HydrophobicContact CD2-CG2 4.04Å; I492-T509 HydrophobicContact CD1-CG2 3.65Å; I492-T509 HydrophobicContact CG1-CG2 3.92Å; K505-T509 WeakPolarHBondContact O-CB 3.14Å; K505-T509 VanDerWaalsContact O-CG2 3.3Å; K505-T509 WeakPolarHBondContact O-CG2 3.37Å; K505-T509 PolarHBondContact O-N 3.07Å; K505-T509 PolarHBondContact O-OG1 3.29Å; F506-T509 VanDerWaalsContact CA-OG1 3.32Å; F506-T509 WeakPolarHBondContact CA-OG1 3.37Å; F506-T509 WeakPolarHBondContact O-CB 3.36Å; F506-T509 PolarHBondContact O-N 3.33Å; F506-T509 PolarHBondContact O-OG1 3.07Å; T509-G512 PolarHBondContact O-N 3.28Å; T509-L513 HydrophobicContact CG2-CD1 4.1Å; T509-L513 WeakPolarHBondContact O-CG 3.35Å; T509-L513 PolarHBondContact O-N 3Å; T509-I558 HydrophobicContact CG2-CG1 4.13Å |
| 510 | Y | 77.7 | Confident | 70 | Confident | 4.5 Ų | 4.5 | 24.8 Ų | 24.8 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.8 | -54.7 | 173.7 | 164.4 | -97.7 | 0 | 0 | 0 | 112 | I399 E403 F506 A507 T508 G512 L513 R514 Y557 P561 W606 | I399-Y510 HydrophobicContact CG2-CD2 4.45Å; I399-Y510 HydrophobicContact CG2-CE2 3.83Å; E403-Y510 WeakPolarHBondContact CG-OH 3.37Å; E403-Y510 PolarHBondContact OE1-OH 3.04Å; F506-Y510 WeakPolarHBondContact O-CB 3.28Å; F506-Y510 PolarHBondContact O-N 3.21Å; A507-Y510 WeakPolarHBondContact O-CB 3.35Å; A507-Y510 PolarHBondContact O-N 3Å; T508-Y510 VanDerWaalsContact C-N 3.34Å; T508-Y510 PolarHBondContact O-N 3.32Å; Y510-G512 VanDerWaalsContact C-N 3.29Å; Y510-G512 PolarHBondContact O-N 3.3Å; Y510-L513 PolarHBondContact O-N 3.24Å; Y510-R514 PolarHBondContact O-N 3.22Å; Y510-Y557 WeakPolarHBondContact CB-O 3.22Å; Y510-Y557 HydrophobicContact CD2-CD1 4.36Å; Y510-Y557 HydrophobicContact CG-CD1 4.38Å; Y510-P561 HydrophobicContact CD2-CB 4.23Å; Y510-P561 HydrophobicContact CD2-CG 3.59Å; Y510-P561 HydrophobicContact CE2-CB 4.41Å; Y510-P561 HydrophobicContact CE2-CG 4Å; Y510-P561 HydrophobicContact CG-CG 4.37Å; Y510-W606 AromaticContact CE2-CH2 3.72Å; Y510-W606 HydrophobicContact CE2-CH2 3.72Å; Y510-W606 HydrophobicContact CE2-CZ2 4.47Å; Y510-W606 HydrophobicContact CE2-CZ3 4.35Å |
| 511 | F | 74.7 | Confident | 70.9 | Confident | 4.5 Ų | 4.5 | 19.6 Ų | 19.6 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.7 | -35.6 | -179.8 | -68.2 | -59.5 | 0 | 0 | 0 | 111.9 | F386 I402 W450 I451 I454 A507 T508 R514 L515 | F386-F511 AromaticContact CZ-CE2 3.89Å; F386-F511 HydrophobicContact CZ-CE2 3.89Å; F386-F511 HydrophobicContact CZ-CZ 4.07Å; I402-F511 HydrophobicContact CD1-CE1 4.48Å; I402-F511 HydrophobicContact CD1-CZ 4.3Å; I402-F511 HydrophobicContact CG2-CE1 4.34Å; W450-F511 HydrophobicContact CE3-CB 3.8Å; W450-F511 HydrophobicContact CZ3-CB 4.15Å; I451-F511 HydrophobicContact CD1-CD1 4.31Å; I451-F511 HydrophobicContact CD1-CE1 3.99Å; I451-F511 HydrophobicContact CD1-CE2 3.96Å; I451-F511 HydrophobicContact CD1-CZ 3.75Å; I451-F511 HydrophobicContact CG1-CD1 4Å; I451-F511 HydrophobicContact CG1-CD2 4.46Å; I451-F511 HydrophobicContact CG1-CE1 3.47Å; I451-F511 VanDerWaalsContact CG1-CE1 3.4Å; I451-F511 HydrophobicContact CG1-CE2 4.29Å; I451-F511 HydrophobicContact CG1-CG 4.17Å; I451-F511 HydrophobicContact CG1-CZ 3.75Å; I454-F511 HydrophobicContact CD1-CB 4.03Å; I454-F511 HydrophobicContact CD1-CD1 3.7Å; I454-F511 HydrophobicContact CD1-CG 4.34Å; I454-F511 WeakPolarHBondContact CD1-O 3.12Å; A507-F511 HydrophobicContact CB-CE2 4.46Å; A507-F511 WeakPolarHBondContact O-CD2 3.21Å; A507-F511 PolarHBondContact O-N 3.27Å; A507-F511 VanDerWaalsContact O-N 3.08Å; T508-F511 PolarHBondContact O-N 3.24Å; F511-R514 PolarHBondContact O-N 2.99Å; F511-L515 VanDerWaalsContact O-CB 3.23Å; F511-L515 WeakPolarHBondContact O-CB 3.38Å; F511-L515 PolarHBondContact O-N 2.95Å |
| 512 | G | 75.5 | Confident | 71.6 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V484 T508 T509 Y510 R514 L515 L516 | V484-G512 WeakPolarHBondContact CG1-O 3.35Å; T508-G512 PolarHBondContact O-N 3.31Å; T509-G512 PolarHBondContact O-N 3.28Å; Y510-G512 VanDerWaalsContact C-N 3.29Å; Y510-G512 PolarHBondContact O-N 3.3Å; G512-R514 VanDerWaalsContact C-N 3.29Å; G512-R514 PolarHBondContact O-N 3.34Å; G512-L515 PolarHBondContact O-N 3.19Å; G512-L516 PolarHBondContact O-N 3.22Å |
| 513 | L | 80.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.5 | -39 | 176.5 | -74.1 | 168.9 | 0 | 0 | 0 | 111.8 | L488 T509 Y510 L516 A517 W540 I558 P561 T562 L565 | L488-L513 HydrophobicContact CD1-CD2 4.06Å; L488-L513 HydrophobicContact CD1-CG 4.2Å; T509-L513 HydrophobicContact CG2-CD1 4.1Å; T509-L513 WeakPolarHBondContact O-CG 3.35Å; T509-L513 PolarHBondContact O-N 3Å; Y510-L513 PolarHBondContact O-N 3.24Å; L513-L516 PolarHBondContact O-N 3.32Å; L513-A517 WeakPolarHBondContact O-CB 3.25Å; L513-A517 PolarHBondContact O-N 2.96Å; L513-W540 HydrophobicContact CD2-CH2 4Å; L513-W540 HydrophobicContact CD2-CZ3 4.03Å; L513-I558 HydrophobicContact CD1-CG2 4.3Å; L513-P561 HydrophobicContact CB-CB 3.75Å; L513-P561 HydrophobicContact CB-CG 4.15Å; L513-P561 HydrophobicContact CD1-CB 4.32Å; L513-P561 HydrophobicContact CD1-CG 3.97Å; L513-T562 HydrophobicContact CD1-CG2 3.98Å; L513-T562 HydrophobicContact CD2-CG2 4.27Å; L513-L565 HydrophobicContact CD2-CD2 4.07Å |
| 514 | R | 79.8 | Confident | 71.8 | Confident | 12.5 Ų | 12.5 | 15.8 Ų | 15.8 | 5% | 0.047 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.7 | -40.5 | 178.2 | -165.5 | 60.9 | 169.1 | 148.4 | -9.6 | 112.4 | E403 I454 Y510 F511 G512 L516 A517 N518 S564 | E403-R514 VanDerWaalsContact OE1-CD 3.32Å; E403-R514 WeakPolarHBondContact OE1-CD 3.38Å; E403-R514 IonicContact OE1-CZ 2.8Å; E403-R514 IonicContact OE1-NE 3.23Å; E403-R514 PolarHBondContact OE1-NE 3.18Å; E403-R514 IonicContact OE1-NH2 3.61Å; E403-R514 IonicContact OE2-CZ 2.78Å; E403-R514 IonicContact OE2-NE 3.46Å; E403-R514 PolarHBondContact OE2-NE 3.17Å; E403-R514 IonicContact OE2-NH2 3.74Å; E403-R514 PolarHBondContact OE2-NH2 3.08Å; I454-R514 HydrophobicContact CD1-CB 4.08Å; I454-R514 HydrophobicContact CD1-CG 4.29Å; I454-R514 HydrophobicContact CG1-CB 4.46Å; I454-R514 HydrophobicContact CG1-CG 4.43Å; I454-R514 HydrophobicContact CG2-CG 3.75Å; Y510-R514 PolarHBondContact O-N 3.22Å; F511-R514 PolarHBondContact O-N 2.99Å; G512-R514 VanDerWaalsContact C-N 3.29Å; G512-R514 PolarHBondContact O-N 3.34Å; R514-L516 VanDerWaalsContact C-N 3.33Å; R514-A517 PolarHBondContact O-N 3Å; R514-N518 PolarHBondContact O-N 3.26Å; R514-S564 PolarHBondContact NH1-OG 3.38Å |
| 515 | L | 76.3 | Confident | 71.4 | Confident | 2.5 Ų | 2.5 | 15.5 Ų | 15.5 | 1% | 0.013 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.5 | -166.2 | 146.4 | 0 | 0 | 0 | 110.9 | W450 F453 I454 W457 V484 F511 G512 N518 A519 | W450-L515 HydrophobicContact CB-CD1 3.88Å; W450-L515 HydrophobicContact CG-CD1 3.93Å; F453-L515 HydrophobicContact CB-CD1 3.91Å; I454-L515 HydrophobicContact CD1-CB 4.22Å; I454-L515 HydrophobicContact CG1-CB 4Å; I454-L515 HydrophobicContact CG1-CD1 4.21Å; I454-L515 HydrophobicContact CG1-CG 4.29Å; W457-L515 HydrophobicContact CE3-CD1 4.39Å; W457-L515 HydrophobicContact CE3-CG 4.08Å; W457-L515 HydrophobicContact CZ3-CD1 3.77Å; W457-L515 HydrophobicContact CZ3-CD2 3.86Å; W457-L515 HydrophobicContact CZ3-CG 3.66Å; V484-L515 HydrophobicContact CB-CD2 4.33Å; V484-L515 HydrophobicContact CG2-CD2 3.72Å; F511-L515 VanDerWaalsContact O-CB 3.23Å; F511-L515 WeakPolarHBondContact O-CB 3.38Å; F511-L515 PolarHBondContact O-N 2.95Å; G512-L515 PolarHBondContact O-N 3.19Å; L515-N518 PolarHBondContact O-N 2.94Å; L515-A519 VanDerWaalsContact O-CB 3.25Å; L515-A519 WeakPolarHBondContact O-CB 3.42Å; L515-A519 PolarHBondContact O-N 2.94Å |
| 516 | L | 76.8 | Confident | 70.6 | Confident | 0.5 Ų | 0.5 | 12.6 Ų | 12.6 | 0% | 0.003 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 170.6 | -77.1 | -177.4 | 0 | 0 | 0 | 111.9 | F481 V484 F485 L488 G512 L513 R514 N518 A519 V520 L565 | F481-L516 HydrophobicContact CB-CD2 4.45Å; F481-L516 HydrophobicContact CD2-CD2 3.67Å; F481-L516 HydrophobicContact CE2-CD2 4.14Å; F481-L516 HydrophobicContact CG-CD2 4.17Å; F481-L516 WeakPolarHBondContact O-CD2 3.35Å; V484-L516 HydrophobicContact CB-CD2 4.04Å; V484-L516 HydrophobicContact CB-CG 4.23Å; V484-L516 HydrophobicContact CG1-CD1 4.35Å; V484-L516 HydrophobicContact CG1-CD2 4.17Å; V484-L516 HydrophobicContact CG1-CG 3.8Å; F485-L516 HydrophobicContact CB-CD2 4.28Å; F485-L516 HydrophobicContact CD2-CD1 4.49Å; L488-L516 HydrophobicContact CD1-CD1 3.48Å; L488-L516 VanDerWaalsContact CD1-CD1 3.46Å; L488-L516 HydrophobicContact CD1-CG 4.25Å; G512-L516 PolarHBondContact O-N 3.22Å; L513-L516 PolarHBondContact O-N 3.32Å; R514-L516 VanDerWaalsContact C-N 3.33Å; L516-N518 VanDerWaalsContact C-N 3.32Å; L516-N518 PolarHBondContact O-N 3.01Å; L516-A519 PolarHBondContact O-N 3.22Å; L516-V520 WeakPolarHBondContact O-CB 3.24Å; L516-V520 VanDerWaalsContact O-CG2 3.24Å; L516-V520 WeakPolarHBondContact O-CG2 3.22Å; L516-V520 PolarHBondContact O-N 3.14Å; L516-L565 HydrophobicContact CB-CD1 3.81Å; L516-L565 VanDerWaalsContact CB-CD1 3.48Å; L516-L565 HydrophobicContact CB-CD2 4.45Å; L516-L565 HydrophobicContact CD1-CD1 4.27Å |
| 517 | A | 76.8 | Confident | 69.9 | Low | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L513 R514 V520 I521 L565 S568 | L513-A517 WeakPolarHBondContact O-CB 3.25Å; L513-A517 PolarHBondContact O-N 2.96Å; R514-A517 PolarHBondContact O-N 3Å; A517-V520 PolarHBondContact O-N 3.16Å; A517-I521 WeakPolarHBondContact O-CD1 3.44Å; A517-I521 VanDerWaalsContact O-CG1 3.31Å; A517-I521 WeakPolarHBondContact O-CG1 3.37Å; A517-I521 PolarHBondContact O-N 3.19Å; A517-I521 VanDerWaalsContact O-N 3.16Å; A517-L565 HydrophobicContact CB-CB 4Å; A517-L565 HydrophobicContact CB-CD1 4.15Å; A517-L565 HydrophobicContact CB-CG 4.32Å; A517-S568 PolarHBondContact O-OG 3.41Å |
| 518 | N | 73.5 | Confident | 69.3 | Low | 2.5 Ų | 2.5 | 25.3 Ų | 25.3 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.6 | -38.2 | 177.3 | -72.2 | -11.9 | 0 | 0 | 0 | 112.1 | I454 W457 R514 L515 L516 V520 I521 T522 Y609 | I454-N518 PolarHBondContact O-ND2 3.19Å; W457-N518 HydrophobicContact CB-CB 4.03Å; R514-N518 PolarHBondContact O-N 3.26Å; L515-N518 PolarHBondContact O-N 2.94Å; L516-N518 VanDerWaalsContact C-N 3.32Å; L516-N518 PolarHBondContact O-N 3.01Å; N518-V520 VanDerWaalsContact C-N 3.33Å; N518-V520 PolarHBondContact O-N 3.03Å; N518-I521 PolarHBondContact O-N 3.17Å; N518-T522 WeakPolarHBondContact O-CG2 3.2Å; N518-T522 PolarHBondContact O-N 3.17Å; N518-T522 VanDerWaalsContact O-N 3.11Å; N518-T522 PolarHBondContact O-OG1 3.29Å; N518-Y609 PolarHBondContact OD1-OH 3.17Å |
| 519 | A | 73.1 | Confident | 68.7 | Low | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F481 L515 L516 I521 T522 I523 | F481-A519 HydrophobicContact CB-CB 4.49Å; L515-A519 VanDerWaalsContact O-CB 3.25Å; L515-A519 WeakPolarHBondContact O-CB 3.42Å; L515-A519 PolarHBondContact O-N 2.94Å; L516-A519 PolarHBondContact O-N 3.22Å; A519-I521 PolarHBondContact O-N 3.17Å; A519-T522 WeakPolarHBondContact CA-OG1 3.46Å; A519-T522 PolarHBondContact O-N 3.27Å; A519-T522 VanDerWaalsContact O-N 3.17Å; A519-T522 PolarHBondContact O-OG1 3.26Å; A519-I523 VanDerWaalsContact O-CD1 3.25Å; A519-I523 WeakPolarHBondContact O-CD1 3.25Å; A519-I523 WeakPolarHBondContact O-CG1 3.36Å; A519-I523 PolarHBondContact O-N 3.35Å; A519-I523 VanDerWaalsContact O-N 3.16Å |
| 520 | V | 72.9 | Confident | 68.1 | Low | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.8 | -46.8 | 175.5 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | F481 L516 A517 N518 T522 I523 L565 L569 W572 | F481-V520 HydrophobicContact CD2-CG2 4.02Å; F481-V520 HydrophobicContact CE2-CG2 3.79Å; L516-V520 WeakPolarHBondContact O-CB 3.24Å; L516-V520 VanDerWaalsContact O-CG2 3.24Å; L516-V520 WeakPolarHBondContact O-CG2 3.22Å; L516-V520 PolarHBondContact O-N 3.14Å; A517-V520 PolarHBondContact O-N 3.16Å; N518-V520 VanDerWaalsContact C-N 3.33Å; N518-V520 PolarHBondContact O-N 3.03Å; V520-T522 VanDerWaalsContact C-N 3.26Å; V520-T522 PolarHBondContact O-N 2.89Å; V520-I523 PolarHBondContact O-N 3.05Å; V520-L565 HydrophobicContact CG2-CD1 4.15Å; V520-L569 HydrophobicContact CG1-CD2 3.77Å; V520-L569 HydrophobicContact CG1-CG 4.19Å; V520-L569 HydrophobicContact CG2-CD2 4.22Å; V520-W572 VanDerWaalsContact CA-CZ2 3.4Å; V520-W572 HydrophobicContact CB-CH2 3.65Å; V520-W572 HydrophobicContact CB-CZ2 3.79Å; V520-W572 HydrophobicContact CB-CZ3 4.29Å; V520-W572 HydrophobicContact CG1-CD2 4.02Å; V520-W572 HydrophobicContact CG1-CE3 4.07Å; V520-W572 HydrophobicContact CG1-CH2 3.55Å; V520-W572 HydrophobicContact CG1-CZ2 3.47Å; V520-W572 VanDerWaalsContact CG1-CZ2 3.47Å; V520-W572 HydrophobicContact CG1-CZ3 3.87Å; V520-W572 HydrophobicContact CG2-CH2 3.47Å; V520-W572 VanDerWaalsContact CG2-CH2 3.47Å; V520-W572 HydrophobicContact CG2-CZ2 4.15Å; V520-W572 HydrophobicContact CG2-CZ3 3.84Å; V520-W572 WeakPolarHBondContact O-CZ2 3.27Å; V520-W572 PolarHBondContact O-NE1 3.38Å |
| 521 | I | 68.4 | Low | 67.6 | Low | 19 Ų | 19 | 37.9 Ų | 37.9 | 10% | 0.097 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 178.4 | -62.4 | 161 | 0 | 0 | 0 | 111.3 | S461 Q464 A517 N518 A519 I523 S568 Y609 | S461-I521 VanDerWaalsContact CB-CG2 3.49Å; Q464-I521 PolarHBondContact NE2-O 3.31Å; Q464-I521 VanDerWaalsContact NE2-O 3.1Å; A517-I521 WeakPolarHBondContact O-CD1 3.44Å; A517-I521 VanDerWaalsContact O-CG1 3.31Å; A517-I521 WeakPolarHBondContact O-CG1 3.37Å; A517-I521 PolarHBondContact O-N 3.19Å; A517-I521 VanDerWaalsContact O-N 3.16Å; N518-I521 PolarHBondContact O-N 3.17Å; A519-I521 PolarHBondContact O-N 3.17Å; I521-I523 VanDerWaalsContact C-N 3.34Å; I521-I523 PolarHBondContact O-N 3.34Å; I521-I523 VanDerWaalsContact O-N 3.12Å; I521-S568 VanDerWaalsContact CD1-OG 3.23Å; I521-S568 WeakPolarHBondContact CD1-OG 3.39Å; I521-S568 WeakPolarHBondContact CG1-OG 3.32Å; I521-Y609 HydrophobicContact CD1-CD1 3.92Å; I521-Y609 HydrophobicContact CD1-CD2 4.09Å; I521-Y609 HydrophobicContact CD1-CE1 3.41Å; I521-Y609 VanDerWaalsContact CD1-CE1 3.48Å; I521-Y609 HydrophobicContact CD1-CE2 3.57Å; I521-Y609 HydrophobicContact CD1-CG 4.24Å; I521-Y609 WeakPolarHBondContact CD1-OH 3.45Å; I521-Y609 HydrophobicContact CG1-CE1 4.43Å |
| 522 | T | 66.5 | Low | 67.4 | Low | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.9 | -16.7 | -179.4 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | W457 L460 Q464 S477 N518 A519 V520 Q524 | W457-T522 HydrophobicContact CB-CG2 4.19Å; W457-T522 HydrophobicContact CG-CG2 4.39Å; W457-T522 PolarHBondContact NE1-OG1 3.21Å; W457-T522 WeakPolarHBondContact O-CG2 3.38Å; L460-T522 HydrophobicContact CB-CG2 4.21Å; Q464-T522 VanDerWaalsContact NE2-CA 3.32Å; Q464-T522 PolarHBondContact NE2-O 3.33Å; S477-T522 VanDerWaalsContact CB-OG1 3.28Å; S477-T522 WeakPolarHBondContact CB-OG1 3.36Å; N518-T522 WeakPolarHBondContact O-CG2 3.2Å; N518-T522 PolarHBondContact O-N 3.17Å; N518-T522 VanDerWaalsContact O-N 3.11Å; N518-T522 PolarHBondContact O-OG1 3.29Å; A519-T522 WeakPolarHBondContact CA-OG1 3.46Å; A519-T522 PolarHBondContact O-N 3.27Å; A519-T522 VanDerWaalsContact O-N 3.17Å; A519-T522 PolarHBondContact O-OG1 3.26Å; V520-T522 VanDerWaalsContact C-N 3.26Å; V520-T522 PolarHBondContact O-N 2.89Å; T522-Q524 PolarHBondContact O-N 2.8Å |
| 523 | I | 66.3 | Low | 67.1 | Low | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -102.3 | 64.2 | -179.7 | -49.3 | 155.9 | 0 | 0 | 0 | 110.3 | Q474 S477 A478 A519 V520 I521 D525 F526 W572 | Q474-I523 HydrophobicContact CG-CG2 3.99Å; S477-I523 VanDerWaalsContact CB-CG1 3.5Å; S477-I523 WeakPolarHBondContact OG-CD1 3.44Å; S477-I523 WeakPolarHBondContact OG-CG1 3.26Å; A478-I523 HydrophobicContact CB-CD1 4.37Å; A519-I523 VanDerWaalsContact O-CD1 3.25Å; A519-I523 WeakPolarHBondContact O-CD1 3.25Å; A519-I523 WeakPolarHBondContact O-CG1 3.36Å; A519-I523 PolarHBondContact O-N 3.35Å; A519-I523 VanDerWaalsContact O-N 3.16Å; V520-I523 PolarHBondContact O-N 3.05Å; I521-I523 VanDerWaalsContact C-N 3.34Å; I521-I523 PolarHBondContact O-N 3.34Å; I521-I523 VanDerWaalsContact O-N 3.12Å; I523-D525 PolarHBondContact O-N 3.48Å; I523-F526 HydrophobicContact CB-CD2 3.81Å; I523-F526 HydrophobicContact CB-CE2 3.59Å; I523-F526 VanDerWaalsContact CB-CE2 3.5Å; I523-F526 HydrophobicContact CB-CG 4.44Å; I523-F526 HydrophobicContact CB-CZ 4.29Å; I523-F526 HydrophobicContact CD1-CD2 4.31Å; I523-F526 HydrophobicContact CD1-CE2 3.4Å; I523-F526 VanDerWaalsContact CD1-CE2 3.45Å; I523-F526 HydrophobicContact CD1-CZ 3.77Å; I523-F526 HydrophobicContact CG1-CE2 4.02Å; I523-F526 HydrophobicContact CG1-CZ 4.33Å; I523-F526 HydrophobicContact CG2-CB 4.44Å; I523-F526 HydrophobicContact CG2-CD1 3.65Å; I523-F526 HydrophobicContact CG2-CD2 3.24Å; I523-F526 HydrophobicContact CG2-CE1 3.7Å; I523-F526 HydrophobicContact CG2-CE2 3.23Å; I523-F526 HydrophobicContact CG2-CG 3.89Å; I523-F526 VanDerWaalsContact CG2-CG 3.42Å; I523-F526 HydrophobicContact CG2-CZ 3.88Å; I523-F526 PolarHBondContact O-N 3.09Å; I523-W572 HydrophobicContact CB-CZ2 4.15Å; I523-W572 WeakPolarHBondContact O-CH2 3.42Å; I523-W572 WeakPolarHBondContact O-CZ2 3.29Å; I523-W572 PolarHBondContact O-NE1 3.23Å | ||
| 524 | Q | 58.3 | Low | 66.6 | Low | 79.5 Ų | 79.5 | 42.8 Ų | 42.8 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | trans | -57.1 | -30.5 | -176.2 | -77.8 | 177.5 | -7.7 | 0 | 0 | 115 | T522 | T522-Q524 PolarHBondContact O-N 2.8Š| ||
| 525 | D | 55.4 | Low | 66.3 | Low | 84 Ų | 84 | 47.1 Ų | 47.1 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | trans | -112.3 | 62.4 | -175.7 | -65.7 | -43.8 | 0 | 0 | 0 | 113.8 | K470 I523 S527 | K470-D525 WeakPolarHBondContact CE-OD2 3.27Å; K470-D525 IonicContact NZ-OD2 3.54Å; K470-D525 PolarHBondContact NZ-OD2 3.44Å; I523-D525 PolarHBondContact O-N 3.48Å; D525-S527 PolarHBondContact O-N 2.99Å | ||
| 526 | F | 52 | Low | 66.3 | Low | 26.5 Ų | 26.5 | 49.3 Ų | 49.3 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -78 | 27.6 | 169 | -88.8 | -80.6 | 0 | 0 | 0 | 113.1 | A478 I523 L528 Y529 W572 | A478-F526 HydrophobicContact CB-CE1 4.07Å; A478-F526 HydrophobicContact CB-CZ 3.74Å; I523-F526 HydrophobicContact CB-CD2 3.81Å; I523-F526 HydrophobicContact CB-CE2 3.59Å; I523-F526 VanDerWaalsContact CB-CE2 3.5Å; I523-F526 HydrophobicContact CB-CG 4.44Å; I523-F526 HydrophobicContact CB-CZ 4.29Å; I523-F526 HydrophobicContact CD1-CD2 4.31Å; I523-F526 HydrophobicContact CD1-CE2 3.4Å; I523-F526 VanDerWaalsContact CD1-CE2 3.45Å; I523-F526 HydrophobicContact CD1-CZ 3.77Å; I523-F526 HydrophobicContact CG1-CE2 4.02Å; I523-F526 HydrophobicContact CG1-CZ 4.33Å; I523-F526 HydrophobicContact CG2-CB 4.44Å; I523-F526 HydrophobicContact CG2-CD1 3.65Å; I523-F526 HydrophobicContact CG2-CD2 3.24Å; I523-F526 HydrophobicContact CG2-CE1 3.7Å; I523-F526 HydrophobicContact CG2-CE2 3.23Å; I523-F526 HydrophobicContact CG2-CG 3.89Å; I523-F526 VanDerWaalsContact CG2-CG 3.42Å; I523-F526 HydrophobicContact CG2-CZ 3.88Å; I523-F526 PolarHBondContact O-N 3.09Å; F526-L528 PolarHBondContact O-N 3.43Å; F526-Y529 VanDerWaalsContact CB-CB 3.45Å; F526-Y529 HydrophobicContact CB-CG 4.4Å; F526-Y529 AromaticContact CD1-CD2 3.49Å; F526-Y529 HydrophobicContact CD1-CD2 3.49Å; F526-Y529 HydrophobicContact CD1-CE2 4.25Å; F526-Y529 AromaticContact CD1-CG 3.56Å; F526-Y529 HydrophobicContact CD1-CG 3.56Å; F526-Y529 HydrophobicContact CD2-CG 4.43Å; F526-Y529 HydrophobicContact CE1-CD1 4.19Å; F526-Y529 AromaticContact CE1-CD2 3.35Å; F526-Y529 HydrophobicContact CE1-CD2 3.35Å; F526-Y529 AromaticContact CE1-CE2 3.6Å; F526-Y529 HydrophobicContact CE1-CE2 3.9Å; F526-Y529 AromaticContact CE1-CG 3.53Å; F526-Y529 HydrophobicContact CE1-CG 3.53Å; F526-Y529 VanDerWaalsContact CE1-CG 3.47Å; F526-Y529 HydrophobicContact CG-CD2 4.26Å; F526-Y529 AromaticContact CG-CG 3.96Å; F526-Y529 HydrophobicContact CG-CG 3.96Å; F526-Y529 HydrophobicContact CZ-CD1 4.44Å; F526-Y529 AromaticContact CZ-CD2 3.95Å; F526-Y529 HydrophobicContact CZ-CD2 4.07Å; F526-Y529 HydrophobicContact CZ-CE2 4.31Å; F526-Y529 HydrophobicContact CZ-CG 4.28Å; F526-Y529 PolarHBondContact O-N 3.43Å; F526-W572 HydrophobicContact CB-CH2 3.13Å; F526-W572 HydrophobicContact CB-CZ2 4.36Å; F526-W572 HydrophobicContact CB-CZ3 3.32Å; F526-W572 HydrophobicContact CD1-CZ3 4.45Å; F526-W572 HydrophobicContact CD2-CD2 4.07Å; F526-W572 AromaticContact CD2-CE2 3.53Å; F526-W572 HydrophobicContact CD2-CE3 4.17Å; F526-W572 AromaticContact CD2-CH2 3.25Å; F526-W572 HydrophobicContact CD2-CH2 3.25Å; F526-W572 AromaticContact CD2-CZ2 3.42Å; F526-W572 HydrophobicContact CD2-CZ2 3.42Å; F526-W572 AromaticContact CD2-CZ3 3.8Å; F526-W572 HydrophobicContact CD2-CZ3 3.95Å; F526-W572 HydrophobicContact CE1-CH2 4.32Å; F526-W572 HydrophobicContact CE1-CZ3 4.41Å; F526-W572 HydrophobicContact CE2-CE3 4.5Å; F526-W572 AromaticContact CE2-CH2 2.9Å; F526-W572 HydrophobicContact CE2-CH2 3.68Å; F526-W572 AromaticContact CE2-CZ2 3.12Å; F526-W572 HydrophobicContact CE2-CZ2 3.12Å; F526-W572 AromaticContact CE2-CZ3 3.69Å; F526-W572 HydrophobicContact CE2-CZ3 3.69Å; F526-W572 HydrophobicContact CG-CD2 4.42Å; F526-W572 HydrophobicContact CG-CE3 4.37Å; F526-W572 AromaticContact CG-CH2 3.56Å; F526-W572 HydrophobicContact CG-CH2 3.83Å; F526-W572 HydrophobicContact CG-CZ2 4.29Å; F526-W572 HydrophobicContact CG-CZ3 4.2Å; F526-W572 AromaticContact CZ-CH2 3.55Å; F526-W572 HydrophobicContact CZ-CH2 3.55Å; F526-W572 HydrophobicContact CZ-CZ2 4.2Å; F526-W572 HydrophobicContact CZ-CZ3 4.04Å; F526-W572 VanDerWaalsContact N-CH2 3.27Å |
| 527 | S | 53.8 | Low | 66.3 | Low | 111.5 Ų | 111.5 | 49.3 Ų | 49.3 | 78% | 0.78 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -58.7 | -16.1 | 173.8 | 58 | 0 | 0 | 0 | 0 | 113.4 | D525 | D525-S527 PolarHBondContact O-N 2.99Š|
| 528 | L | 53.5 | Low | 66.1 | Low | 160.5 Ų | 160.5 | 49.9 Ų | 49.9 | 84% | 0.84 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -97.9 | 1.4 | 179.9 | -68.1 | 167 | 0 | 0 | 0 | 114.8 | F526 | F526-L528 PolarHBondContact O-N 3.43Š|
| 529 | Y | 58.1 | Low | 66.4 | Low | 87.5 Ų | 87.5 | 53.4 Ų | 53.4 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -107 | 147.4 | -175.8 | -114.3 | -89.5 | 0 | 0 | 0 | 112.5 | A478 H482 F526 T531 | A478-Y529 HydrophobicContact CB-CE2 4.47Å; A478-Y529 VanDerWaalsContact CB-OH 3.28Å; A478-Y529 WeakPolarHBondContact CB-OH 3.16Å; H482-Y529 PolarHBondContact CD2-OH 3.36Å; H482-Y529 AromaticContact CE1-CE1 3.71Å; H482-Y529 AromaticContact CE1-CZ 3.98Å; H482-Y529 PolarHBondContact CE1-OH 2.99Å; H482-Y529 AromaticContact NE2-CE1 3.25Å; H482-Y529 VanDerWaalsContact NE2-CE1 3.25Å; H482-Y529 WeakPolarHBondContact NE2-CE1 3.44Å; H482-Y529 AromaticContact NE2-CZ 3.57Å; H482-Y529 PolarHBondContact NE2-OH 3.45Å; F526-Y529 VanDerWaalsContact CB-CB 3.45Å; F526-Y529 HydrophobicContact CB-CG 4.4Å; F526-Y529 AromaticContact CD1-CD2 3.49Å; F526-Y529 HydrophobicContact CD1-CD2 3.49Å; F526-Y529 HydrophobicContact CD1-CE2 4.25Å; F526-Y529 AromaticContact CD1-CG 3.56Å; F526-Y529 HydrophobicContact CD1-CG 3.56Å; F526-Y529 HydrophobicContact CD2-CG 4.43Å; F526-Y529 HydrophobicContact CE1-CD1 4.19Å; F526-Y529 AromaticContact CE1-CD2 3.35Å; F526-Y529 HydrophobicContact CE1-CD2 3.35Å; F526-Y529 AromaticContact CE1-CE2 3.6Å; F526-Y529 HydrophobicContact CE1-CE2 3.9Å; F526-Y529 AromaticContact CE1-CG 3.53Å; F526-Y529 HydrophobicContact CE1-CG 3.53Å; F526-Y529 VanDerWaalsContact CE1-CG 3.47Å; F526-Y529 HydrophobicContact CG-CD2 4.26Å; F526-Y529 AromaticContact CG-CG 3.96Å; F526-Y529 HydrophobicContact CG-CG 3.96Å; F526-Y529 HydrophobicContact CZ-CD1 4.44Å; F526-Y529 AromaticContact CZ-CD2 3.95Å; F526-Y529 HydrophobicContact CZ-CD2 4.07Å; F526-Y529 HydrophobicContact CZ-CE2 4.31Å; F526-Y529 HydrophobicContact CZ-CG 4.28Å; F526-Y529 PolarHBondContact O-N 3.43Å; Y529-T531 PolarHBondContact O-N 2.85Å; Y529-T531 VanDerWaalsContact O-N 3.14Å |
| 530 | D | 60.9 | Low | 66.7 | Low | 113 Ų | 113 | 54.3 Ų | 54.3 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | trans | -63.3 | 120.9 | -174.9 | -119.1 | -8.2 | 0 | 0 | 0 | 111.1 | S532 V533 | D530-S532 WeakPolarHBondContact CB-OG 3.3Å; D530-S532 PolarHBondContact O-N 3.22Å; D530-S532 PolarHBondContact OD1-OG 2.67Å; D530-S532 PolarHBondContact OD2-OG 3.31Å; D530-V533 HydrophobicContact CB-CG2 4.45Å; D530-V533 PolarHBondContact O-N 3Å | ||
| 531 | T | 67.1 | Low | 67.1 | Low | 77.5 Ų | 77.5 | 54.2 Ų | 54.2 | 48% | 0.475 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.3 | -20 | 177 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | Y529 V533 L534 Q535 | Y529-T531 PolarHBondContact O-N 2.85Å; Y529-T531 VanDerWaalsContact O-N 3.14Å; T531-V533 VanDerWaalsContact C-N 3.34Å; T531-V533 PolarHBondContact O-N 3.31Å; T531-L534 PolarHBondContact O-N 3.18Å; T531-Q535 WeakPolarHBondContact O-CG 3.44Å; T531-Q535 PolarHBondContact O-N 3.21Å |
| 532 | S | 69.4 | Low | 67.5 | Low | 56.5 Ų | 56.5 | 57.7 Ų | 57.7 | 40% | 0.395 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 174.7 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | D530 Q535 S536 | D530-S532 WeakPolarHBondContact CB-OG 3.3Å; D530-S532 PolarHBondContact O-N 3.22Å; D530-S532 PolarHBondContact OD1-OG 2.67Å; D530-S532 PolarHBondContact OD2-OG 3.31Å; S532-Q535 PolarHBondContact O-N 3.13Å; S532-S536 WeakPolarHBondContact O-CB 3.28Å; S532-S536 PolarHBondContact O-N 3.3Å; S532-S536 PolarHBondContact O-OG 3.27Å |
| 533 | V | 70.2 | Confident | 68.1 | Low | 29.5 Ų | 29.5 | 60.8 Ų | 60.8 | 18% | 0.179 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.7 | -39.7 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | F481 D530 T531 S536 L537 | F481-V533 HydrophobicContact CE1-CG1 3.81Å; F481-V533 HydrophobicContact CZ-CG1 4.43Å; D530-V533 HydrophobicContact CB-CG2 4.45Å; D530-V533 PolarHBondContact O-N 3Å; T531-V533 VanDerWaalsContact C-N 3.34Å; T531-V533 PolarHBondContact O-N 3.31Å; V533-S536 WeakPolarHBondContact CA-OG 3.3Å; V533-S536 PolarHBondContact O-N 3.33Å; V533-S536 PolarHBondContact O-OG 3.46Å; V533-L537 WeakPolarHBondContact O-CB 3.44Å; V533-L537 PolarHBondContact O-N 3.22Å |
| 534 | L | 69.9 | Low | 68.5 | Low | 21.5 Ų | 21.5 | 60.6 Ų | 60.6 | 11% | 0.113 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 174.7 | -119.5 | 130.1 | 0 | 0 | 0 | 110.9 | T531 S536 L537 I538 L569 W572 F573 V578 | T531-L534 PolarHBondContact O-N 3.18Å; L534-S536 VanDerWaalsContact C-N 3.28Å; L534-S536 PolarHBondContact O-N 2.89Å; L534-L537 PolarHBondContact O-N 3.37Å; L534-I538 HydrophobicContact CD2-CD1 4.06Å; L534-I538 HydrophobicContact CG-CD1 4.48Å; L534-I538 VanDerWaalsContact O-CD1 3.32Å; L534-I538 WeakPolarHBondContact O-CD1 3.39Å; L534-I538 VanDerWaalsContact O-CG1 3.23Å; L534-I538 WeakPolarHBondContact O-CG1 3.4Å; L534-I538 PolarHBondContact O-N 2.96Å; L534-L569 HydrophobicContact CD2-CD2 3.65Å; L534-W572 HydrophobicContact CD1-CB 4.36Å; L534-W572 HydrophobicContact CD1-CD2 4.48Å; L534-W572 HydrophobicContact CD1-CE3 3.87Å; L534-W572 HydrophobicContact CD1-CZ3 4.18Å; L534-F573 HydrophobicContact CD2-CD1 3.87Å; L534-F573 HydrophobicContact CD2-CE1 3.51Å; L534-F573 HydrophobicContact CG-CE1 4.44Å; L534-V578 HydrophobicContact CD2-CB 3.94Å; L534-V578 HydrophobicContact CD2-CG1 4.02Å; L534-V578 HydrophobicContact CD2-CG2 3.89Å |
| 535 | Q | 72.8 | Confident | 69.1 | Low | 102.5 Ų | 102.5 | 61.9 Ų | 61.9 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 175.1 | -75.3 | -179.9 | -10.4 | 0 | 0 | 112.3 | T531 S532 I538 T539 V578 | T531-Q535 WeakPolarHBondContact O-CG 3.44Å; T531-Q535 PolarHBondContact O-N 3.21Å; S532-Q535 PolarHBondContact O-N 3.13Å; Q535-I538 PolarHBondContact O-N 3.33Å; Q535-T539 WeakPolarHBondContact O-CB 3.11Å; Q535-T539 WeakPolarHBondContact O-CG2 3.35Å; Q535-T539 PolarHBondContact O-N 3.02Å; Q535-T539 PolarHBondContact O-OG1 3.09Å; Q535-V578 HydrophobicContact CG-CG1 3.89Å |
| 536 | S | 75.6 | Confident | 69.7 | Low | 47.5 Ų | 47.5 | 62.6 Ų | 62.6 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 176.4 | 76.5 | 0 | 0 | 0 | 0 | 111.7 | F485 S532 V533 L534 T539 W540 | F485-S536 WeakPolarHBondContact CE1-OG 3.29Å; S532-S536 WeakPolarHBondContact O-CB 3.28Å; S532-S536 PolarHBondContact O-N 3.3Å; S532-S536 PolarHBondContact O-OG 3.27Å; V533-S536 WeakPolarHBondContact CA-OG 3.3Å; V533-S536 PolarHBondContact O-N 3.33Å; V533-S536 PolarHBondContact O-OG 3.46Å; L534-S536 VanDerWaalsContact C-N 3.28Å; L534-S536 PolarHBondContact O-N 2.89Å; S536-T539 VanDerWaalsContact CA-OG1 3.32Å; S536-T539 WeakPolarHBondContact CA-OG1 3.4Å; S536-T539 PolarHBondContact O-N 3.44Å; S536-T539 PolarHBondContact O-OG1 3.33Å; S536-W540 VanDerWaalsContact O-CB 3.25Å; S536-W540 WeakPolarHBondContact O-CB 3.35Å; S536-W540 PolarHBondContact O-N 3.04Å |
| 537 | L | 76.8 | Confident | 70.5 | Confident | 1.5 Ų | 1.5 | 64.5 Ų | 64.5 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 175.9 | -173.6 | 151.7 | 0 | 0 | 0 | 111.5 | F481 F485 V533 L534 W540 L541 L565 L569 | F481-L537 HydrophobicContact CE2-CD1 3.65Å; F481-L537 HydrophobicContact CZ-CD1 3.49Å; F481-L537 VanDerWaalsContact CZ-CD1 3.49Å; F485-L537 HydrophobicContact CD2-CB 4.42Å; F485-L537 HydrophobicContact CD2-CD1 3.92Å; F485-L537 HydrophobicContact CD2-CG 4.25Å; F485-L537 HydrophobicContact CE2-CB 3.74Å; F485-L537 HydrophobicContact CE2-CD1 3.98Å; F485-L537 HydrophobicContact CE2-CG 3.8Å; F485-L537 HydrophobicContact CZ-CB 3.99Å; F485-L537 HydrophobicContact CZ-CG 4.49Å; V533-L537 WeakPolarHBondContact O-CB 3.44Å; V533-L537 PolarHBondContact O-N 3.22Å; L534-L537 PolarHBondContact O-N 3.37Å; L537-W540 WeakPolarHBondContact O-CB 3.41Å; L537-W540 PolarHBondContact O-N 2.99Å; L537-L541 HydrophobicContact CD2-CD1 3.46Å; L537-L541 VanDerWaalsContact CD2-CD1 3.46Å; L537-L541 HydrophobicContact CD2-CG 3.99Å; L537-L541 WeakPolarHBondContact O-CB 3.37Å; L537-L541 WeakPolarHBondContact O-CG 3.31Å; L537-L541 PolarHBondContact O-N 3.04Å; L537-L565 HydrophobicContact CD2-CD2 4.1Å; L537-L569 HydrophobicContact CD2-CD1 3.51Å; L537-L569 HydrophobicContact CD2-CD2 4.45Å |
| 538 | I | 74.6 | Confident | 71 | Confident | 11.5 Ų | 11.5 | 59.7 Ų | 59.7 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 176.9 | -65.5 | 156.8 | 0 | 0 | 0 | 111.1 | L534 Q535 W540 L541 K542 F573 V578 M579 | L534-I538 HydrophobicContact CD2-CD1 4.06Å; L534-I538 HydrophobicContact CG-CD1 4.48Å; L534-I538 VanDerWaalsContact O-CD1 3.32Å; L534-I538 WeakPolarHBondContact O-CD1 3.39Å; L534-I538 VanDerWaalsContact O-CG1 3.23Å; L534-I538 WeakPolarHBondContact O-CG1 3.4Å; L534-I538 PolarHBondContact O-N 2.96Å; Q535-I538 PolarHBondContact O-N 3.33Å; I538-W540 PolarHBondContact O-N 3.14Å; I538-L541 PolarHBondContact O-N 3.31Å; I538-K542 HydrophobicContact CG2-CD 4.2Å; I538-K542 HydrophobicContact CG2-CG 4.37Å; I538-K542 WeakPolarHBondContact O-CB 3.36Å; I538-K542 WeakPolarHBondContact O-CG 3.31Å; I538-K542 PolarHBondContact O-N 2.85Å; I538-F573 HydrophobicContact CD1-CE1 3.4Å; I538-F573 VanDerWaalsContact CD1-CE1 3.45Å; I538-F573 HydrophobicContact CD1-CZ 3.69Å; I538-F573 HydrophobicContact CG1-CE1 4.11Å; I538-F573 HydrophobicContact CG1-CZ 3.88Å; I538-V578 HydrophobicContact CD1-CG1 4.04Å; I538-M579 HydrophobicContact CD1-CG 4.2Å; I538-M579 HydrophobicContact CD1-SD 3.8Å; I538-M579 HydrophobicContact CG1-SD 4.13Å; I538-M579 HydrophobicContact CG2-SD 3.72Å |
| 539 | T | 78.5 | Confident | 71.5 | Confident | 76.5 Ų | 76.5 | 59.9 Ų | 59.9 | 47% | 0.469 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 178.4 | -2.2 | 0 | 0 | 0 | 0 | 110.5 | Q535 S536 N543 | Q535-T539 WeakPolarHBondContact O-CB 3.11Å; Q535-T539 WeakPolarHBondContact O-CG2 3.35Å; Q535-T539 PolarHBondContact O-N 3.02Å; Q535-T539 PolarHBondContact O-OG1 3.09Å; S536-T539 VanDerWaalsContact CA-OG1 3.32Å; S536-T539 WeakPolarHBondContact CA-OG1 3.4Å; S536-T539 PolarHBondContact O-N 3.44Å; S536-T539 PolarHBondContact O-OG1 3.33Å; T539-N543 VanDerWaalsContact O-CB 3.3Å; T539-N543 WeakPolarHBondContact O-CB 3.41Å; T539-N543 VanDerWaalsContact O-CG 3.23Å; T539-N543 PolarHBondContact O-N 3.23Å; T539-N543 VanDerWaalsContact O-N 3.1Å; T539-N543 PolarHBondContact O-ND2 3.29Å; T539-N543 VanDerWaalsContact O-ND2 3.1Å |
| 540 | W | 80.2 | Confident | 71.8 | Confident | 19.5 Ų | 19.5 | 57.1 Ų | 57.1 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -52.2 | 172.6 | -178.7 | 73.3 | 0 | 0 | 0 | 111.6 | F485 L488 T489 I492 L513 S536 L537 I538 K542 N543 I544 | F485-W540 HydrophobicContact CE2-CD2 4.46Å; F485-W540 HydrophobicContact CE2-CE3 4.31Å; L488-W540 HydrophobicContact CB-CH2 3.87Å; L488-W540 HydrophobicContact CB-CZ2 4.01Å; L488-W540 HydrophobicContact CD1-CH2 4.37Å; T489-W540 HydrophobicContact CG2-CD2 4.21Å; T489-W540 HydrophobicContact CG2-CG 4.1Å; I492-W540 HydrophobicContact CB-CZ2 4.25Å; I492-W540 HydrophobicContact CD1-CH2 3.68Å; I492-W540 HydrophobicContact CD1-CZ2 3.4Å; I492-W540 VanDerWaalsContact CD1-CZ2 3.41Å; I492-W540 HydrophobicContact CG1-CZ2 4.23Å; I492-W540 HydrophobicContact CG2-CZ2 4.22Å; L513-W540 HydrophobicContact CD2-CH2 4Å; L513-W540 HydrophobicContact CD2-CZ3 4.03Å; S536-W540 VanDerWaalsContact O-CB 3.25Å; S536-W540 WeakPolarHBondContact O-CB 3.35Å; S536-W540 PolarHBondContact O-N 3.04Å; L537-W540 WeakPolarHBondContact O-CB 3.41Å; L537-W540 PolarHBondContact O-N 2.99Å; I538-W540 PolarHBondContact O-N 3.14Å; W540-K542 VanDerWaalsContact C-N 3.31Å; W540-K542 PolarHBondContact O-N 3.11Å; W540-N543 CarbonylContact O-C 3.56Å; W540-N543 WeakPolarHBondContact O-CA 3.14Å; W540-N543 PolarHBondContact O-N 3.4Å; W540-I544 HydrophobicContact CD2-CD1 4.2Å; W540-I544 HydrophobicContact CD2-CG1 4.21Å; W540-I544 HydrophobicContact CE3-CD1 3.88Å; W540-I544 HydrophobicContact CE3-CG1 4.37Å; W540-I544 HydrophobicContact CH2-CD1 3.69Å; W540-I544 HydrophobicContact CH2-CG1 4.4Å; W540-I544 HydrophobicContact CZ2-CD1 4.02Å; W540-I544 HydrophobicContact CZ2-CG1 4.3Å; W540-I544 HydrophobicContact CZ3-CD1 3.61Å; W540-I544 HydrophobicContact CZ3-CG1 4.48Å; W540-I544 WeakPolarHBondContact O-CG1 3.36Å; W540-I544 PolarHBondContact O-N 3.08Å |
| 541 | L | 80.1 | Confident | 72 | Confident | 1.5 Ų | 1.5 | 57.2 Ų | 57.2 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.1 | -41.4 | 176.9 | -73.6 | 177.7 | 0 | 0 | 0 | 112.8 | L537 I538 N543 I544 T562 L565 L566 L569 Y591 | L537-L541 HydrophobicContact CD2-CD1 3.46Å; L537-L541 VanDerWaalsContact CD2-CD1 3.46Å; L537-L541 HydrophobicContact CD2-CG 3.99Å; L537-L541 WeakPolarHBondContact O-CB 3.37Å; L537-L541 WeakPolarHBondContact O-CG 3.31Å; L537-L541 PolarHBondContact O-N 3.04Å; I538-L541 PolarHBondContact O-N 3.31Å; L541-N543 PolarHBondContact O-N 3.14Å; L541-I544 HydrophobicContact CD2-CD1 3.71Å; L541-I544 PolarHBondContact O-N 2.94Å; L541-T562 HydrophobicContact CD2-CG2 4.11Å; L541-L565 HydrophobicContact CD1-CD2 3.81Å; L541-L565 HydrophobicContact CD1-CG 4.29Å; L541-L565 HydrophobicContact CD2-CD2 3.96Å; L541-L565 HydrophobicContact CG-CD2 4.28Å; L541-L566 HydrophobicContact CD1-CD2 3.71Å; L541-L566 HydrophobicContact CD1-CG 4.19Å; L541-L569 HydrophobicContact CD1-CD1 3.99Å; L541-Y591 PolarHBondContact O-OH 3.01Å |
| 542 | K | 77.7 | Confident | 72 | Confident | 91.5 Ų | 91.5 | 60.9 Ų | 60.9 | 40% | 0.398 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 174 | -75.6 | 179.7 | 176.3 | -178.2 | 0 | 111.6 | I538 W540 I587 | I538-K542 HydrophobicContact CG2-CD 4.2Å; I538-K542 HydrophobicContact CG2-CG 4.37Å; I538-K542 WeakPolarHBondContact O-CB 3.36Å; I538-K542 WeakPolarHBondContact O-CG 3.31Å; I538-K542 PolarHBondContact O-N 2.85Å; W540-K542 VanDerWaalsContact C-N 3.31Å; W540-K542 PolarHBondContact O-N 3.11Å; K542-I587 HydrophobicContact CD-CD1 4.25Å; K542-I587 HydrophobicContact CG-CD1 4.02Å; K542-I587 HydrophobicContact CG-CG1 4.46Å |
| 543 | N | 78.1 | Confident | 71.8 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -87 | -15.6 | -176.4 | -70.9 | -25.2 | 0 | 0 | 0 | 114.6 | T539 W540 L541 K545 C546 Q547 | T539-N543 VanDerWaalsContact O-CB 3.3Å; T539-N543 WeakPolarHBondContact O-CB 3.41Å; T539-N543 VanDerWaalsContact O-CG 3.23Å; T539-N543 PolarHBondContact O-N 3.23Å; T539-N543 VanDerWaalsContact O-N 3.1Å; T539-N543 PolarHBondContact O-ND2 3.29Å; T539-N543 VanDerWaalsContact O-ND2 3.1Å; W540-N543 CarbonylContact O-C 3.56Å; W540-N543 WeakPolarHBondContact O-CA 3.14Å; W540-N543 PolarHBondContact O-N 3.4Å; L541-N543 PolarHBondContact O-N 3.14Å; N543-K545 VanDerWaalsContact C-N 3.29Å; N543-K545 PolarHBondContact O-N 3.17Å; N543-C546 WeakPolarHBondContact O-CB 3.22Å; N543-C546 PolarHBondContact O-N 3.05Å; N543-Q547 HydrophobicContact CB-CG 4.39Å; N543-Q547 WeakPolarHBondContact O-CB 3.44Å; N543-Q547 WeakPolarHBondContact O-CG 3.41Å; N543-Q547 PolarHBondContact O-N 3.01Å |
| 544 | I | 75.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -52.6 | -47.7 | -178.1 | -68.2 | -179 | 0 | 0 | 0 | 111 | W540 L541 C546 Q547 V548 W555 I558 T562 | W540-I544 HydrophobicContact CD2-CD1 4.2Å; W540-I544 HydrophobicContact CD2-CG1 4.21Å; W540-I544 HydrophobicContact CE3-CD1 3.88Å; W540-I544 HydrophobicContact CE3-CG1 4.37Å; W540-I544 HydrophobicContact CH2-CD1 3.69Å; W540-I544 HydrophobicContact CH2-CG1 4.4Å; W540-I544 HydrophobicContact CZ2-CD1 4.02Å; W540-I544 HydrophobicContact CZ2-CG1 4.3Å; W540-I544 HydrophobicContact CZ3-CD1 3.61Å; W540-I544 HydrophobicContact CZ3-CG1 4.48Å; W540-I544 WeakPolarHBondContact O-CG1 3.36Å; W540-I544 PolarHBondContact O-N 3.08Å; L541-I544 HydrophobicContact CD2-CD1 3.71Å; L541-I544 PolarHBondContact O-N 2.94Å; I544-C546 PolarHBondContact O-N 3.15Å; I544-Q547 PolarHBondContact O-N 2.99Å; I544-Q547 VanDerWaalsContact O-N 3.12Å; I544-V548 HydrophobicContact CG2-CG2 3.87Å; I544-V548 WeakPolarHBondContact O-CB 3.21Å; I544-V548 VanDerWaalsContact O-CG2 3.32Å; I544-V548 WeakPolarHBondContact O-CG2 3.48Å; I544-V548 PolarHBondContact O-N 3.05Å; I544-W555 HydrophobicContact CG2-CH2 3.87Å; I544-W555 HydrophobicContact CG2-CZ3 4.02Å; I544-I558 HydrophobicContact CG2-CG2 3.72Å; I544-T562 HydrophobicContact CD1-CG2 3.98Å |
| 545 | K | 70.1 | Confident | 72 | Confident | 106 Ų | 106 | 67.7 Ų | 67.7 | 46% | 0.461 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -32.2 | -179.8 | -168.4 | 175.3 | -178.3 | 174.7 | 0 | 113.1 | N543 W555 | N543-K545 VanDerWaalsContact C-N 3.29Å; N543-K545 PolarHBondContact O-N 3.17Å; K545-W555 HydrophobicContact CB-CH2 4.22Å; K545-W555 HydrophobicContact CB-CZ2 4.42Å; K545-W555 HydrophobicContact CG-CH2 4.46Å; K545-W555 HydrophobicContact CG-CZ2 4.32Å |
| 546 | C | 69.4 | Low | 72.1 | Confident | 100.5 Ų | 100.5 | 63.2 Ų | 63.2 | 68% | 0.679 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -83.1 | -30.3 | 177 | -66.4 | 0 | 0 | 0 | 0 | 112.9 | N543 I544 | N543-C546 WeakPolarHBondContact O-CB 3.22Å; N543-C546 PolarHBondContact O-N 3.05Å; I544-C546 PolarHBondContact O-N 3.15Å |
| 547 | Q | 67.7 | Low | 71.9 | Confident | 66.5 Ų | 66.5 | 61.5 Ų | 61.5 | 31% | 0.311 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -84.2 | -29.9 | -175.7 | -72.2 | 179.1 | -7.2 | 0 | 0 | 113.2 | N543 I544 | N543-Q547 HydrophobicContact CB-CG 4.39Å; N543-Q547 WeakPolarHBondContact O-CB 3.44Å; N543-Q547 WeakPolarHBondContact O-CG 3.41Å; N543-Q547 PolarHBondContact O-N 3.01Å; I544-Q547 PolarHBondContact O-N 2.99Å; I544-Q547 VanDerWaalsContact O-N 3.12Å |
| 548 | V | 65.6 | Low | 72 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | trans | -99.3 | 104.3 | -176 | -176 | 0 | 0 | 0 | 0 | 110.1 | I492 F494 I544 C550 W555 I558 | I492-V548 HydrophobicContact CG2-CG2 3.6Å; I492-V548 VanDerWaalsContact CG2-CG2 3.44Å; F494-V548 HydrophobicContact CB-CG1 4.17Å; F494-V548 HydrophobicContact CD2-CB 4.18Å; F494-V548 HydrophobicContact CD2-CG1 3.88Å; F494-V548 HydrophobicContact CD2-CG2 3.87Å; F494-V548 HydrophobicContact CE2-CG1 4.06Å; F494-V548 HydrophobicContact CE2-CG2 3.97Å; F494-V548 HydrophobicContact CG-CG1 4.44Å; I544-V548 HydrophobicContact CG2-CG2 3.87Å; I544-V548 WeakPolarHBondContact O-CB 3.21Å; I544-V548 VanDerWaalsContact O-CG2 3.32Å; I544-V548 WeakPolarHBondContact O-CG2 3.48Å; I544-V548 PolarHBondContact O-N 3.05Å; V548-C550 HydrophobicContact CG1-CB 4.1Å; V548-C550 WeakPolarHBondContact CG1-SG 3.42Å; V548-W555 HydrophobicContact CB-CZ3 3.99Å; V548-W555 HydrophobicContact CG1-CE3 4.3Å; V548-W555 HydrophobicContact CG1-CZ3 4.13Å; V548-W555 HydrophobicContact CG2-CZ3 4.49Å; V548-I558 HydrophobicContact CG1-CD1 3.87Å; V548-I558 HydrophobicContact CG2-CD1 4.26Å | ||
| 549 | K | 62.7 | Low | 72.3 | Confident | 164 Ų | 164 | 60.9 Ų | 60.9 | 71% | 0.713 | 29% | 0.294 | S | S | * | . | trans | -99.5 | 88.9 | 167.7 | -68.5 | -173.2 | 179.7 | -176.7 | 0 | 109.2 | F494 | F494-K549 PolarHBondContact O-N 3.42Š| ||
| 550 | C | 66.2 | Low | 72.3 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | trans | -121.7 | 161.6 | 176.7 | 3.2 | 0 | 0 | 0 | 0 | 110.8 | I501 F506 V548 H554 | I501-C550 VanDerWaalsContact CD1-SG 3.57Å; F506-C550 HydrophobicContact CE1-CB 4.33Å; F506-C550 HydrophobicContact CZ-CB 3.93Å; F506-C550 VanDerWaalsContact CZ-SG 3.54Å; V548-C550 HydrophobicContact CG1-CB 4.1Å; V548-C550 WeakPolarHBondContact CG1-SG 3.42Å; C550-H554 HydrophobicContact CB-CB 4.39Å | ||
| 551 | D | 64.9 | Low | 72.3 | Confident | 115 Ų | 115 | 56.3 Ų | 56.3 | 62% | 0.615 | 27% | 0.268 | S | S | * | . | trans | -58.5 | 143.5 | 170.2 | -73.4 | -21.9 | 0 | 0 | 0 | 110.2 | R553 H554 W555 | D551-R553 PolarHBondContact O-N 2.96Å; D551-H554 PolarHBondContact O-N 3.01Å; D551-W555 PolarHBondContact O-N 3.18Å | ||
| 552 | E | 66.9 | Low | 72.5 | Confident | 153.5 Ų | 153.5 | 56.2 Ų | 56.2 | 72% | 0.717 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -48.3 | -36.2 | 179.5 | -72.3 | 179.8 | 171 | 0 | 0 | 112.5 | H554 W555 L598 | E552-H554 VanDerWaalsContact C-N 3.33Å; E552-H554 PolarHBondContact O-N 3.1Å; E552-W555 WeakPolarHBondContact O-CB 3.47Å; E552-W555 PolarHBondContact O-N 2.94Å; E552-L598 HydrophobicContact CB-CD2 3.75Å; E552-L598 HydrophobicContact CG-CD2 4.4Å; E552-L598 VanDerWaalsContact O-CD2 3.26Å; E552-L598 WeakPolarHBondContact O-CD2 3.42Å |
| 553 | R | 65.2 | Low | 72.7 | Confident | 175.5 Ų | 175.5 | 51.9 Ų | 51.9 | 66% | 0.662 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58.7 | -39.5 | 176.9 | -62.6 | -177 | -176.1 | 177.8 | 0.2 | 113.4 | P395 D551 | P395-R553 WeakPolarHBondContact CG-O 3.47Å; D551-R553 PolarHBondContact O-N 2.96Å |
| 554 | H | 69.3 | Low | 72.8 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 22% | 0.222 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -85.1 | -19 | -178.3 | -63.3 | 92 | 0 | 0 | 0 | 112.4 | F506 C550 D551 E552 I556 Y557 | F506-H554 HydrophobicContact CD1-CB 4.38Å; F506-H554 HydrophobicContact CD2-CB 4.16Å; F506-H554 AromaticContact CD2-CD2 3.54Å; F506-H554 VanDerWaalsContact CD2-CD2 3.5Å; F506-H554 WeakPolarHBondContact CD2-CD2 3.33Å; F506-H554 HydrophobicContact CE1-CB 4.01Å; F506-H554 HydrophobicContact CE2-CB 3.72Å; F506-H554 AromaticContact CE2-CD2 3.54Å; F506-H554 VanDerWaalsContact CE2-CD2 3.48Å; F506-H554 WeakPolarHBondContact CE2-CD2 3.21Å; F506-H554 AromaticContact CE2-CG 3.68Å; F506-H554 HydrophobicContact CG-CB 4.46Å; F506-H554 HydrophobicContact CZ-CB 3.66Å; C550-H554 HydrophobicContact CB-CB 4.39Å; D551-H554 PolarHBondContact O-N 3.01Å; E552-H554 VanDerWaalsContact C-N 3.33Å; E552-H554 PolarHBondContact O-N 3.1Å; H554-I556 PolarHBondContact O-N 3.42Å; H554-Y557 PolarHBondContact O-N 3.41Å; H554-Y557 VanDerWaalsContact O-N 3.15Å |
| 555 | W | 74.7 | Confident | 73.1 | Confident | 28.5 Ų | 28.5 | 48.5 Ų | 48.5 | 11% | 0.108 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -27.5 | 177.6 | -176.1 | -122.8 | 0 | 0 | 0 | 112.3 | I544 K545 V548 D551 E552 Y557 I558 C559 Y591 L598 | I544-W555 HydrophobicContact CG2-CH2 3.87Å; I544-W555 HydrophobicContact CG2-CZ3 4.02Å; K545-W555 HydrophobicContact CB-CH2 4.22Å; K545-W555 HydrophobicContact CB-CZ2 4.42Å; K545-W555 HydrophobicContact CG-CH2 4.46Å; K545-W555 HydrophobicContact CG-CZ2 4.32Å; V548-W555 HydrophobicContact CB-CZ3 3.99Å; V548-W555 HydrophobicContact CG1-CE3 4.3Å; V548-W555 HydrophobicContact CG1-CZ3 4.13Å; V548-W555 HydrophobicContact CG2-CZ3 4.49Å; D551-W555 PolarHBondContact O-N 3.18Å; E552-W555 WeakPolarHBondContact O-CB 3.47Å; E552-W555 PolarHBondContact O-N 2.94Å; W555-Y557 VanDerWaalsContact C-N 3.28Å; W555-Y557 PolarHBondContact O-N 3.16Å; W555-I558 HydrophobicContact CE3-CB 4.23Å; W555-I558 HydrophobicContact CE3-CD1 4.45Å; W555-I558 HydrophobicContact CE3-CG2 4.43Å; W555-I558 HydrophobicContact CH2-CG2 4.3Å; W555-I558 HydrophobicContact CZ3-CB 4.23Å; W555-I558 HydrophobicContact CZ3-CD1 4.45Å; W555-I558 HydrophobicContact CZ3-CG2 3.93Å; W555-I558 PolarHBondContact O-N 2.9Å; W555-C559 HydrophobicContact CD2-CB 4.36Å; W555-C559 HydrophobicContact CG-CB 4.32Å; W555-C559 HydrophobicContact CZ2-CB 4.44Å; W555-C559 VanDerWaalsContact O-CB 3.3Å; W555-C559 WeakPolarHBondContact O-CB 3.38Å; W555-C559 PolarHBondContact O-N 3.1Å; W555-Y591 HydrophobicContact CH2-CE1 4.28Å; W555-Y591 HydrophobicContact CZ2-CD1 4.4Å; W555-Y591 AromaticContact CZ2-CE1 3.91Å; W555-Y591 HydrophobicContact CZ2-CE1 3.91Å; W555-L598 HydrophobicContact CB-CD1 4.14Å; W555-L598 VanDerWaalsContact CD1-CD1 3.46Å; W555-L598 HydrophobicContact CG-CD1 4.13Å |
| 556 | I | 74.4 | Confident | 73.7 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.7 | -39.6 | 175.8 | -62.6 | 170.5 | 0 | 0 | 0 | 112.3 | L396 I399 H554 I558 G560 Y595 L598 | L396-I556 HydrophobicContact CD1-CD1 3.97Å; L396-I556 HydrophobicContact CD2-CD1 4.07Å; L396-I556 HydrophobicContact CD2-CG2 3.81Å; L396-I556 HydrophobicContact CG-CD1 3.83Å; L396-I556 HydrophobicContact CG-CG2 4.39Å; I399-I556 HydrophobicContact CD1-CG2 3.98Å; H554-I556 PolarHBondContact O-N 3.42Å; I556-I558 PolarHBondContact O-N 3.34Å; I556-I558 VanDerWaalsContact O-N 3.16Å; I556-G560 PolarHBondContact O-N 3.17Å; I556-Y595 HydrophobicContact CG2-CE2 4.44Å; I556-L598 HydrophobicContact CD1-CB 4.11Å; I556-L598 HydrophobicContact CG1-CB 3.81Å; I556-L598 HydrophobicContact CG1-CD1 3.66Å; I556-L598 HydrophobicContact CG1-CG 4.22Å |
| 557 | Y | 71.8 | Confident | 74.1 | Confident | 11 Ų | 11 | 39 Ų | 39 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -23.2 | 178.8 | -75.2 | -75 | 0 | 0 | 0 | 113.4 | P395 I399 F506 Y510 H554 W555 P561 | P395-Y557 HydrophobicContact CB-CD2 4.09Å; P395-Y557 HydrophobicContact CB-CE1 4.4Å; P395-Y557 HydrophobicContact CB-CE2 3.49Å; P395-Y557 VanDerWaalsContact CB-CE2 3.49Å; P395-Y557 HydrophobicContact CG-CD2 4.45Å; P395-Y557 HydrophobicContact CG-CE2 3.85Å; I399-Y557 HydrophobicContact CD1-CD1 3.4Å; I399-Y557 VanDerWaalsContact CD1-CD1 3.4Å; I399-Y557 HydrophobicContact CD1-CE1 3.56Å; I399-Y557 HydrophobicContact CD1-CG 3.97Å; I399-Y557 HydrophobicContact CG1-CD1 3.96Å; I399-Y557 HydrophobicContact CG1-CE1 3.77Å; F506-Y557 HydrophobicContact CB-CD2 3.97Å; F506-Y557 HydrophobicContact CB-CE2 4.48Å; F506-Y557 HydrophobicContact CB-CG 4.1Å; F506-Y557 HydrophobicContact CG-CD2 4.46Å; Y510-Y557 WeakPolarHBondContact CB-O 3.22Å; Y510-Y557 HydrophobicContact CD2-CD1 4.36Å; Y510-Y557 HydrophobicContact CG-CD1 4.38Å; H554-Y557 PolarHBondContact O-N 3.41Å; H554-Y557 VanDerWaalsContact O-N 3.15Å; W555-Y557 VanDerWaalsContact C-N 3.28Å; W555-Y557 PolarHBondContact O-N 3.16Å; Y557-P561 WeakPolarHBondContact O-CG 3.25Å |
| 558 | I | 78 | Confident | 74.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -104.6 | -49.1 | -176.5 | -61 | 172.1 | 0 | 0 | 0 | 109.5 | F494 F506 T509 L513 I544 V548 W555 I556 G560 P561 T562 | F494-I558 HydrophobicContact CE2-CD1 4.36Å; F506-I558 HydrophobicContact CD1-CD1 4.27Å; F506-I558 HydrophobicContact CE1-CD1 4.13Å; T509-I558 HydrophobicContact CG2-CG1 4.13Å; L513-I558 HydrophobicContact CD1-CG2 4.3Å; I544-I558 HydrophobicContact CG2-CG2 3.72Å; V548-I558 HydrophobicContact CG1-CD1 3.87Å; V548-I558 HydrophobicContact CG2-CD1 4.26Å; W555-I558 HydrophobicContact CE3-CB 4.23Å; W555-I558 HydrophobicContact CE3-CD1 4.45Å; W555-I558 HydrophobicContact CE3-CG2 4.43Å; W555-I558 HydrophobicContact CH2-CG2 4.3Å; W555-I558 HydrophobicContact CZ3-CB 4.23Å; W555-I558 HydrophobicContact CZ3-CD1 4.45Å; W555-I558 HydrophobicContact CZ3-CG2 3.93Å; W555-I558 PolarHBondContact O-N 2.9Å; I556-I558 PolarHBondContact O-N 3.34Å; I556-I558 VanDerWaalsContact O-N 3.16Å; I558-G560 PolarHBondContact O-N 3.31Å; I558-P561 WeakPolarHBondContact O-CD 3.3Å; I558-P561 WeakPolarHBondContact O-CG 3.49Å; I558-T562 HydrophobicContact CG2-CG2 4.02Å; I558-T562 WeakPolarHBondContact O-CB 3.45Å; I558-T562 VanDerWaalsContact O-CG2 3.23Å; I558-T562 WeakPolarHBondContact O-CG2 3.3Å; I558-T562 PolarHBondContact O-N 3.17Å; I558-T562 PolarHBondContact O-OG1 3.21Å; I558-T562 VanDerWaalsContact O-OG1 3.05Å |
| 559 | C | 80.6 | Confident | 74.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.6 | -51.4 | -173 | -167.8 | 0 | 0 | 0 | 0 | 112.7 | W555 T562 I563 Y591 S594 Y595 | W555-C559 HydrophobicContact CD2-CB 4.36Å; W555-C559 HydrophobicContact CG-CB 4.32Å; W555-C559 HydrophobicContact CZ2-CB 4.44Å; W555-C559 VanDerWaalsContact O-CB 3.3Å; W555-C559 WeakPolarHBondContact O-CB 3.38Å; W555-C559 PolarHBondContact O-N 3.1Å; C559-T562 WeakPolarHBondContact CA-OG1 3.34Å; C559-T562 PolarHBondContact O-N 3.16Å; C559-T562 PolarHBondContact O-OG1 3.11Å; C559-I563 WeakPolarHBondContact O-CG1 3.41Å; C559-I563 PolarHBondContact O-N 3.28Å; C559-I563 VanDerWaalsContact O-N 3.12Å; C559-Y591 PolarHBondContact SG-O 3.38Å; C559-S594 PolarHBondContact SG-OG 2.88Å; C559-Y595 HydrophobicContact CB-CD2 4.28Å |
| 560 | G | 79.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.7 | -58.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I556 I558 T562 I563 S564 W606 | I556-G560 PolarHBondContact O-N 3.17Å; I558-G560 PolarHBondContact O-N 3.31Å; G560-T562 VanDerWaalsContact C-N 3.29Å; G560-T562 PolarHBondContact O-N 3.45Å; G560-I563 WeakPolarHBondContact O-CB 3.42Å; G560-I563 PolarHBondContact O-N 2.91Å; G560-I563 VanDerWaalsContact O-N 3.14Å; G560-S564 PolarHBondContact O-N 3.11Å; G560-W606 VanDerWaalsContact CA-CE2 3.45Å |
| 561 | P | 80 | Confident | 75.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -30.5 | 179.2 | 0.9 | -1.8 | 0 | 0 | 0 | 113.7 | Y510 L513 Y557 I558 S564 L565 W606 | Y510-P561 HydrophobicContact CD2-CB 4.23Å; Y510-P561 HydrophobicContact CD2-CG 3.59Å; Y510-P561 HydrophobicContact CE2-CB 4.41Å; Y510-P561 HydrophobicContact CE2-CG 4Å; Y510-P561 HydrophobicContact CG-CG 4.37Å; L513-P561 HydrophobicContact CB-CB 3.75Å; L513-P561 HydrophobicContact CB-CG 4.15Å; L513-P561 HydrophobicContact CD1-CB 4.32Å; L513-P561 HydrophobicContact CD1-CG 3.97Å; Y557-P561 WeakPolarHBondContact O-CG 3.25Å; I558-P561 WeakPolarHBondContact O-CD 3.3Å; I558-P561 WeakPolarHBondContact O-CG 3.49Å; P561-S564 PolarHBondContact O-N 2.89Å; P561-L565 WeakPolarHBondContact O-CB 3.34Å; P561-L565 PolarHBondContact O-N 3.46Å; P561-W606 HydrophobicContact CB-CZ3 4.27Å; P561-W606 HydrophobicContact CG-CH2 4.01Å; P561-W606 HydrophobicContact CG-CZ3 3.94Å |
| 562 | T | 83 | Confident | 75.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 173.3 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | L513 L541 I544 I558 C559 G560 L565 L566 | L513-T562 HydrophobicContact CD1-CG2 3.98Å; L513-T562 HydrophobicContact CD2-CG2 4.27Å; L541-T562 HydrophobicContact CD2-CG2 4.11Å; I544-T562 HydrophobicContact CD1-CG2 3.98Å; I558-T562 HydrophobicContact CG2-CG2 4.02Å; I558-T562 WeakPolarHBondContact O-CB 3.45Å; I558-T562 VanDerWaalsContact O-CG2 3.23Å; I558-T562 WeakPolarHBondContact O-CG2 3.3Å; I558-T562 PolarHBondContact O-N 3.17Å; I558-T562 PolarHBondContact O-OG1 3.21Å; I558-T562 VanDerWaalsContact O-OG1 3.05Å; C559-T562 WeakPolarHBondContact CA-OG1 3.34Å; C559-T562 PolarHBondContact O-N 3.16Å; C559-T562 PolarHBondContact O-OG1 3.11Å; G560-T562 VanDerWaalsContact C-N 3.29Å; G560-T562 PolarHBondContact O-N 3.45Å; T562-L565 PolarHBondContact O-N 2.97Å; T562-L566 WeakPolarHBondContact O-CG 3.3Å; T562-L566 PolarHBondContact O-N 3.05Å |
| 563 | I | 83 | Confident | 75.4 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 173.8 | -67.3 | 164.7 | 0 | 0 | 0 | 109.7 | C559 G560 L565 L566 C567 L588 I592 Y595 I603 W606 L607 | C559-I563 WeakPolarHBondContact O-CG1 3.41Å; C559-I563 PolarHBondContact O-N 3.28Å; C559-I563 VanDerWaalsContact O-N 3.12Å; G560-I563 WeakPolarHBondContact O-CB 3.42Å; G560-I563 PolarHBondContact O-N 2.91Å; G560-I563 VanDerWaalsContact O-N 3.14Å; I563-L565 VanDerWaalsContact C-N 3.27Å; I563-L565 PolarHBondContact O-N 3.26Å; I563-L566 PolarHBondContact O-N 2.87Å; I563-C567 PolarHBondContact O-N 3.15Å; I563-C567 PolarHBondContact O-SG 3.39Å; I563-C567 VanDerWaalsContact O-SG 3.35Å; I563-L588 HydrophobicContact CG2-CD2 4.41Å; I563-I592 HydrophobicContact CD1-CG1 4.44Å; I563-Y595 HydrophobicContact CD1-CD2 4.46Å; I563-Y595 HydrophobicContact CD1-CG 4.35Å; I563-I603 HydrophobicContact CD1-CD1 4.01Å; I563-W606 HydrophobicContact CB-CB 4.22Å; I563-W606 HydrophobicContact CG2-CB 4.08Å; I563-L607 HydrophobicContact CG2-CD2 3.58Å; I563-L607 HydrophobicContact CG2-CG 4.07Å |
| 564 | S | 80.3 | Confident | 75.3 | Confident | 0.5 Ų | 0.5 | 10.1 Ų | 10.1 | 0% | 0.003 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 112.3 | R514 G560 P561 C567 S568 W606 | R514-S564 PolarHBondContact NH1-OG 3.38Å; G560-S564 PolarHBondContact O-N 3.11Å; P561-S564 PolarHBondContact O-N 2.89Å; S564-C567 PolarHBondContact O-N 3.14Å; S564-S568 PolarHBondContact O-N 3.34Å; S564-S568 PolarHBondContact O-OG 2.96Å; S564-S568 VanDerWaalsContact O-OG 3.04Å; S564-W606 WeakPolarHBondContact CA-O 3.23Å |
| 565 | L | 82.1 | Confident | 75 | Confident | 0.5 Ų | 0.5 | 12.1 Ų | 12.1 | 0% | 0.003 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 177.4 | -179.5 | 98.9 | 0 | 0 | 0 | 111.8 | L513 L516 A517 V520 L537 L541 P561 T562 I563 C567 S568 L569 | L513-L565 HydrophobicContact CD2-CD2 4.07Å; L516-L565 HydrophobicContact CB-CD1 3.81Å; L516-L565 VanDerWaalsContact CB-CD1 3.48Å; L516-L565 HydrophobicContact CB-CD2 4.45Å; L516-L565 HydrophobicContact CD1-CD1 4.27Å; A517-L565 HydrophobicContact CB-CB 4Å; A517-L565 HydrophobicContact CB-CD1 4.15Å; A517-L565 HydrophobicContact CB-CG 4.32Å; V520-L565 HydrophobicContact CG2-CD1 4.15Å; L537-L565 HydrophobicContact CD2-CD2 4.1Å; L541-L565 HydrophobicContact CD1-CD2 3.81Å; L541-L565 HydrophobicContact CD1-CG 4.29Å; L541-L565 HydrophobicContact CD2-CD2 3.96Å; L541-L565 HydrophobicContact CG-CD2 4.28Å; P561-L565 WeakPolarHBondContact O-CB 3.34Å; P561-L565 PolarHBondContact O-N 3.46Å; T562-L565 PolarHBondContact O-N 2.97Å; I563-L565 VanDerWaalsContact C-N 3.27Å; I563-L565 PolarHBondContact O-N 3.26Å; L565-C567 VanDerWaalsContact C-N 3.34Å; L565-C567 PolarHBondContact O-N 3.24Å; L565-S568 WeakPolarHBondContact O-CB 3.29Å; L565-S568 PolarHBondContact O-N 3.4Å; L565-L569 HydrophobicContact CD1-CD1 4.5Å; L565-L569 HydrophobicContact CD2-CD1 3.71Å; L565-L569 HydrophobicContact CG-CD1 4.42Å; L565-L569 VanDerWaalsContact O-CG 3.31Å; L565-L569 WeakPolarHBondContact O-CG 3.38Å; L565-L569 PolarHBondContact O-N 3.04Å |
| 566 | L | 81.8 | Confident | 74.3 | Confident | 5 Ų | 5 | 12.8 Ų | 12.8 | 3% | 0.026 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 173.1 | -75.1 | 168.2 | 0 | 0 | 0 | 111.6 | L541 T562 I563 L569 M570 I587 L588 Y591 | L541-L566 HydrophobicContact CD1-CD2 3.71Å; L541-L566 HydrophobicContact CD1-CG 4.19Å; T562-L566 WeakPolarHBondContact O-CG 3.3Å; T562-L566 PolarHBondContact O-N 3.05Å; I563-L566 PolarHBondContact O-N 2.87Å; L566-L569 PolarHBondContact O-N 3.08Å; L566-M570 PolarHBondContact O-N 3.27Å; L566-I587 HydrophobicContact CD1-CG2 3.74Å; L566-I587 HydrophobicContact CD2-CG2 4.28Å; L566-L588 HydrophobicContact CB-CD2 3.7Å; L566-L588 HydrophobicContact CB-CG 4.45Å; L566-L588 HydrophobicContact CD1-CD2 4.03Å; L566-Y591 HydrophobicContact CD1-CD2 3.76Å; L566-Y591 HydrophobicContact CD1-CE2 4.11Å |
| 567 | C | 77.8 | Confident | 73.9 | Confident | 3.5 Ų | 3.5 | 19.3 Ų | 19.3 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 173.5 | -67 | 0 | 0 | 0 | 0 | 112 | I563 S564 L565 L569 M570 L610 | I563-C567 PolarHBondContact O-N 3.15Å; I563-C567 PolarHBondContact O-SG 3.39Å; I563-C567 VanDerWaalsContact O-SG 3.35Å; S564-C567 PolarHBondContact O-N 3.14Å; L565-C567 VanDerWaalsContact C-N 3.34Å; L565-C567 PolarHBondContact O-N 3.24Å; C567-L569 VanDerWaalsContact C-N 3.27Å; C567-L569 PolarHBondContact O-N 3.33Å; C567-M570 VanDerWaalsContact O-CB 3.3Å; C567-M570 WeakPolarHBondContact O-CB 3.23Å; C567-M570 WeakPolarHBondContact O-CG 3.43Å; C567-M570 PolarHBondContact O-N 2.89Å; C567-M570 VanDerWaalsContact O-N 3.1Å; C567-L610 HydrophobicContact CB-CB 4.46Å |
| 568 | S | 74.7 | Confident | 73.7 | Confident | 0.5 Ų | 0.5 | 20.7 Ų | 20.7 | 0% | 0.003 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -34.4 | 175 | -63.8 | 0 | 0 | 0 | 0 | 113 | A517 I521 S564 L565 M570 | A517-S568 PolarHBondContact O-OG 3.41Å; I521-S568 VanDerWaalsContact CD1-OG 3.23Å; I521-S568 WeakPolarHBondContact CD1-OG 3.39Å; I521-S568 WeakPolarHBondContact CG1-OG 3.32Å; S564-S568 PolarHBondContact O-N 3.34Å; S564-S568 PolarHBondContact O-OG 2.96Å; S564-S568 VanDerWaalsContact O-OG 3.04Å; L565-S568 WeakPolarHBondContact O-CB 3.29Å; L565-S568 PolarHBondContact O-N 3.4Å; S568-M570 VanDerWaalsContact C-N 3.28Å; S568-M570 PolarHBondContact O-N 3.27Å |
| 569 | L | 75.8 | Confident | 73.4 | Confident | 0.5 Ų | 0.5 | 21.2 Ų | 21.2 | 0% | 0.003 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -74.5 | -13.3 | 178.7 | -70.3 | 164.5 | 0 | 0 | 0 | 113.5 | V520 L534 L537 L541 L565 L566 C567 F571 W572 F573 | V520-L569 HydrophobicContact CG1-CD2 3.77Å; V520-L569 HydrophobicContact CG1-CG 4.19Å; V520-L569 HydrophobicContact CG2-CD2 4.22Å; L534-L569 HydrophobicContact CD2-CD2 3.65Å; L537-L569 HydrophobicContact CD2-CD1 3.51Å; L537-L569 HydrophobicContact CD2-CD2 4.45Å; L541-L569 HydrophobicContact CD1-CD1 3.99Å; L565-L569 HydrophobicContact CD1-CD1 4.5Å; L565-L569 HydrophobicContact CD2-CD1 3.71Å; L565-L569 HydrophobicContact CG-CD1 4.42Å; L565-L569 VanDerWaalsContact O-CG 3.31Å; L565-L569 WeakPolarHBondContact O-CG 3.38Å; L565-L569 PolarHBondContact O-N 3.04Å; L566-L569 PolarHBondContact O-N 3.08Å; C567-L569 VanDerWaalsContact C-N 3.27Å; C567-L569 PolarHBondContact O-N 3.33Å; L569-F571 VanDerWaalsContact C-N 3.26Å; L569-F571 PolarHBondContact O-N 3.42Å; L569-W572 HydrophobicContact CD2-CD2 4.2Å; L569-W572 HydrophobicContact CD2-CE3 3.34Å; L569-W572 HydrophobicContact CD2-CZ3 3.58Å; L569-W572 VanDerWaalsContact O-CB 3.3Å; L569-W572 WeakPolarHBondContact O-CB 3.28Å; L569-W572 PolarHBondContact O-N 3.18Å; L569-F573 HydrophobicContact CB-CD2 4.32Å; L569-F573 HydrophobicContact CB-CE2 3.6Å; L569-F573 HydrophobicContact CB-CZ 4.04Å; L569-F573 WeakPolarHBondContact O-CD2 3.4Å; L569-F573 WeakPolarHBondContact O-CE2 3.42Å; L569-F573 PolarHBondContact O-N 2.9Å; L569-F573 VanDerWaalsContact O-N 3.14Å |
| 570 | M | 72.3 | Confident | 73.3 | Confident | 7.5 Ų | 7.5 | 23.6 Ų | 23.6 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.3 | -38.6 | 179.2 | -71.6 | 178.7 | 53.3 | 0 | 0 | 113.1 | L566 C567 S568 W572 F573 S574 L584 L588 L610 E624 V627 | L566-M570 PolarHBondContact O-N 3.27Å; C567-M570 VanDerWaalsContact O-CB 3.3Å; C567-M570 WeakPolarHBondContact O-CB 3.23Å; C567-M570 WeakPolarHBondContact O-CG 3.43Å; C567-M570 PolarHBondContact O-N 2.89Å; C567-M570 VanDerWaalsContact O-N 3.1Å; S568-M570 VanDerWaalsContact C-N 3.28Å; S568-M570 PolarHBondContact O-N 3.27Å; M570-W572 PolarHBondContact O-N 3.18Å; M570-W572 VanDerWaalsContact O-N 3.07Å; M570-F573 PolarHBondContact O-N 3Å; M570-S574 PolarHBondContact O-N 3.42Å; M570-L584 HydrophobicContact CG-CD1 3.91Å; M570-L584 HydrophobicContact CG-CD2 4.08Å; M570-L584 HydrophobicContact SD-CD2 4.15Å; M570-L588 HydrophobicContact SD-CD1 4.44Å; M570-L610 HydrophobicContact CE-CD1 4.25Å; M570-L610 HydrophobicContact CE-CG 4.46Å; M570-L610 HydrophobicContact SD-CD1 3.65Å; M570-L610 HydrophobicContact SD-CG 4.31Å; M570-E624 HydrophobicContact CE-CB 4.44Å; M570-E624 HydrophobicContact CE-CG 3.74Å; M570-V627 HydrophobicContact CE-CB 3.57Å; M570-V627 HydrophobicContact CE-CG1 3.43Å; M570-V627 VanDerWaalsContact CE-CG1 3.43Å; M570-V627 HydrophobicContact CE-CG2 4.07Å; M570-V627 HydrophobicContact SD-CG1 3.92Å |
| 571 | F | 62.4 | Low | 73.1 | Confident | 58.5 Ų | 58.5 | 24.2 Ų | 24.2 | 26% | 0.257 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.4 | -21 | 176.4 | -71.7 | -79.7 | 0 | 0 | 0 | 113.5 | L569 S574 | L569-F571 VanDerWaalsContact C-N 3.26Å; L569-F571 PolarHBondContact O-N 3.42Å; F571-S574 PolarHBondContact O-OG 3.21Å; F571-S574 VanDerWaalsContact O-OG 3.06Å |
| 572 | W | 67 | Low | 73.1 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -95.3 | -32.6 | -178.3 | -64.8 | 38.1 | 0 | 0 | 0 | 112.7 | V520 I523 F526 L534 L569 M570 S574 T575 A576 | V520-W572 VanDerWaalsContact CA-CZ2 3.4Å; V520-W572 HydrophobicContact CB-CH2 3.65Å; V520-W572 HydrophobicContact CB-CZ2 3.79Å; V520-W572 HydrophobicContact CB-CZ3 4.29Å; V520-W572 HydrophobicContact CG1-CD2 4.02Å; V520-W572 HydrophobicContact CG1-CE3 4.07Å; V520-W572 HydrophobicContact CG1-CH2 3.55Å; V520-W572 HydrophobicContact CG1-CZ2 3.47Å; V520-W572 VanDerWaalsContact CG1-CZ2 3.47Å; V520-W572 HydrophobicContact CG1-CZ3 3.87Å; V520-W572 HydrophobicContact CG2-CH2 3.47Å; V520-W572 VanDerWaalsContact CG2-CH2 3.47Å; V520-W572 HydrophobicContact CG2-CZ2 4.15Å; V520-W572 HydrophobicContact CG2-CZ3 3.84Å; V520-W572 WeakPolarHBondContact O-CZ2 3.27Å; V520-W572 PolarHBondContact O-NE1 3.38Å; I523-W572 HydrophobicContact CB-CZ2 4.15Å; I523-W572 WeakPolarHBondContact O-CH2 3.42Å; I523-W572 WeakPolarHBondContact O-CZ2 3.29Å; I523-W572 PolarHBondContact O-NE1 3.23Å; F526-W572 HydrophobicContact CB-CH2 3.13Å; F526-W572 HydrophobicContact CB-CZ2 4.36Å; F526-W572 HydrophobicContact CB-CZ3 3.32Å; F526-W572 HydrophobicContact CD1-CZ3 4.45Å; F526-W572 HydrophobicContact CD2-CD2 4.07Å; F526-W572 AromaticContact CD2-CE2 3.53Å; F526-W572 HydrophobicContact CD2-CE3 4.17Å; F526-W572 AromaticContact CD2-CH2 3.25Å; F526-W572 HydrophobicContact CD2-CH2 3.25Å; F526-W572 AromaticContact CD2-CZ2 3.42Å; F526-W572 HydrophobicContact CD2-CZ2 3.42Å; F526-W572 AromaticContact CD2-CZ3 3.8Å; F526-W572 HydrophobicContact CD2-CZ3 3.95Å; F526-W572 HydrophobicContact CE1-CH2 4.32Å; F526-W572 HydrophobicContact CE1-CZ3 4.41Å; F526-W572 HydrophobicContact CE2-CE3 4.5Å; F526-W572 AromaticContact CE2-CH2 2.9Å; F526-W572 HydrophobicContact CE2-CH2 3.68Å; F526-W572 AromaticContact CE2-CZ2 3.12Å; F526-W572 HydrophobicContact CE2-CZ2 3.12Å; F526-W572 AromaticContact CE2-CZ3 3.69Å; F526-W572 HydrophobicContact CE2-CZ3 3.69Å; F526-W572 HydrophobicContact CG-CD2 4.42Å; F526-W572 HydrophobicContact CG-CE3 4.37Å; F526-W572 AromaticContact CG-CH2 3.56Å; F526-W572 HydrophobicContact CG-CH2 3.83Å; F526-W572 HydrophobicContact CG-CZ2 4.29Å; F526-W572 HydrophobicContact CG-CZ3 4.2Å; F526-W572 AromaticContact CZ-CH2 3.55Å; F526-W572 HydrophobicContact CZ-CH2 3.55Å; F526-W572 HydrophobicContact CZ-CZ2 4.2Å; F526-W572 HydrophobicContact CZ-CZ3 4.04Å; F526-W572 VanDerWaalsContact N-CH2 3.27Å; L534-W572 HydrophobicContact CD1-CB 4.36Å; L534-W572 HydrophobicContact CD1-CD2 4.48Å; L534-W572 HydrophobicContact CD1-CE3 3.87Å; L534-W572 HydrophobicContact CD1-CZ3 4.18Å; L569-W572 HydrophobicContact CD2-CD2 4.2Å; L569-W572 HydrophobicContact CD2-CE3 3.34Å; L569-W572 HydrophobicContact CD2-CZ3 3.58Å; L569-W572 VanDerWaalsContact O-CB 3.3Å; L569-W572 WeakPolarHBondContact O-CB 3.28Å; L569-W572 PolarHBondContact O-N 3.18Å; M570-W572 PolarHBondContact O-N 3.18Å; M570-W572 VanDerWaalsContact O-N 3.07Å; W572-S574 VanDerWaalsContact C-N 3.3Å; W572-S574 PolarHBondContact O-N 3.22Å; W572-T575 PolarHBondContact O-N 2.71Å; W572-T575 VanDerWaalsContact O-N 3.11Å; W572-T575 PolarHBondContact O-OG1 2.86Å; W572-A576 WeakPolarHBondContact O-CB 3.05Å; W572-A576 PolarHBondContact O-N 3.42Å; W572-A576 VanDerWaalsContact O-N 3.08Å |
| 573 | F | 68.4 | Low | 72.9 | Confident | 2.5 Ų | 2.5 | 34 Ų | 34 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -31.5 | 178.5 | -65.5 | -51.7 | 0 | 0 | 0 | 112.4 | L534 I538 L569 M570 T575 N577 V578 M579 L584 F623 | L534-F573 HydrophobicContact CD2-CD1 3.87Å; L534-F573 HydrophobicContact CD2-CE1 3.51Å; L534-F573 HydrophobicContact CG-CE1 4.44Å; I538-F573 HydrophobicContact CD1-CE1 3.4Å; I538-F573 VanDerWaalsContact CD1-CE1 3.45Å; I538-F573 HydrophobicContact CD1-CZ 3.69Å; I538-F573 HydrophobicContact CG1-CE1 4.11Å; I538-F573 HydrophobicContact CG1-CZ 3.88Å; L569-F573 HydrophobicContact CB-CD2 4.32Å; L569-F573 HydrophobicContact CB-CE2 3.6Å; L569-F573 HydrophobicContact CB-CZ 4.04Å; L569-F573 WeakPolarHBondContact O-CD2 3.4Å; L569-F573 WeakPolarHBondContact O-CE2 3.42Å; L569-F573 PolarHBondContact O-N 2.9Å; L569-F573 VanDerWaalsContact O-N 3.14Å; M570-F573 PolarHBondContact O-N 3Å; F573-T575 VanDerWaalsContact C-N 3.27Å; F573-T575 PolarHBondContact O-N 3.27Å; F573-N577 PolarHBondContact O-N 3.18Å; F573-N577 VanDerWaalsContact O-N 3.12Å; F573-V578 HydrophobicContact CD1-CB 4.31Å; F573-V578 HydrophobicContact CE1-CB 4.37Å; F573-M579 HydrophobicContact CD1-CB 4.03Å; F573-M579 HydrophobicContact CD1-CE 4.17Å; F573-M579 HydrophobicContact CD1-CG 4.46Å; F573-M579 HydrophobicContact CD2-CE 3.89Å; F573-M579 HydrophobicContact CE1-CB 4.26Å; F573-M579 HydrophobicContact CE1-CE 3.74Å; F573-M579 HydrophobicContact CE1-CG 4.27Å; F573-M579 HydrophobicContact CE1-SD 4.03Å; F573-M579 HydrophobicContact CE2-CE 3.4Å; F573-M579 VanDerWaalsContact CE2-CE 3.4Å; F573-M579 HydrophobicContact CG-CB 4.47Å; F573-M579 HydrophobicContact CG-CE 4.26Å; F573-M579 HydrophobicContact CZ-CE 3.34Å; F573-M579 HydrophobicContact CZ-SD 3.96Å; F573-L584 HydrophobicContact CB-CD1 4.45Å; F573-L584 HydrophobicContact CD2-CD1 3.2Å; F573-L584 HydrophobicContact CD2-CG 4.31Å; F573-L584 HydrophobicContact CE2-CD1 3.5Å; F573-L584 HydrophobicContact CE2-CG 4.34Å; F573-L584 HydrophobicContact CG-CD1 4.19Å; F573-F623 HydrophobicContact CB-CD1 4.31Å; F573-F623 HydrophobicContact CB-CE1 3.54Å; F573-F623 VanDerWaalsContact CB-CE1 3.44Å; F573-F623 HydrophobicContact CB-CE2 4.41Å; F573-F623 HydrophobicContact CB-CZ 3.62Å |
| 574 | S | 64.1 | Low | 72.8 | Confident | 27.5 Ų | 27.5 | 34.1 Ų | 34.1 | 19% | 0.192 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -36.3 | 172.9 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | M570 F571 W572 D620 | M570-S574 PolarHBondContact O-N 3.42Å; F571-S574 PolarHBondContact O-OG 3.21Å; F571-S574 VanDerWaalsContact O-OG 3.06Å; W572-S574 VanDerWaalsContact C-N 3.3Å; W572-S574 PolarHBondContact O-N 3.22Å; S574-D620 PolarHBondContact OG-OD1 3.34Å |
| 575 | T | 62.8 | Low | 72.9 | Confident | 89.5 Ų | 89.5 | 34 Ų | 34 | 55% | 0.549 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -90.3 | -40 | -174.8 | 56.6 | 0 | 0 | 0 | 0 | 113 | W572 F573 | W572-T575 PolarHBondContact O-N 2.71Å; W572-T575 VanDerWaalsContact O-N 3.11Å; W572-T575 PolarHBondContact O-OG1 2.86Å; F573-T575 VanDerWaalsContact C-N 3.27Å; F573-T575 PolarHBondContact O-N 3.27Å |
| 576 | A | 60.4 | Low | 72.9 | Confident | 43 Ų | 43 | 37.7 Ų | 37.7 | 36% | 0.355 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -92.1 | -10.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | W572 V578 | W572-A576 WeakPolarHBondContact O-CB 3.05Å; W572-A576 PolarHBondContact O-N 3.42Å; W572-A576 VanDerWaalsContact O-N 3.08Å; A576-V578 HydrophobicContact CB-CG2 3.6Å; A576-V578 PolarHBondContact O-N 3.2Å; A576-V578 VanDerWaalsContact O-N 3.11Å |
| 577 | N | 65.4 | Low | 72.9 | Confident | 144 Ų | 144 | 38.3 Ų | 38.3 | 77% | 0.77 | 21% | 0.213 | S | C | * | . | trans | 52.9 | 31.2 | 179.9 | -131.2 | 10.5 | 0 | 0 | 0 | 113.7 | F573 | F573-N577 PolarHBondContact O-N 3.18Å; F573-N577 VanDerWaalsContact O-N 3.12Å | ||
| 578 | V | 67.1 | Low | 73.2 | Confident | 40.5 Ų | 40.5 | 38.2 Ų | 38.2 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | trans | -78.8 | -27 | -173.7 | 177.5 | 0 | 0 | 0 | 0 | 112.3 | L534 Q535 I538 F573 A576 | L534-V578 HydrophobicContact CD2-CB 3.94Å; L534-V578 HydrophobicContact CD2-CG1 4.02Å; L534-V578 HydrophobicContact CD2-CG2 3.89Å; Q535-V578 HydrophobicContact CG-CG1 3.89Å; I538-V578 HydrophobicContact CD1-CG1 4.04Å; F573-V578 HydrophobicContact CD1-CB 4.31Å; F573-V578 HydrophobicContact CE1-CB 4.37Å; A576-V578 HydrophobicContact CB-CG2 3.6Å; A576-V578 PolarHBondContact O-N 3.2Å; A576-V578 VanDerWaalsContact O-N 3.11Å | ||
| 579 | M | 72.6 | Confident | 73.5 | Confident | 10.5 Ų | 10.5 | 38.3 Ų | 38.3 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -144.4 | 141.5 | -176.4 | -128.6 | 177 | 58 | 0 | 0 | 110.2 | I538 F573 E583 L584 I587 | I538-M579 HydrophobicContact CD1-CG 4.2Å; I538-M579 HydrophobicContact CD1-SD 3.8Å; I538-M579 HydrophobicContact CG1-SD 4.13Å; I538-M579 HydrophobicContact CG2-SD 3.72Å; F573-M579 HydrophobicContact CD1-CB 4.03Å; F573-M579 HydrophobicContact CD1-CE 4.17Å; F573-M579 HydrophobicContact CD1-CG 4.46Å; F573-M579 HydrophobicContact CD2-CE 3.89Å; F573-M579 HydrophobicContact CE1-CB 4.26Å; F573-M579 HydrophobicContact CE1-CE 3.74Å; F573-M579 HydrophobicContact CE1-CG 4.27Å; F573-M579 HydrophobicContact CE1-SD 4.03Å; F573-M579 HydrophobicContact CE2-CE 3.4Å; F573-M579 VanDerWaalsContact CE2-CE 3.4Å; F573-M579 HydrophobicContact CG-CB 4.47Å; F573-M579 HydrophobicContact CG-CE 4.26Å; F573-M579 HydrophobicContact CZ-CE 3.34Å; F573-M579 HydrophobicContact CZ-SD 3.96Å; M579-E583 HydrophobicContact CE-CB 3.67Å; M579-E583 HydrophobicContact CG-CB 3.52Å; M579-E583 HydrophobicContact SD-CB 3.98Å; M579-L584 HydrophobicContact CE-CB 3.89Å; M579-L584 HydrophobicContact CE-CD1 3.62Å; M579-L584 HydrophobicContact CE-CG 3.97Å; M579-L584 HydrophobicContact CG-CB 4.47Å; M579-L584 HydrophobicContact SD-CB 4.2Å; M579-I587 HydrophobicContact CE-CD1 3.92Å; M579-I587 VanDerWaalsContact CE-CD1 3.48Å; M579-I587 HydrophobicContact SD-CD1 4.03Å |
| 580 | S | 78.7 | Confident | 73.8 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | trans | -73 | 156.1 | 174 | 69.3 | 0 | 0 | 0 | 0 | 111.3 | E582 E583 L584 | S580-E582 PolarHBondContact O-N 3.33Å; S580-E583 PolarHBondContact O-N 3.21Å; S580-E583 WeakPolarHBondContact OG-CB 3.4Å; S580-E583 WeakPolarHBondContact OG-CG 3.45Å; S580-E583 PolarHBondContact OG-N 2.9Å; S580-E583 VanDerWaalsContact OG-N 3.13Å; S580-L584 PolarHBondContact O-N 3.41Å; S580-L584 VanDerWaalsContact O-N 3.15Å | ||
| 581 | A | 76.3 | Confident | 74.3 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.5 | -33.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S585 F623 A626 V627 | A581-S585 WeakPolarHBondContact O-CB 3.42Å; A581-S585 PolarHBondContact O-N 3.12Å; A581-S585 PolarHBondContact O-OG 3.09Å; A581-F623 HydrophobicContact CB-CD2 4.41Å; A581-F623 HydrophobicContact CB-CE2 4.01Å; A581-F623 HydrophobicContact CB-CZ 4.37Å; A581-A626 HydrophobicContact CB-CB 4.02Å; A581-V627 HydrophobicContact CB-CG2 3.72Å |
| 582 | E | 78.4 | Confident | 75.2 | Confident | 112.5 Ų | 112.5 | 39.9 Ų | 39.9 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65 | -50.8 | 175.7 | -70.4 | -175 | 172.5 | 0 | 0 | 112.3 | S580 L584 S585 D586 K634 | S580-E582 PolarHBondContact O-N 3.33Å; E582-L584 VanDerWaalsContact C-N 3.3Å; E582-L584 PolarHBondContact O-N 3.35Å; E582-S585 WeakPolarHBondContact CA-OG 3.36Å; E582-S585 PolarHBondContact O-N 3.18Å; E582-S585 PolarHBondContact O-OG 3.11Å; E582-D586 PolarHBondContact O-N 3.28Å; E582-K634 PolarHBondContact O-NZ 3.18Å |
| 583 | E | 79.6 | Confident | 75.8 | Confident | 94.5 Ų | 94.5 | 41.7 Ų | 41.7 | 44% | 0.442 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.6 | -40 | -179.5 | -76.9 | -179.2 | -156.7 | 0 | 0 | 112 | M579 S580 D586 I587 | M579-E583 HydrophobicContact CE-CB 3.67Å; M579-E583 HydrophobicContact CG-CB 3.52Å; M579-E583 HydrophobicContact SD-CB 3.98Å; S580-E583 PolarHBondContact O-N 3.21Å; S580-E583 WeakPolarHBondContact OG-CB 3.4Å; S580-E583 WeakPolarHBondContact OG-CG 3.45Å; S580-E583 PolarHBondContact OG-N 2.9Å; S580-E583 VanDerWaalsContact OG-N 3.13Å; E583-D586 PolarHBondContact O-N 3.18Å; E583-I587 WeakPolarHBondContact O-CG1 3.35Å; E583-I587 PolarHBondContact O-N 3.35Å |
| 584 | L | 80.7 | Confident | 76.3 | Confident | 0.5 Ų | 0.5 | 42.4 Ų | 42.4 | 0% | 0.003 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -43.8 | 176.9 | -171.4 | 154.3 | 0 | 0 | 0 | 110.9 | M570 F573 M579 S580 E582 D586 I587 L588 F623 V627 | M570-L584 HydrophobicContact CG-CD1 3.91Å; M570-L584 HydrophobicContact CG-CD2 4.08Å; M570-L584 HydrophobicContact SD-CD2 4.15Å; F573-L584 HydrophobicContact CB-CD1 4.45Å; F573-L584 HydrophobicContact CD2-CD1 3.2Å; F573-L584 HydrophobicContact CD2-CG 4.31Å; F573-L584 HydrophobicContact CE2-CD1 3.5Å; F573-L584 HydrophobicContact CE2-CG 4.34Å; F573-L584 HydrophobicContact CG-CD1 4.19Å; M579-L584 HydrophobicContact CE-CB 3.89Å; M579-L584 HydrophobicContact CE-CD1 3.62Å; M579-L584 HydrophobicContact CE-CG 3.97Å; M579-L584 HydrophobicContact CG-CB 4.47Å; M579-L584 HydrophobicContact SD-CB 4.2Å; S580-L584 PolarHBondContact O-N 3.41Å; S580-L584 VanDerWaalsContact O-N 3.15Å; E582-L584 VanDerWaalsContact C-N 3.3Å; E582-L584 PolarHBondContact O-N 3.35Å; L584-D586 VanDerWaalsContact C-N 3.28Å; L584-D586 PolarHBondContact O-N 3.09Å; L584-I587 PolarHBondContact O-N 2.79Å; L584-L588 HydrophobicContact CD2-CD1 3.37Å; L584-L588 VanDerWaalsContact CD2-CD1 3.47Å; L584-L588 HydrophobicContact CD2-CG 3.95Å; L584-L588 HydrophobicContact CG-CD1 4.44Å; L584-L588 PolarHBondContact O-N 3.11Å; L584-F623 HydrophobicContact CD1-CE1 4.09Å; L584-F623 HydrophobicContact CD1-CZ 4.29Å; L584-V627 HydrophobicContact CD1-CG2 4.42Å; L584-V627 HydrophobicContact CD2-CB 4.33Å; L584-V627 HydrophobicContact CD2-CG1 3.65Å; L584-V627 HydrophobicContact CD2-CG2 3.96Å |
| 585 | S | 81.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -34.7 | 176.7 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | A581 E582 L588 V589 K634 | A581-S585 WeakPolarHBondContact O-CB 3.42Å; A581-S585 PolarHBondContact O-N 3.12Å; A581-S585 PolarHBondContact O-OG 3.09Å; E582-S585 WeakPolarHBondContact CA-OG 3.36Å; E582-S585 PolarHBondContact O-N 3.18Å; E582-S585 PolarHBondContact O-OG 3.11Å; S585-L588 PolarHBondContact O-N 3.15Å; S585-V589 WeakPolarHBondContact O-CB 3.32Å; S585-V589 WeakPolarHBondContact O-CG2 3.33Å; S585-V589 PolarHBondContact O-N 3.09Å; S585-K634 WeakPolarHBondContact OG-CD 3.25Å; S585-K634 WeakPolarHBondContact OG-CE 3.41Å; S585-K634 PolarHBondContact OG-NZ 3.23Å |
| 586 | D | 82.2 | Confident | 77.4 | Confident | 76.5 Ų | 76.5 | 37.4 Ų | 37.4 | 41% | 0.409 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 175.8 | -73.1 | -37.7 | 0 | 0 | 0 | 112 | E582 E583 L584 L588 V589 D590 K634 | E582-D586 PolarHBondContact O-N 3.28Å; E583-D586 PolarHBondContact O-N 3.18Å; L584-D586 VanDerWaalsContact C-N 3.28Å; L584-D586 PolarHBondContact O-N 3.09Å; D586-L588 VanDerWaalsContact C-N 3.34Å; D586-L588 PolarHBondContact O-N 2.93Å; D586-V589 PolarHBondContact O-N 3.13Å; D586-D590 PolarHBondContact O-N 3.17Å; D586-K634 WeakPolarHBondContact OD1-CD 3.44Å; D586-K634 WeakPolarHBondContact OD1-CE 3.37Å; D586-K634 IonicContact OD1-NZ 3.88Å; D586-K634 PolarHBondContact OD1-NZ 3.16Å; D586-K634 IonicContact OD2-NZ 3.07Å; D586-K634 PolarHBondContact OD2-NZ 2.84Å |
| 587 | I | 82.3 | Confident | 78 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 177.5 | -59.3 | 165.3 | 0 | 0 | 0 | 110.2 | K542 L566 M579 E583 L584 D590 Y591 | K542-I587 HydrophobicContact CD-CD1 4.25Å; K542-I587 HydrophobicContact CG-CD1 4.02Å; K542-I587 HydrophobicContact CG-CG1 4.46Å; L566-I587 HydrophobicContact CD1-CG2 3.74Å; L566-I587 HydrophobicContact CD2-CG2 4.28Å; M579-I587 HydrophobicContact CE-CD1 3.92Å; M579-I587 VanDerWaalsContact CE-CD1 3.48Å; M579-I587 HydrophobicContact SD-CD1 4.03Å; E583-I587 WeakPolarHBondContact O-CG1 3.35Å; E583-I587 PolarHBondContact O-N 3.35Å; L584-I587 PolarHBondContact O-N 2.79Å; I587-D590 PolarHBondContact O-N 2.98Å; I587-Y591 HydrophobicContact CG2-CD2 3.78Å; I587-Y591 HydrophobicContact CG2-CE2 3.81Å; I587-Y591 VanDerWaalsContact O-CD2 3.29Å; I587-Y591 WeakPolarHBondContact O-CD2 3.39Å; I587-Y591 PolarHBondContact O-N 3.48Å; I587-Y591 VanDerWaalsContact O-N 3.09Å |
| 588 | L | 83.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 178.6 | -81.6 | 179.1 | 0 | 0 | 0 | 111.5 | I563 L566 M570 L584 S585 D586 D590 Y591 I592 L610 V627 L631 | I563-L588 HydrophobicContact CG2-CD2 4.41Å; L566-L588 HydrophobicContact CB-CD2 3.7Å; L566-L588 HydrophobicContact CB-CG 4.45Å; L566-L588 HydrophobicContact CD1-CD2 4.03Å; M570-L588 HydrophobicContact SD-CD1 4.44Å; L584-L588 HydrophobicContact CD2-CD1 3.37Å; L584-L588 VanDerWaalsContact CD2-CD1 3.47Å; L584-L588 HydrophobicContact CD2-CG 3.95Å; L584-L588 HydrophobicContact CG-CD1 4.44Å; L584-L588 PolarHBondContact O-N 3.11Å; S585-L588 PolarHBondContact O-N 3.15Å; D586-L588 VanDerWaalsContact C-N 3.34Å; D586-L588 PolarHBondContact O-N 2.93Å; L588-D590 VanDerWaalsContact C-N 3.32Å; L588-D590 PolarHBondContact O-N 3.21Å; L588-Y591 PolarHBondContact O-N 3.07Å; L588-I592 HydrophobicContact CB-CD1 4.28Å; L588-I592 VanDerWaalsContact O-CB 3.27Å; L588-I592 WeakPolarHBondContact O-CB 3.37Å; L588-I592 WeakPolarHBondContact O-CD1 3.31Å; L588-I592 WeakPolarHBondContact O-CG1 3.27Å; L588-I592 PolarHBondContact O-N 3.12Å; L588-L610 HydrophobicContact CD1-CD1 4.22Å; L588-V627 HydrophobicContact CD1-CG1 4.48Å; L588-L631 HydrophobicContact CB-CD1 3.82Å; L588-L631 HydrophobicContact CB-CD2 3.66Å; L588-L631 HydrophobicContact CD1-CD1 3.65Å; L588-L631 HydrophobicContact CD1-CD2 4.08Å; L588-L631 HydrophobicContact CD1-CG 4.45Å; L588-L631 HydrophobicContact CG-CD1 4.33Å |
| 589 | V | 82.7 | Confident | 78.4 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 176 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | S585 D586 Y591 I592 M593 L631 K634 L635 Q638 | S585-V589 WeakPolarHBondContact O-CB 3.32Å; S585-V589 WeakPolarHBondContact O-CG2 3.33Å; S585-V589 PolarHBondContact O-N 3.09Å; D586-V589 PolarHBondContact O-N 3.13Å; V589-Y591 VanDerWaalsContact C-N 3.32Å; V589-Y591 PolarHBondContact O-N 3.36Å; V589-I592 PolarHBondContact O-N 3.33Å; V589-M593 HydrophobicContact CG1-CG 4.22Å; V589-M593 WeakPolarHBondContact O-CB 3.29Å; V589-M593 VanDerWaalsContact O-CG 3.23Å; V589-M593 WeakPolarHBondContact O-CG 3.38Å; V589-M593 PolarHBondContact O-N 3.31Å; V589-L631 HydrophobicContact CG2-CD2 4.03Å; V589-K634 HydrophobicContact CG2-CB 3.93Å; V589-L635 HydrophobicContact CB-CD2 4.24Å; V589-L635 HydrophobicContact CG1-CD2 4.13Å; V589-L635 HydrophobicContact CG2-CD2 3.89Å; V589-L635 HydrophobicContact CG2-CG 4.13Å; V589-Q638 VanDerWaalsContact CG1-NE2 3.31Å |
| 590 | D | 81.9 | Confident | 78.2 | Confident | 91 Ų | 91 | 38.3 Ų | 38.3 | 49% | 0.487 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.2 | -39.3 | 178.8 | -80.3 | -10.4 | 0 | 0 | 0 | 113.3 | D586 I587 L588 S594 | D586-D590 PolarHBondContact O-N 3.17Å; I587-D590 PolarHBondContact O-N 2.98Å; L588-D590 VanDerWaalsContact C-N 3.32Å; L588-D590 PolarHBondContact O-N 3.21Å; D590-S594 PolarHBondContact O-N 3.08Å; D590-S594 PolarHBondContact O-OG 3.07Å |
| 591 | Y | 82.5 | Confident | 77.6 | Confident | 7.5 Ų | 7.5 | 41.4 Ų | 41.4 | 3% | 0.029 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76.2 | -44.6 | 176.7 | -83.7 | -73.8 | 0 | 0 | 0 | 112.4 | L541 W555 C559 L566 I587 L588 V589 M593 S594 Y595 | L541-Y591 PolarHBondContact O-OH 3.01Å; W555-Y591 HydrophobicContact CH2-CE1 4.28Å; W555-Y591 HydrophobicContact CZ2-CD1 4.4Å; W555-Y591 AromaticContact CZ2-CE1 3.91Å; W555-Y591 HydrophobicContact CZ2-CE1 3.91Å; C559-Y591 PolarHBondContact SG-O 3.38Å; L566-Y591 HydrophobicContact CD1-CD2 3.76Å; L566-Y591 HydrophobicContact CD1-CE2 4.11Å; I587-Y591 HydrophobicContact CG2-CD2 3.78Å; I587-Y591 HydrophobicContact CG2-CE2 3.81Å; I587-Y591 VanDerWaalsContact O-CD2 3.29Å; I587-Y591 WeakPolarHBondContact O-CD2 3.39Å; I587-Y591 PolarHBondContact O-N 3.48Å; I587-Y591 VanDerWaalsContact O-N 3.09Å; L588-Y591 PolarHBondContact O-N 3.07Å; V589-Y591 VanDerWaalsContact C-N 3.32Å; V589-Y591 PolarHBondContact O-N 3.36Å; Y591-M593 VanDerWaalsContact C-N 3.33Å; Y591-M593 PolarHBondContact O-N 2.96Å; Y591-S594 CarbonylContact O-C 3.53Å; Y591-S594 PolarHBondContact O-N 2.99Å; Y591-S594 VanDerWaalsContact O-N 3.12Å; Y591-S594 PolarHBondContact O-OG 3.45Å; Y591-Y595 PolarHBondContact O-N 2.84Å |
| 592 | I | 80.6 | Confident | 77.4 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.8 | -48.7 | 177.5 | -73.5 | 166.3 | 0 | 0 | 0 | 109.8 | I563 L588 V589 S594 Y595 I596 I603 L607 L631 L635 L652 | I563-I592 HydrophobicContact CD1-CG1 4.44Å; L588-I592 HydrophobicContact CB-CD1 4.28Å; L588-I592 VanDerWaalsContact O-CB 3.27Å; L588-I592 WeakPolarHBondContact O-CB 3.37Å; L588-I592 WeakPolarHBondContact O-CD1 3.31Å; L588-I592 WeakPolarHBondContact O-CG1 3.27Å; L588-I592 PolarHBondContact O-N 3.12Å; V589-I592 PolarHBondContact O-N 3.33Å; I592-S594 VanDerWaalsContact C-N 3.29Å; I592-S594 PolarHBondContact O-N 3.34Å; I592-Y595 PolarHBondContact O-N 3.23Å; I592-Y595 VanDerWaalsContact O-N 3.1Å; I592-I596 HydrophobicContact CG2-CD1 3.67Å; I592-I596 HydrophobicContact CG2-CG1 4.35Å; I592-I596 VanDerWaalsContact O-CG1 3.32Å; I592-I596 WeakPolarHBondContact O-CG1 3.42Å; I592-I596 PolarHBondContact O-N 2.9Å; I592-I603 HydrophobicContact CB-CD1 4.2Å; I592-I603 HydrophobicContact CG1-CD1 4.4Å; I592-I603 HydrophobicContact CG2-CD1 4Å; I592-I603 HydrophobicContact CG2-CG1 4.36Å; I592-L607 HydrophobicContact CD1-CD1 4.07Å; I592-L607 HydrophobicContact CD1-CD2 4.09Å; I592-L607 HydrophobicContact CG1-CD1 4.29Å; I592-L607 HydrophobicContact CG1-CD2 4.45Å; I592-L631 HydrophobicContact CD1-CD1 4.03Å; I592-L631 HydrophobicContact CD1-CD2 4.35Å; I592-L631 HydrophobicContact CD1-CG 4.46Å; I592-L635 HydrophobicContact CD1-CD1 4.47Å; I592-L635 HydrophobicContact CG2-CD1 4.5Å; I592-L635 HydrophobicContact CG2-CD2 4.19Å; I592-L652 HydrophobicContact CG2-CD2 4.3Å |
| 593 | M | 79.6 | Confident | 77.3 | Confident | 50.5 Ų | 50.5 | 38.6 Ų | 38.6 | 25% | 0.249 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -37.7 | 178.5 | -68.7 | -56.7 | -65.4 | 0 | 0 | 111.9 | V589 Y591 Y595 I596 T597 L635 Q638 M649 | V589-M593 HydrophobicContact CG1-CG 4.22Å; V589-M593 WeakPolarHBondContact O-CB 3.29Å; V589-M593 VanDerWaalsContact O-CG 3.23Å; V589-M593 WeakPolarHBondContact O-CG 3.38Å; V589-M593 PolarHBondContact O-N 3.31Å; Y591-M593 VanDerWaalsContact C-N 3.33Å; Y591-M593 PolarHBondContact O-N 2.96Å; M593-Y595 VanDerWaalsContact C-N 3.33Å; M593-Y595 PolarHBondContact O-N 2.84Å; M593-I596 HydrophobicContact SD-CD1 4.44Å; M593-T597 WeakPolarHBondContact O-CG2 3.41Å; M593-T597 PolarHBondContact O-N 2.99Å; M593-T597 PolarHBondContact O-OG1 3.27Å; M593-L635 HydrophobicContact SD-CD2 4.29Å; M593-Q638 PolarHBondContact SD-OE1 2.68Å; M593-M649 HydrophobicContact CE-CE 4.33Å; M593-M649 HydrophobicContact SD-CE 3.95Å; M593-M649 VanDerWaalsContact SD-CE 3.55Å; M593-M649 HydrophobicContact SD-SD 4.4Å |
| 594 | S | 78.3 | Confident | 76.9 | Confident | 15.5 Ų | 15.5 | 35.5 Ų | 35.5 | 11% | 0.108 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.8 | -26.6 | 175.6 | 74.5 | 0 | 0 | 0 | 0 | 113.9 | C559 D590 Y591 I592 T597 L598 | C559-S594 PolarHBondContact SG-OG 2.88Å; D590-S594 PolarHBondContact O-N 3.08Å; D590-S594 PolarHBondContact O-OG 3.07Å; Y591-S594 CarbonylContact O-C 3.53Å; Y591-S594 PolarHBondContact O-N 2.99Å; Y591-S594 VanDerWaalsContact O-N 3.12Å; Y591-S594 PolarHBondContact O-OG 3.45Å; I592-S594 VanDerWaalsContact C-N 3.29Å; I592-S594 PolarHBondContact O-N 3.34Å; S594-T597 PolarHBondContact O-OG1 3.21Å; S594-L598 WeakPolarHBondContact O-CD1 3.21Å; S594-L598 WeakPolarHBondContact O-CG 3.43Å |
| 595 | Y | 76.9 | Confident | 76.4 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -78.3 | -43 | 175 | -172.5 | -82.2 | 0 | 0 | 0 | 111.3 | I556 C559 I563 Y591 I592 M593 T597 L598 D599 I603 W606 | I556-Y595 HydrophobicContact CG2-CE2 4.44Å; C559-Y595 HydrophobicContact CB-CD2 4.28Å; I563-Y595 HydrophobicContact CD1-CD2 4.46Å; I563-Y595 HydrophobicContact CD1-CG 4.35Å; Y591-Y595 PolarHBondContact O-N 2.84Å; I592-Y595 PolarHBondContact O-N 3.23Å; I592-Y595 VanDerWaalsContact O-N 3.1Å; M593-Y595 VanDerWaalsContact C-N 3.33Å; M593-Y595 PolarHBondContact O-N 2.84Å; Y595-T597 PolarHBondContact O-N 3.05Å; Y595-L598 WeakPolarHBondContact O-CA 3.38Å; Y595-L598 WeakPolarHBondContact O-CB 3.33Å; Y595-L598 PolarHBondContact O-N 3.07Å; Y595-D599 WeakPolarHBondContact CD1-O 3.35Å; Y595-D599 HydrophobicContact CE1-CB 3.81Å; Y595-D599 VanDerWaalsContact CE1-O 3.27Å; Y595-D599 WeakPolarHBondContact CE1-O 3.44Å; Y595-D599 PolarHBondContact O-N 3.17Å; Y595-D599 PolarHBondContact OH-OD2 3.33Å; Y595-I603 HydrophobicContact CD1-CB 3.89Å; Y595-I603 HydrophobicContact CD1-CD1 3.64Å; Y595-I603 HydrophobicContact CD1-CG1 4.04Å; Y595-I603 HydrophobicContact CE1-CB 4.1Å; Y595-I603 HydrophobicContact CE1-CD1 4.19Å; Y595-I603 HydrophobicContact CE1-CG1 4.42Å; Y595-I603 HydrophobicContact CG-CD1 4.02Å; Y595-I603 HydrophobicContact CG-CG1 4.47Å; Y595-W606 AromaticContact CE1-CD1 3.99Å; Y595-W606 AromaticContact CE2-CD1 3.55Å; Y595-W606 AromaticContact CE2-NE1 3.2Å; Y595-W606 AromaticContact CZ-CD1 3.47Å; Y595-W606 VanDerWaalsContact CZ-CD1 3.47Å; Y595-W606 AromaticContact CZ-NE1 3.14Å; Y595-W606 PolarHBondContact OH-NE1 3.16Å |
| 596 | I | 73.7 | Confident | 76.1 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -34.7 | 179.6 | -68.5 | 169.5 | 0 | 0 | 0 | 110.9 | I592 M593 L598 E600 I603 T646 M649 | I592-I596 HydrophobicContact CG2-CD1 3.67Å; I592-I596 HydrophobicContact CG2-CG1 4.35Å; I592-I596 VanDerWaalsContact O-CG1 3.32Å; I592-I596 WeakPolarHBondContact O-CG1 3.42Å; I592-I596 PolarHBondContact O-N 2.9Å; M593-I596 HydrophobicContact SD-CD1 4.44Å; I596-L598 PolarHBondContact O-N 2.91Å; I596-E600 WeakPolarHBondContact O-CG 3.38Å; I596-I603 HydrophobicContact CD1-CD1 4.07Å; I596-I603 HydrophobicContact CG1-CD1 3.52Å; I596-I603 HydrophobicContact CG1-CG1 4.36Å; I596-T646 HydrophobicContact CG2-CG2 4.43Å; I596-M649 HydrophobicContact CD1-CB 4.36Å; I596-M649 HydrophobicContact CD1-CE 4.43Å; I596-M649 HydrophobicContact CD1-CG 4.03Å; I596-M649 HydrophobicContact CD1-SD 3.74Å; I596-M649 WeakPolarHBondContact CD1-SD 3.06Å |
| 597 | T | 72.4 | Confident | 75.8 | Confident | 113 Ų | 113 | 33.6 Ų | 33.6 | 69% | 0.693 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.7 | 174.7 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | M593 S594 Y595 | M593-T597 WeakPolarHBondContact O-CG2 3.41Å; M593-T597 PolarHBondContact O-N 2.99Å; M593-T597 PolarHBondContact O-OG1 3.27Å; S594-T597 PolarHBondContact O-OG1 3.21Å; Y595-T597 PolarHBondContact O-N 3.05Å |
| 598 | L | 71.9 | Confident | 75.3 | Confident | 39 Ų | 39 | 35.7 Ų | 35.7 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -44.7 | -178 | -62.3 | 170.7 | 0 | 0 | 0 | 112.9 | E552 W555 I556 S594 Y595 I596 | E552-L598 HydrophobicContact CB-CD2 3.75Å; E552-L598 HydrophobicContact CG-CD2 4.4Å; E552-L598 VanDerWaalsContact O-CD2 3.26Å; E552-L598 WeakPolarHBondContact O-CD2 3.42Å; W555-L598 HydrophobicContact CB-CD1 4.14Å; W555-L598 VanDerWaalsContact CD1-CD1 3.46Å; W555-L598 HydrophobicContact CG-CD1 4.13Å; I556-L598 HydrophobicContact CD1-CB 4.11Å; I556-L598 HydrophobicContact CG1-CB 3.81Å; I556-L598 HydrophobicContact CG1-CD1 3.66Å; I556-L598 HydrophobicContact CG1-CG 4.22Å; S594-L598 WeakPolarHBondContact O-CD1 3.21Å; S594-L598 WeakPolarHBondContact O-CG 3.43Å; Y595-L598 WeakPolarHBondContact O-CA 3.38Å; Y595-L598 WeakPolarHBondContact O-CB 3.33Å; Y595-L598 PolarHBondContact O-N 3.07Å; I596-L598 PolarHBondContact O-N 2.91Å |
| 599 | D | 70.4 | Confident | 74.5 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | trans | -146.5 | 104.8 | -177.9 | 171.5 | 36.4 | 0 | 0 | 0 | 108.7 | L396 Y595 D601 H602 | L396-D599 HydrophobicContact CD1-CB 4Å; L396-D599 HydrophobicContact CD2-CB 3.73Å; Y595-D599 WeakPolarHBondContact CD1-O 3.35Å; Y595-D599 HydrophobicContact CE1-CB 3.81Å; Y595-D599 VanDerWaalsContact CE1-O 3.27Å; Y595-D599 WeakPolarHBondContact CE1-O 3.44Å; Y595-D599 PolarHBondContact O-N 3.17Å; Y595-D599 PolarHBondContact OH-OD2 3.33Å; D599-D601 PolarHBondContact OD1-N 3.17Å; D599-H602 IonicContact OD1-CE1 3.27Å; D599-H602 IonicContact OD1-ND1 3.8Å; D599-H602 PolarHBondContact OD1-ND1 3.38Å; D599-H602 WeakPolarHBondContact OD2-CB 3.35Å; D599-H602 IonicContact OD2-CG 3.84Å; D599-H602 PolarHBondContact OD2-N 3.29Å; D599-H602 IonicContact OD2-ND1 2.72Å; D599-H602 PolarHBondContact OD2-ND1 3.01Å; D599-H602 VanDerWaalsContact OD2-ND1 3.12Å | ||
| 600 | E | 66.8 | Low | 74.1 | Confident | 92.5 Ų | 92.5 | 37.2 Ų | 37.2 | 43% | 0.432 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -68 | -40.4 | -176.9 | -63.9 | -171.5 | -177.7 | 0 | 0 | 110.4 | I596 T646 P648 | I596-E600 WeakPolarHBondContact O-CG 3.38Å; E600-T646 VanDerWaalsContact CD-CG2 3.43Å; E600-T646 HydrophobicContact CG-CG2 4.17Å; E600-T646 VanDerWaalsContact OE1-CG2 3.25Å; E600-T646 WeakPolarHBondContact OE1-CG2 3.35Å; E600-T646 WeakPolarHBondContact OE2-CB 3.38Å; E600-T646 WeakPolarHBondContact OE2-CG2 3.35Å; E600-P648 HydrophobicContact CB-CG 3.71Å; E600-P648 WeakPolarHBondContact O-CB 3.38Å; E600-P648 WeakPolarHBondContact O-CG 3.22Å |
| 601 | D | 67.8 | Low | 73.4 | Confident | 116 Ų | 116 | 34 Ų | 34 | 62% | 0.62 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -29.8 | -162.2 | -69.6 | -35.4 | 0 | 0 | 0 | 115 | D599 | D599-D601 PolarHBondContact OD1-N 3.17Š|
| 602 | H | 72.2 | Confident | 72.5 | Confident | 64.6667 Ų | 64.6667 | 37.1 Ų | 37.1 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 9.3 | -165.7 | -50.1 | 85.7 | 0 | 0 | 0 | 115.1 | I400 D599 T604 I605 | I400-H602 HydrophobicContact CD1-CB 4.27Å; I400-H602 WeakPolarHBondContact CD1-ND1 3.45Å; I400-H602 HydrophobicContact CG1-CB 4.31Å; D599-H602 IonicContact OD1-CE1 3.27Å; D599-H602 IonicContact OD1-ND1 3.8Å; D599-H602 PolarHBondContact OD1-ND1 3.38Å; D599-H602 WeakPolarHBondContact OD2-CB 3.35Å; D599-H602 IonicContact OD2-CG 3.84Å; D599-H602 PolarHBondContact OD2-N 3.29Å; D599-H602 IonicContact OD2-ND1 2.72Å; D599-H602 PolarHBondContact OD2-ND1 3.01Å; D599-H602 VanDerWaalsContact OD2-ND1 3.12Å; H602-T604 PolarHBondContact O-N 3.36Å; H602-T604 VanDerWaalsContact O-N 3.11Å; H602-I605 HydrophobicContact CB-CD1 3.92Å; H602-I605 HydrophobicContact CB-CG1 4.27Å; H602-I605 VanDerWaalsContact O-CB 3.31Å; H602-I605 WeakPolarHBondContact O-CB 3.34Å; H602-I605 WeakPolarHBondContact O-CG1 3.35Å; H602-I605 PolarHBondContact O-N 2.96Å |
| 603 | I | 74.8 | Confident | 71.3 | Confident | 0.333333 Ų | 0.333333 | 40.3 Ų | 40.3 | 0% | 0.002 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -32.9 | -179.9 | -167.1 | 132.9 | 0 | 0 | 0 | 113.3 | I563 I592 Y595 I596 I605 W606 L607 L652 | I563-I603 HydrophobicContact CD1-CD1 4.01Å; I592-I603 HydrophobicContact CB-CD1 4.2Å; I592-I603 HydrophobicContact CG1-CD1 4.4Å; I592-I603 HydrophobicContact CG2-CD1 4Å; I592-I603 HydrophobicContact CG2-CG1 4.36Å; Y595-I603 HydrophobicContact CD1-CB 3.89Å; Y595-I603 HydrophobicContact CD1-CD1 3.64Å; Y595-I603 HydrophobicContact CD1-CG1 4.04Å; Y595-I603 HydrophobicContact CE1-CB 4.1Å; Y595-I603 HydrophobicContact CE1-CD1 4.19Å; Y595-I603 HydrophobicContact CE1-CG1 4.42Å; Y595-I603 HydrophobicContact CG-CD1 4.02Å; Y595-I603 HydrophobicContact CG-CG1 4.47Å; I596-I603 HydrophobicContact CD1-CD1 4.07Å; I596-I603 HydrophobicContact CG1-CD1 3.52Å; I596-I603 HydrophobicContact CG1-CG1 4.36Å; I603-I605 PolarHBondContact O-N 3.24Å; I603-I605 VanDerWaalsContact O-N 3.16Å; I603-W606 PolarHBondContact O-N 2.85Å; I603-W606 VanDerWaalsContact O-N 3.11Å; I603-L607 HydrophobicContact CD1-CD1 4.4Å; I603-L607 HydrophobicContact CG1-CD1 4Å; I603-L607 HydrophobicContact CG1-CG 4.47Å; I603-L607 PolarHBondContact O-N 3.35Å; I603-L607 VanDerWaalsContact O-N 3.15Å; I603-L652 HydrophobicContact CG1-CD2 4.39Å; I603-L652 HydrophobicContact CG2-CD2 4.41Å |
| 604 | T | 71 | Confident | 69.9 | Low | 29.3333 Ų | 29.3333 | 40.1 Ų | 40.1 | 18% | 0.18 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -22.4 | -179.8 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | H602 H608 L652 R655 | H602-T604 PolarHBondContact O-N 3.36Å; H602-T604 VanDerWaalsContact O-N 3.11Å; T604-H608 PolarHBondContact O-N 3.27Å; T604-H608 VanDerWaalsContact O-N 3.15Å; T604-L652 HydrophobicContact CG2-CD1 4.46Å; T604-R655 VanDerWaalsContact CB-NH1 3.34Å; T604-R655 PolarHBondContact OG1-NH1 3.26Å |
| 605 | I | 71.6 | Confident | 68.5 | Low | 27 Ų | 27 | 41.1 Ų | 41.1 | 14% | 0.138 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -43.1 | 175.3 | -58.3 | -176.5 | 0 | 0 | 0 | 110 | I400 E403 M404 I407 H602 I603 H608 | I400-I605 HydrophobicContact CG2-CD1 4.08Å; E403-I605 HydrophobicContact CB-CG2 3.67Å; E403-I605 HydrophobicContact CG-CG2 4.36Å; M404-I605 HydrophobicContact CG-CD1 4.1Å; M404-I605 HydrophobicContact SD-CD1 4.12Å; I407-I605 HydrophobicContact CD1-CG2 3.9Å; H602-I605 HydrophobicContact CB-CD1 3.92Å; H602-I605 HydrophobicContact CB-CG1 4.27Å; H602-I605 VanDerWaalsContact O-CB 3.31Å; H602-I605 WeakPolarHBondContact O-CB 3.34Å; H602-I605 WeakPolarHBondContact O-CG1 3.35Å; H602-I605 PolarHBondContact O-N 2.96Å; I603-I605 PolarHBondContact O-N 3.24Å; I603-I605 VanDerWaalsContact O-N 3.16Å; I605-H608 VanDerWaalsContact O-CB 3.28Å; I605-H608 WeakPolarHBondContact O-CB 3.45Å; I605-H608 PolarHBondContact O-N 2.8Å |
| 606 | W | 74.9 | Confident | 67.1 | Low | 8 Ų | 8 | 48.1 Ų | 48.1 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.4 | -29 | -178.9 | -56.2 | 112 | 0 | 0 | 0 | 113 | I399 E403 Y510 G560 P561 I563 S564 Y595 I603 H608 | I399-W606 HydrophobicContact CG2-CH2 3.53Å; I399-W606 HydrophobicContact CG2-CZ2 3.59Å; E403-W606 HydrophobicContact CG-CH2 3.54Å; E403-W606 HydrophobicContact CG-CZ2 4.2Å; E403-W606 HydrophobicContact CG-CZ3 3.88Å; E403-W606 WeakPolarHBondContact OE1-CH2 3.23Å; E403-W606 VanDerWaalsContact OE1-CZ3 3.32Å; E403-W606 WeakPolarHBondContact OE1-CZ3 3.25Å; Y510-W606 AromaticContact CE2-CH2 3.72Å; Y510-W606 HydrophobicContact CE2-CH2 3.72Å; Y510-W606 HydrophobicContact CE2-CZ2 4.47Å; Y510-W606 HydrophobicContact CE2-CZ3 4.35Å; G560-W606 VanDerWaalsContact CA-CE2 3.45Å; P561-W606 HydrophobicContact CB-CZ3 4.27Å; P561-W606 HydrophobicContact CG-CH2 4.01Å; P561-W606 HydrophobicContact CG-CZ3 3.94Å; I563-W606 HydrophobicContact CB-CB 4.22Å; I563-W606 HydrophobicContact CG2-CB 4.08Å; S564-W606 WeakPolarHBondContact CA-O 3.23Å; Y595-W606 AromaticContact CE1-CD1 3.99Å; Y595-W606 AromaticContact CE2-CD1 3.55Å; Y595-W606 AromaticContact CE2-NE1 3.2Å; Y595-W606 AromaticContact CZ-CD1 3.47Å; Y595-W606 VanDerWaalsContact CZ-CD1 3.47Å; Y595-W606 AromaticContact CZ-NE1 3.14Å; Y595-W606 PolarHBondContact OH-NE1 3.16Å; I603-W606 PolarHBondContact O-N 2.85Å; I603-W606 VanDerWaalsContact O-N 3.11Å; W606-H608 VanDerWaalsContact C-N 3.32Å |
| 607 | L | 76.4 | Confident | 65.6 | Low | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 5.5 | 177 | -67.9 | 170.1 | 0 | 0 | 0 | 113.6 | I563 I592 I603 Y609 L610 L611 L652 | I563-L607 HydrophobicContact CG2-CD2 3.58Å; I563-L607 HydrophobicContact CG2-CG 4.07Å; I592-L607 HydrophobicContact CD1-CD1 4.07Å; I592-L607 HydrophobicContact CD1-CD2 4.09Å; I592-L607 HydrophobicContact CG1-CD1 4.29Å; I592-L607 HydrophobicContact CG1-CD2 4.45Å; I603-L607 HydrophobicContact CD1-CD1 4.4Å; I603-L607 HydrophobicContact CG1-CD1 4Å; I603-L607 HydrophobicContact CG1-CG 4.47Å; I603-L607 PolarHBondContact O-N 3.35Å; I603-L607 VanDerWaalsContact O-N 3.15Å; L607-Y609 VanDerWaalsContact C-N 3.3Å; L607-Y609 PolarHBondContact O-N 2.97Å; L607-Y609 VanDerWaalsContact O-N 3.15Å; L607-L610 PolarHBondContact O-N 3.22Å; L607-L611 HydrophobicContact CB-CD1 4.15Å; L607-L611 HydrophobicContact CB-CG 4.4Å; L607-L611 WeakPolarHBondContact O-CG 3.45Å; L607-L611 PolarHBondContact O-N 3.12Å; L607-L652 HydrophobicContact CD1-CD1 3.48Å; L607-L652 VanDerWaalsContact CD1-CD1 3.47Å; L607-L652 HydrophobicContact CD1-CD2 3.77Å; L607-L652 HydrophobicContact CD1-CG 4.28Å |
| 608 | H | 71.3 | Confident | 64.3 | Low | 63 Ų | 63 | 49.2 Ų | 49.2 | 29% | 0.292 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -52.9 | -41.3 | -176 | 177.5 | 63 | 0 | 0 | 0 | 112.9 | I407 T604 I605 W606 L610 L611 D612 | I407-H608 HydrophobicContact CD1-CB 4.16Å; T604-H608 PolarHBondContact O-N 3.27Å; T604-H608 VanDerWaalsContact O-N 3.15Å; I605-H608 VanDerWaalsContact O-CB 3.28Å; I605-H608 WeakPolarHBondContact O-CB 3.45Å; I605-H608 PolarHBondContact O-N 2.8Å; W606-H608 VanDerWaalsContact C-N 3.32Å; H608-L610 VanDerWaalsContact C-N 3.3Å; H608-L610 PolarHBondContact O-N 3.13Å; H608-L611 PolarHBondContact O-N 3.26Å; H608-D612 IonicContact CE1-OD2 3.62Å; H608-D612 PolarHBondContact CE1-OD2 3Å; H608-D612 VanDerWaalsContact CE1-OD2 3.29Å; H608-D612 IonicContact ND1-OD2 2.86Å; H608-D612 IonicContact NE2-OD2 3.16Å; H608-D612 VanDerWaalsContact O-CB 3.22Å; H608-D612 WeakPolarHBondContact O-CB 3.31Å; H608-D612 PolarHBondContact O-N 3.32Å |
| 609 | Y | 67.8 | Low | 63.2 | Low | 32.3333 Ų | 32.3333 | 52.1 Ų | 52.1 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 178.2 | -98.6 | -75.8 | 0 | 0 | 0 | 113.4 | N518 I521 L607 K613 | N518-Y609 PolarHBondContact OD1-OH 3.17Å; I521-Y609 HydrophobicContact CD1-CD1 3.92Å; I521-Y609 HydrophobicContact CD1-CD2 4.09Å; I521-Y609 HydrophobicContact CD1-CE1 3.41Å; I521-Y609 VanDerWaalsContact CD1-CE1 3.48Å; I521-Y609 HydrophobicContact CD1-CE2 3.57Å; I521-Y609 HydrophobicContact CD1-CG 4.24Å; I521-Y609 WeakPolarHBondContact CD1-OH 3.45Å; I521-Y609 HydrophobicContact CG1-CE1 4.43Å; L607-Y609 VanDerWaalsContact C-N 3.3Å; L607-Y609 PolarHBondContact O-N 2.97Å; L607-Y609 VanDerWaalsContact O-N 3.15Å; Y609-K613 HydrophobicContact CD1-CD 4.28Å; Y609-K613 HydrophobicContact CD2-CD 4.24Å; Y609-K613 HydrophobicContact CE1-CD 4.42Å; Y609-K613 HydrophobicContact CE2-CD 3.83Å; Y609-K613 PolarHBondContact O-N 3.12Å |
| 610 | L | 72.9 | Confident | 62.3 | Low | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -76.7 | -34.7 | 177.7 | -173.5 | 152.5 | 0 | 0 | 0 | 111.3 | C567 M570 L588 L607 H608 V627 K628 L631 L656 | C567-L610 HydrophobicContact CB-CB 4.46Å; M570-L610 HydrophobicContact CE-CD1 4.25Å; M570-L610 HydrophobicContact CE-CG 4.46Å; M570-L610 HydrophobicContact SD-CD1 3.65Å; M570-L610 HydrophobicContact SD-CG 4.31Å; L588-L610 HydrophobicContact CD1-CD1 4.22Å; L607-L610 PolarHBondContact O-N 3.22Å; H608-L610 VanDerWaalsContact C-N 3.3Å; H608-L610 PolarHBondContact O-N 3.13Å; L610-V627 HydrophobicContact CD1-CG1 4.45Å; L610-K628 HydrophobicContact CD2-CD 4.42Å; L610-K628 HydrophobicContact CD2-CG 3.9Å; L610-K628 HydrophobicContact CG-CG 4.29Å; L610-K628 WeakPolarHBondContact O-CE 3.25Å; L610-K628 PolarHBondContact O-NZ 3.05Å; L610-L631 HydrophobicContact CD1-CD1 3.87Å; L610-L656 HydrophobicContact CD2-CD2 3.38Å |
| 611 | L | 67.5 | Low | 61.9 | Low | 23.6667 Ų | 23.6667 | 49.8 Ų | 49.8 | 12% | 0.124 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -80.5 | -30.9 | -178 | -67.3 | 171.4 | 0 | 0 | 0 | 113.6 | L607 H608 L652 R655 L656 | L607-L611 HydrophobicContact CB-CD1 4.15Å; L607-L611 HydrophobicContact CB-CG 4.4Å; L607-L611 WeakPolarHBondContact O-CG 3.45Å; L607-L611 PolarHBondContact O-N 3.12Å; H608-L611 PolarHBondContact O-N 3.26Å; L611-L652 HydrophobicContact CD1-CD1 4.22Å; L611-R655 HydrophobicContact CD1-CB 4.41Å; L611-R655 HydrophobicContact CD2-CB 3.96Å; L611-L656 HydrophobicContact CD2-CD2 3.84Å; L611-L656 HydrophobicContact CD2-CG 3.99Å |
| 612 | D | 63.1 | Low | 61.9 | Low | 71.6667 Ų | 71.6667 | 49.3 Ų | 49.3 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -102.9 | -46.6 | -169.8 | -152.6 | 21.3 | 0 | 0 | 0 | 114.6 | H608 T676 | H608-D612 IonicContact CE1-OD2 3.62Å; H608-D612 PolarHBondContact CE1-OD2 3Å; H608-D612 VanDerWaalsContact CE1-OD2 3.29Å; H608-D612 IonicContact ND1-OD2 2.86Å; H608-D612 IonicContact NE2-OD2 3.16Å; H608-D612 VanDerWaalsContact O-CB 3.22Å; H608-D612 WeakPolarHBondContact O-CB 3.31Å; H608-D612 PolarHBondContact O-N 3.32Å; D612-T676 VanDerWaalsContact OD1-CB 3.32Å; D612-T676 WeakPolarHBondContact OD1-CB 3.4Å; D612-T676 VanDerWaalsContact OD1-CG2 3.26Å; D612-T676 WeakPolarHBondContact OD1-CG2 3.39Å; D612-T676 PolarHBondContact OD1-OG1 3.26Å |
| 613 | K | 55 | Low | 61.8 | Low | 69.6667 Ų | 69.6667 | 47.8 Ų | 47.8 | 30% | 0.303 | 26% | 0.264 | S | S | . | . | trans | -92.2 | 111.2 | -175.5 | -107.7 | -168.4 | -177.9 | 180 | 0 | 112.4 | S461 D462 Y609 S615 D670 | S461-K613 PolarHBondContact O-NZ 3.01Å; S461-K613 VanDerWaalsContact O-NZ 3.11Å; S461-K613 PolarHBondContact OG-NZ 2.88Å; D462-K613 WeakPolarHBondContact OD1-CE 3.49Å; D462-K613 IonicContact OD1-NZ 2.67Å; D462-K613 PolarHBondContact OD1-NZ 3.45Å; Y609-K613 HydrophobicContact CD1-CD 4.28Å; Y609-K613 HydrophobicContact CD2-CD 4.24Å; Y609-K613 HydrophobicContact CE1-CD 4.42Å; Y609-K613 HydrophobicContact CE2-CD 3.83Å; Y609-K613 PolarHBondContact O-N 3.12Å; K613-S615 PolarHBondContact O-N 2.61Å; K613-D670 WeakPolarHBondContact CD-OD1 3.1Å; K613-D670 WeakPolarHBondContact CE-OD1 3.4Å; K613-D670 IonicContact NZ-OD1 3.9Å; K613-D670 PolarHBondContact NZ-OD1 3.48Å | ||
| 614 | M | 51.7 | Low | 61.7 | Low | 45.6667 Ų | 45.6667 | 48.5 Ų | 48.5 | 23% | 0.225 | 27% | 0.268 | C | S | . | . | trans | -72.4 | 134.6 | 161.6 | -67.7 | -77 | -86.9 | 0 | 0 | 109.7 | K616 G621 E624 L625 | M614-K616 PolarHBondContact O-N 2.99Å; M614-K616 VanDerWaalsContact O-N 3.13Å; M614-G621 WeakPolarHBondContact CE-O 3.36Å; M614-E624 HydrophobicContact CE-CB 4.09Å; M614-E624 HydrophobicContact SD-CB 4.2Å; M614-E624 VanDerWaalsContact SD-CD 3.52Å; M614-E624 HydrophobicContact SD-CG 4.19Å; M614-E624 VanDerWaalsContact SD-OE1 3.36Å; M614-L625 HydrophobicContact CE-CB 3.8Å; M614-L625 HydrophobicContact CE-CD1 4.16Å; M614-L625 HydrophobicContact CE-CG 4.38Å | ||
| 615 | S | 48.6 | Very low | 61.8 | Low | 36 Ų | 36 | 48.3 Ų | 48.3 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | trans | -59.7 | 123.4 | 171.7 | 58.4 | 0 | 0 | 0 | 0 | 110 | K613 S617 G621 E624 | K613-S615 PolarHBondContact O-N 2.61Å; S615-S617 PolarHBondContact O-N 3.23Å; S615-S617 VanDerWaalsContact O-N 3.13Å; S615-G621 PolarHBondContact OG-N 3.31Å; S615-E624 PolarHBondContact N-OE2 3.37Å | ||
| 616 | K | 47.5 | Very low | 62 | Low | 147.333 Ų | 147.333 | 47.6 Ų | 47.6 | 64% | 0.641 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -68.3 | -6.9 | -179.1 | -69.3 | -178.4 | 177.6 | -179.9 | 0 | 113.9 | M614 N681 F683 | M614-K616 PolarHBondContact O-N 2.99Å; M614-K616 VanDerWaalsContact O-N 3.13Å; K616-N681 WeakPolarHBondContact CE-OD1 3.24Å; K616-F683 HydrophobicContact CB-CE2 4.29Å; K616-F683 HydrophobicContact CB-CZ 4.49Å |
| 617 | S | 41.7 | Very low | 62.2 | Low | 74.3333 Ų | 74.3333 | 47.2 Ų | 47.2 | 52% | 0.52 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -107.2 | 100.7 | -169.2 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | S615 S619 D620 | S615-S617 PolarHBondContact O-N 3.23Å; S615-S617 VanDerWaalsContact O-N 3.13Å; S617-S619 PolarHBondContact O-N 2.98Å; S617-S619 VanDerWaalsContact O-N 3.15Å; S617-D620 WeakPolarHBondContact CB-OD2 3.27Å; S617-D620 PolarHBondContact O-N 3.41Å; S617-D620 PolarHBondContact OG-OD2 3.23Å |
| 618 | S | 45.4 | Very low | 62.4 | Low | 74.3333 Ų | 74.3333 | 47.1 Ų | 47.1 | 52% | 0.52 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -83.7 | 150.4 | 175.9 | 58.3 | 0 | 0 | 0 | 0 | 115.8 | D620 G621 | S618-D620 WeakPolarHBondContact CB-OD2 3.41Å; S618-D620 PolarHBondContact O-N 3.14Å; S618-D620 VanDerWaalsContact OG-CB 3.3Å; S618-D620 WeakPolarHBondContact OG-CB 3.33Å; S618-D620 VanDerWaalsContact OG-CG 3.3Å; S618-D620 PolarHBondContact OG-OD2 2.9Å; S618-G621 PolarHBondContact O-N 3.02Å |
| 619 | S | 49.2 | Very low | 62.8 | Low | 100 Ų | 100 | 45.2 Ų | 45.2 | 70% | 0.699 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -11.8 | 176.4 | 47.1 | 0 | 0 | 0 | 0 | 116 | S617 | S617-S619 PolarHBondContact O-N 2.98Å; S617-S619 VanDerWaalsContact O-N 3.15Å |
| 620 | D | 50.1 | Low | 63.5 | Low | 42.6667 Ų | 42.6667 | 44.7 Ų | 44.7 | 23% | 0.228 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -16.7 | -170.4 | -59.4 | -37.8 | 0 | 0 | 0 | 113.6 | S574 S617 S618 N622 F623 | S574-D620 PolarHBondContact OG-OD1 3.34Å; S617-D620 WeakPolarHBondContact CB-OD2 3.27Å; S617-D620 PolarHBondContact O-N 3.41Å; S617-D620 PolarHBondContact OG-OD2 3.23Å; S618-D620 WeakPolarHBondContact CB-OD2 3.41Å; S618-D620 PolarHBondContact O-N 3.14Å; S618-D620 VanDerWaalsContact OG-CB 3.3Å; S618-D620 WeakPolarHBondContact OG-CB 3.33Å; S618-D620 VanDerWaalsContact OG-CG 3.3Å; S618-D620 PolarHBondContact OG-OD2 2.9Å; D620-N622 PolarHBondContact O-N 3.04Å; D620-N622 VanDerWaalsContact O-N 3.13Å; D620-F623 PolarHBondContact O-N 3.41Å; D620-F623 VanDerWaalsContact O-N 3.11Å |
| 621 | G | 59.4 | Low | 64 | Low | 15 Ų | 15 | 44.6 Ų | 44.6 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58 | -24.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | M614 S615 S618 F623 E624 L625 | M614-G621 WeakPolarHBondContact CE-O 3.36Å; S615-G621 PolarHBondContact OG-N 3.31Å; S618-G621 PolarHBondContact O-N 3.02Å; G621-F623 VanDerWaalsContact C-N 3.35Å; G621-F623 PolarHBondContact O-N 3.46Å; G621-E624 PolarHBondContact O-N 3.26Å; G621-L625 VanDerWaalsContact O-CB 3.27Å; G621-L625 WeakPolarHBondContact O-CB 3.43Å; G621-L625 PolarHBondContact O-N 3.05Å |
| 622 | N | 67.7 | Low | 64.7 | Low | 105 Ų | 105 | 43.4 Ų | 43.4 | 56% | 0.561 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.3 | -38.1 | 178.4 | -71.8 | -7.1 | 0 | 0 | 0 | 112.6 | D620 A626 L697 | D620-N622 PolarHBondContact O-N 3.04Å; D620-N622 VanDerWaalsContact O-N 3.13Å; N622-A626 VanDerWaalsContact O-CB 3.28Å; N622-A626 WeakPolarHBondContact O-CB 3.35Å; N622-A626 PolarHBondContact O-N 3.2Å; N622-L697 HydrophobicContact CB-CD1 4.42Å |
| 623 | F | 70.9 | Confident | 65.7 | Low | 33.3333 Ų | 33.3333 | 41.5 Ų | 41.5 | 15% | 0.146 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.9 | -41 | 178.5 | -176.4 | -94.7 | 0 | 0 | 0 | 111.3 | F573 A581 L584 D620 G621 L625 A626 V627 | F573-F623 HydrophobicContact CB-CD1 4.31Å; F573-F623 HydrophobicContact CB-CE1 3.54Å; F573-F623 VanDerWaalsContact CB-CE1 3.44Å; F573-F623 HydrophobicContact CB-CE2 4.41Å; F573-F623 HydrophobicContact CB-CZ 3.62Å; A581-F623 HydrophobicContact CB-CD2 4.41Å; A581-F623 HydrophobicContact CB-CE2 4.01Å; A581-F623 HydrophobicContact CB-CZ 4.37Å; L584-F623 HydrophobicContact CD1-CE1 4.09Å; L584-F623 HydrophobicContact CD1-CZ 4.29Å; D620-F623 PolarHBondContact O-N 3.41Å; D620-F623 VanDerWaalsContact O-N 3.11Å; G621-F623 VanDerWaalsContact C-N 3.35Å; G621-F623 PolarHBondContact O-N 3.46Å; F623-L625 VanDerWaalsContact C-N 3.31Å; F623-L625 PolarHBondContact O-N 3.37Å; F623-A626 WeakPolarHBondContact O-CB 3.21Å; F623-A626 PolarHBondContact O-N 3.11Å; F623-V627 HydrophobicContact CD1-CG2 4.1Å; F623-V627 HydrophobicContact CE1-CG2 3.7Å; F623-V627 HydrophobicContact CZ-CG2 4.02Å; F623-V627 WeakPolarHBondContact O-CG2 3.37Å; F623-V627 PolarHBondContact O-N 3.3Å |
| 624 | E | 71.5 | Confident | 67 | Low | 16 Ų | 16 | 40.3 Ų | 40.3 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.3 | -158.6 | -164.9 | 139.3 | 0 | 0 | 111.1 | M570 M614 S615 G621 V627 K628 | M570-E624 HydrophobicContact CE-CB 4.44Å; M570-E624 HydrophobicContact CE-CG 3.74Å; M614-E624 HydrophobicContact CE-CB 4.09Å; M614-E624 HydrophobicContact SD-CB 4.2Å; M614-E624 VanDerWaalsContact SD-CD 3.52Å; M614-E624 HydrophobicContact SD-CG 4.19Å; M614-E624 VanDerWaalsContact SD-OE1 3.36Å; S615-E624 PolarHBondContact N-OE2 3.37Å; G621-E624 PolarHBondContact O-N 3.26Å; E624-V627 PolarHBondContact O-N 3.25Å; E624-K628 WeakPolarHBondContact O-CG 3.27Å; E624-K628 PolarHBondContact O-N 3.23Å; E624-K628 WeakPolarHBondContact OE1-CE 3.38Å; E624-K628 IonicContact OE1-NZ 2.87Å; E624-K628 PolarHBondContact OE1-NZ 3.25Å |
| 625 | L | 73.9 | Confident | 68.5 | Low | 23.3333 Ų | 23.3333 | 38.1 Ų | 38.1 | 12% | 0.122 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 176.7 | -161.5 | 150.1 | 0 | 0 | 0 | 111.4 | M614 G621 F623 V627 K628 Q629 S663 V664 L697 | M614-L625 HydrophobicContact CE-CB 3.8Å; M614-L625 HydrophobicContact CE-CD1 4.16Å; M614-L625 HydrophobicContact CE-CG 4.38Å; G621-L625 VanDerWaalsContact O-CB 3.27Å; G621-L625 WeakPolarHBondContact O-CB 3.43Å; G621-L625 PolarHBondContact O-N 3.05Å; F623-L625 VanDerWaalsContact C-N 3.31Å; F623-L625 PolarHBondContact O-N 3.37Å; L625-V627 PolarHBondContact O-N 2.89Å; L625-K628 PolarHBondContact O-N 3.05Å; L625-Q629 VanDerWaalsContact CD2-CD 3.46Å; L625-Q629 HydrophobicContact CD2-CG 4.09Å; L625-Q629 VanDerWaalsContact CD2-NE2 3.32Å; L625-Q629 VanDerWaalsContact O-CG 3.3Å; L625-Q629 WeakPolarHBondContact O-CG 3.42Å; L625-Q629 PolarHBondContact O-N 3.3Å; L625-S663 WeakPolarHBondContact CD1-OG 3.34Å; L625-V664 HydrophobicContact CD1-CG2 4.24Å; L625-V664 HydrophobicContact CD2-CG2 4.06Å; L625-L697 HydrophobicContact CD2-CD2 4.08Å |
| 626 | A | 76.2 | Confident | 70 | Confident | 12.6667 Ų | 12.6667 | 36.7 Ų | 36.7 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A581 N622 F623 K628 Q629 C630 L697 | A581-A626 HydrophobicContact CB-CB 4.02Å; N622-A626 VanDerWaalsContact O-CB 3.28Å; N622-A626 WeakPolarHBondContact O-CB 3.35Å; N622-A626 PolarHBondContact O-N 3.2Å; F623-A626 WeakPolarHBondContact O-CB 3.21Å; F623-A626 PolarHBondContact O-N 3.11Å; A626-K628 PolarHBondContact O-N 3.43Å; A626-Q629 PolarHBondContact O-N 3.32Å; A626-C630 WeakPolarHBondContact O-CB 3.32Å; A626-C630 PolarHBondContact O-N 3.18Å; A626-C630 PolarHBondContact O-SG 3.1Å; A626-C630 VanDerWaalsContact O-SG 3.42Å; A626-L697 HydrophobicContact CB-CD1 3.91Å; A626-L697 HydrophobicContact CB-CD2 3.5Å; A626-L697 HydrophobicContact CB-CG 4.18Å |
| 627 | V | 78.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | M570 A581 L584 L588 L610 F623 E624 L625 Q629 C630 L631 | M570-V627 HydrophobicContact CE-CB 3.57Å; M570-V627 HydrophobicContact CE-CG1 3.43Å; M570-V627 VanDerWaalsContact CE-CG1 3.43Å; M570-V627 HydrophobicContact CE-CG2 4.07Å; M570-V627 HydrophobicContact SD-CG1 3.92Å; A581-V627 HydrophobicContact CB-CG2 3.72Å; L584-V627 HydrophobicContact CD1-CG2 4.42Å; L584-V627 HydrophobicContact CD2-CB 4.33Å; L584-V627 HydrophobicContact CD2-CG1 3.65Å; L584-V627 HydrophobicContact CD2-CG2 3.96Å; L588-V627 HydrophobicContact CD1-CG1 4.48Å; L610-V627 HydrophobicContact CD1-CG1 4.45Å; F623-V627 HydrophobicContact CD1-CG2 4.1Å; F623-V627 HydrophobicContact CE1-CG2 3.7Å; F623-V627 HydrophobicContact CZ-CG2 4.02Å; F623-V627 WeakPolarHBondContact O-CG2 3.37Å; F623-V627 PolarHBondContact O-N 3.3Å; E624-V627 PolarHBondContact O-N 3.25Å; L625-V627 PolarHBondContact O-N 2.89Å; V627-Q629 VanDerWaalsContact C-N 3.32Å; V627-Q629 PolarHBondContact O-N 3.19Å; V627-C630 PolarHBondContact O-N 3.12Å; V627-L631 HydrophobicContact CG1-CD1 4.05Å; V627-L631 HydrophobicContact CG1-CG 4.11Å; V627-L631 VanDerWaalsContact O-CB 3.26Å; V627-L631 WeakPolarHBondContact O-CB 3.43Å; V627-L631 WeakPolarHBondContact O-CG 3.27Å; V627-L631 PolarHBondContact O-N 3.16Å |
| 628 | K | 80 | Confident | 73.3 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 177.3 | -72.2 | 175.5 | -169.4 | -174.3 | 0 | 111.8 | L610 E624 L625 A626 L631 F632 S659 I660 | L610-K628 HydrophobicContact CD2-CD 4.42Å; L610-K628 HydrophobicContact CD2-CG 3.9Å; L610-K628 HydrophobicContact CG-CG 4.29Å; L610-K628 WeakPolarHBondContact O-CE 3.25Å; L610-K628 PolarHBondContact O-NZ 3.05Å; E624-K628 WeakPolarHBondContact O-CG 3.27Å; E624-K628 PolarHBondContact O-N 3.23Å; E624-K628 WeakPolarHBondContact OE1-CE 3.38Å; E624-K628 IonicContact OE1-NZ 2.87Å; E624-K628 PolarHBondContact OE1-NZ 3.25Å; L625-K628 PolarHBondContact O-N 3.05Å; A626-K628 PolarHBondContact O-N 3.43Å; K628-L631 PolarHBondContact O-N 3.14Å; K628-F632 WeakPolarHBondContact O-CB 3.36Å; K628-F632 PolarHBondContact O-N 3.17Å; K628-S659 PolarHBondContact NZ-OG 3.32Å; K628-I660 HydrophobicContact CB-CD1 4.14Å; K628-I660 HydrophobicContact CB-CG1 3.8Å |
| 629 | Q | 80.4 | Confident | 74.6 | Confident | 21.6667 Ų | 21.6667 | 32.4 Ų | 32.4 | 10% | 0.101 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -50.8 | 176.2 | -74 | 174.7 | -16.7 | 0 | 0 | 111.8 | L625 A626 V627 L631 F632 L633 I660 L697 L700 | L625-Q629 VanDerWaalsContact CD2-CD 3.46Å; L625-Q629 HydrophobicContact CD2-CG 4.09Å; L625-Q629 VanDerWaalsContact CD2-NE2 3.32Å; L625-Q629 VanDerWaalsContact O-CG 3.3Å; L625-Q629 WeakPolarHBondContact O-CG 3.42Å; L625-Q629 PolarHBondContact O-N 3.3Å; A626-Q629 PolarHBondContact O-N 3.32Å; V627-Q629 VanDerWaalsContact C-N 3.32Å; V627-Q629 PolarHBondContact O-N 3.19Å; Q629-L631 VanDerWaalsContact C-N 3.29Å; Q629-L631 PolarHBondContact O-N 3.04Å; Q629-F632 PolarHBondContact O-N 3.19Å; Q629-L633 WeakPolarHBondContact O-CB 3.3Å; Q629-L633 WeakPolarHBondContact O-CG 3.34Å; Q629-L633 PolarHBondContact O-N 3.18Å; Q629-I660 HydrophobicContact CG-CD1 4.33Å; Q629-I660 HydrophobicContact CG-CG1 4.47Å; Q629-I660 HydrophobicContact CG-CG2 3.98Å; Q629-L697 VanDerWaalsContact OE1-CD2 3.29Å; Q629-L700 HydrophobicContact CB-CB 4.43Å; Q629-L700 HydrophobicContact CB-CD1 4.19Å; Q629-L700 VanDerWaalsContact CD-CD1 3.48Å; Q629-L700 HydrophobicContact CG-CB 4.14Å; Q629-L700 HydrophobicContact CG-CD1 3.98Å; Q629-L700 HydrophobicContact CG-CD2 4.45Å |
| 630 | C | 81.9 | Confident | 75.9 | Confident | 21.3333 Ų | 21.3333 | 32.2 Ų | 32.2 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 178 | -70.5 | 0 | 0 | 0 | 0 | 111.7 | A626 V627 L633 K634 | A626-C630 WeakPolarHBondContact O-CB 3.32Å; A626-C630 PolarHBondContact O-N 3.18Å; A626-C630 PolarHBondContact O-SG 3.1Å; A626-C630 VanDerWaalsContact O-SG 3.42Å; V627-C630 PolarHBondContact O-N 3.12Å; C630-L633 PolarHBondContact O-N 3.06Å; C630-K634 VanDerWaalsContact O-CB 3.32Å; C630-K634 WeakPolarHBondContact O-CB 3.29Å; C630-K634 VanDerWaalsContact O-CG 3.27Å; C630-K634 WeakPolarHBondContact O-CG 3.26Å; C630-K634 PolarHBondContact O-N 3.39Å |
| 631 | L | 82.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -45.8 | 178.5 | -137.7 | 160.1 | 0 | 0 | 0 | 111.2 | L588 V589 I592 L610 V627 K628 Q629 L633 K634 L635 L656 | L588-L631 HydrophobicContact CB-CD1 3.82Å; L588-L631 HydrophobicContact CB-CD2 3.66Å; L588-L631 HydrophobicContact CD1-CD1 3.65Å; L588-L631 HydrophobicContact CD1-CD2 4.08Å; L588-L631 HydrophobicContact CD1-CG 4.45Å; L588-L631 HydrophobicContact CG-CD1 4.33Å; V589-L631 HydrophobicContact CG2-CD2 4.03Å; I592-L631 HydrophobicContact CD1-CD1 4.03Å; I592-L631 HydrophobicContact CD1-CD2 4.35Å; I592-L631 HydrophobicContact CD1-CG 4.46Å; L610-L631 HydrophobicContact CD1-CD1 3.87Å; V627-L631 HydrophobicContact CG1-CD1 4.05Å; V627-L631 HydrophobicContact CG1-CG 4.11Å; V627-L631 VanDerWaalsContact O-CB 3.26Å; V627-L631 WeakPolarHBondContact O-CB 3.43Å; V627-L631 WeakPolarHBondContact O-CG 3.27Å; V627-L631 PolarHBondContact O-N 3.16Å; K628-L631 PolarHBondContact O-N 3.14Å; Q629-L631 VanDerWaalsContact C-N 3.29Å; Q629-L631 PolarHBondContact O-N 3.04Å; L631-L633 PolarHBondContact O-N 3Å; L631-K634 PolarHBondContact O-N 3.48Å; L631-L635 HydrophobicContact CD2-CD1 3.41Å; L631-L635 VanDerWaalsContact CD2-CD1 3.44Å; L631-L635 HydrophobicContact CD2-CG 4.01Å; L631-L635 HydrophobicContact CG-CD1 4.32Å; L631-L635 VanDerWaalsContact O-CB 3.28Å; L631-L635 WeakPolarHBondContact O-CB 3.39Å; L631-L635 VanDerWaalsContact O-CG 3.25Å; L631-L635 WeakPolarHBondContact O-CG 3.32Å; L631-L635 PolarHBondContact O-N 3.23Å; L631-L656 HydrophobicContact CD2-CD1 3.6Å; L631-L656 VanDerWaalsContact CD2-CD1 3.41Å; L631-L656 HydrophobicContact CD2-CD2 4.11Å; L631-L656 HydrophobicContact CD2-CG 4.44Å |
| 632 | F | 84.3 | Confident | 77.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.7 | -49.8 | 174.3 | 175 | -96.4 | 0 | 0 | 0 | 111.2 | K628 Q629 K634 F636 L653 L656 I660 L700 Y705 F708 | K628-F632 WeakPolarHBondContact O-CB 3.36Å; K628-F632 PolarHBondContact O-N 3.17Å; Q629-F632 PolarHBondContact O-N 3.19Å; F632-K634 PolarHBondContact O-N 2.83Å; F632-F636 WeakPolarHBondContact O-CB 3.33Å; F632-F636 PolarHBondContact O-N 2.99Å; F632-L653 HydrophobicContact CD2-CB 4.49Å; F632-L653 HydrophobicContact CD2-CD2 3.63Å; F632-L653 HydrophobicContact CE2-CB 4.27Å; F632-L653 HydrophobicContact CE2-CD2 4.03Å; F632-L653 HydrophobicContact CG-CD2 4.44Å; F632-L656 HydrophobicContact CD2-CB 4.38Å; F632-I660 HydrophobicContact CB-CD1 3.94Å; F632-I660 HydrophobicContact CG-CD1 4.38Å; F632-L700 HydrophobicContact CD1-CD1 4.03Å; F632-L700 HydrophobicContact CE1-CD1 4.06Å; F632-Y705 HydrophobicContact CD1-CE1 4.32Å; F632-Y705 HydrophobicContact CD2-CE1 4.46Å; F632-Y705 HydrophobicContact CE1-CD1 4.08Å; F632-Y705 AromaticContact CE1-CE1 3.85Å; F632-Y705 HydrophobicContact CE1-CE1 3.85Å; F632-Y705 HydrophobicContact CE2-CD1 4.29Å; F632-Y705 HydrophobicContact CE2-CE1 4.26Å; F632-Y705 AromaticContact CZ-CD1 3.8Å; F632-Y705 HydrophobicContact CZ-CD1 3.8Å; F632-Y705 AromaticContact CZ-CE1 3.83Å; F632-Y705 HydrophobicContact CZ-CE1 3.83Å; F632-F708 HydrophobicContact CE2-CD1 4.21Å; F632-F708 HydrophobicContact CE2-CD2 4.47Å; F632-F708 HydrophobicContact CE2-CE1 4.39Å; F632-F708 HydrophobicContact CE2-CG 4.39Å; F632-F708 HydrophobicContact CZ-CB 4.12Å; F632-F708 HydrophobicContact CZ-CD1 4.11Å; F632-F708 HydrophobicContact CZ-CD2 4.31Å; F632-F708 AromaticContact CZ-CG 3.87Å; F632-F708 HydrophobicContact CZ-CG 4.02Å |
| 633 | L | 83.6 | Confident | 77.1 | Confident | 30.6667 Ų | 30.6667 | 41.5 Ų | 41.5 | 16% | 0.161 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | -179.2 | -79.4 | 174.4 | 0 | 0 | 0 | 113.2 | Q629 C630 L631 F636 K637 L700 E704 | Q629-L633 WeakPolarHBondContact O-CB 3.3Å; Q629-L633 WeakPolarHBondContact O-CG 3.34Å; Q629-L633 PolarHBondContact O-N 3.18Å; C630-L633 PolarHBondContact O-N 3.06Å; L631-L633 PolarHBondContact O-N 3Å; L633-F636 PolarHBondContact O-N 3.03Å; L633-K637 VanDerWaalsContact O-CB 3.32Å; L633-K637 WeakPolarHBondContact O-CB 3.34Å; L633-K637 VanDerWaalsContact O-CG 3.26Å; L633-K637 WeakPolarHBondContact O-CG 3.41Å; L633-K637 PolarHBondContact O-N 3.2Å; L633-L700 HydrophobicContact CD1-CD1 3.84Å; L633-L700 HydrophobicContact CD2-CD1 3.79Å; L633-L700 HydrophobicContact CG-CD1 3.54Å; L633-E704 HydrophobicContact CD2-CB 4.18Å; L633-E704 VanDerWaalsContact CD2-CD 3.47Å; L633-E704 HydrophobicContact CD2-CG 3.97Å; L633-E704 WeakPolarHBondContact CD2-OE1 3.22Å; L633-E704 WeakPolarHBondContact CD2-OE2 3.37Å |
| 634 | K | 82.5 | Confident | 76.7 | Confident | 44.6667 Ų | 44.6667 | 44.2 Ų | 44.2 | 19% | 0.194 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -43.9 | -179.3 | -72.5 | 179.7 | -177.3 | -174 | 0 | 111.7 | E582 S585 D586 V589 C630 L631 F632 F636 K637 Q638 | E582-K634 PolarHBondContact O-NZ 3.18Å; S585-K634 WeakPolarHBondContact OG-CD 3.25Å; S585-K634 WeakPolarHBondContact OG-CE 3.41Å; S585-K634 PolarHBondContact OG-NZ 3.23Å; D586-K634 WeakPolarHBondContact OD1-CD 3.44Å; D586-K634 WeakPolarHBondContact OD1-CE 3.37Å; D586-K634 IonicContact OD1-NZ 3.88Å; D586-K634 PolarHBondContact OD1-NZ 3.16Å; D586-K634 IonicContact OD2-NZ 3.07Å; D586-K634 PolarHBondContact OD2-NZ 2.84Å; V589-K634 HydrophobicContact CG2-CB 3.93Å; C630-K634 VanDerWaalsContact O-CB 3.32Å; C630-K634 WeakPolarHBondContact O-CB 3.29Å; C630-K634 VanDerWaalsContact O-CG 3.27Å; C630-K634 WeakPolarHBondContact O-CG 3.26Å; C630-K634 PolarHBondContact O-N 3.39Å; L631-K634 PolarHBondContact O-N 3.48Å; F632-K634 PolarHBondContact O-N 2.83Å; K634-F636 VanDerWaalsContact C-N 3.33Å; K634-F636 PolarHBondContact O-N 3.42Å; K634-K637 PolarHBondContact O-N 3.23Å; K634-Q638 WeakPolarHBondContact O-CG 3.34Å; K634-Q638 PolarHBondContact O-N 3.02Å |
| 635 | L | 81.4 | Confident | 76.3 | Confident | 0.333333 Ų | 0.333333 | 44.7 Ų | 44.7 | 0% | 0.002 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 174 | -71.4 | -178.3 | 0 | 0 | 0 | 111.2 | V589 I592 M593 L631 Q638 L639 M649 L652 L653 L656 | V589-L635 HydrophobicContact CB-CD2 4.24Å; V589-L635 HydrophobicContact CG1-CD2 4.13Å; V589-L635 HydrophobicContact CG2-CD2 3.89Å; V589-L635 HydrophobicContact CG2-CG 4.13Å; I592-L635 HydrophobicContact CD1-CD1 4.47Å; I592-L635 HydrophobicContact CG2-CD1 4.5Å; I592-L635 HydrophobicContact CG2-CD2 4.19Å; M593-L635 HydrophobicContact SD-CD2 4.29Å; L631-L635 HydrophobicContact CD2-CD1 3.41Å; L631-L635 VanDerWaalsContact CD2-CD1 3.44Å; L631-L635 HydrophobicContact CD2-CG 4.01Å; L631-L635 HydrophobicContact CG-CD1 4.32Å; L631-L635 VanDerWaalsContact O-CB 3.28Å; L631-L635 WeakPolarHBondContact O-CB 3.39Å; L631-L635 VanDerWaalsContact O-CG 3.25Å; L631-L635 WeakPolarHBondContact O-CG 3.32Å; L631-L635 PolarHBondContact O-N 3.23Å; L635-Q638 PolarHBondContact O-N 3.32Å; L635-L639 WeakPolarHBondContact O-CB 3.4Å; L635-L639 WeakPolarHBondContact O-CD1 3.47Å; L635-L639 VanDerWaalsContact O-CG 3.3Å; L635-L639 WeakPolarHBondContact O-CG 3.33Å; L635-L639 PolarHBondContact O-N 3.04Å; L635-M649 HydrophobicContact CB-CE 3.83Å; L635-M649 HydrophobicContact CD1-CE 4.17Å; L635-M649 HydrophobicContact CD2-CE 3.84Å; L635-M649 HydrophobicContact CG-CE 4.1Å; L635-L652 HydrophobicContact CD1-CD2 4.24Å; L635-L653 HydrophobicContact CB-CD2 3.85Å; L635-L653 HydrophobicContact CD1-CD2 4.35Å; L635-L656 HydrophobicContact CD1-CD1 4.19Å |
| 636 | F | 81.9 | Confident | 76.1 | Confident | 5.66667 Ų | 5.66667 | 44.8 Ų | 44.8 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 175.8 | -177.6 | -138.9 | 0 | 0 | 0 | 112.3 | F632 L633 K634 L639 K640 L653 E707 F708 F711 | F632-F636 WeakPolarHBondContact O-CB 3.33Å; F632-F636 PolarHBondContact O-N 2.99Å; L633-F636 PolarHBondContact O-N 3.03Å; K634-F636 VanDerWaalsContact C-N 3.33Å; K634-F636 PolarHBondContact O-N 3.42Å; F636-L639 WeakPolarHBondContact O-CB 3.37Å; F636-L639 PolarHBondContact O-N 3.3Å; F636-K640 HydrophobicContact CD2-CG 4.48Å; F636-K640 VanDerWaalsContact CE1-CE 3.41Å; F636-K640 HydrophobicContact CE2-CD 4.45Å; F636-K640 HydrophobicContact CE2-CG 4.25Å; F636-K640 HydrophobicContact CZ-CD 4.36Å; F636-K640 PolarHBondContact O-N 3.15Å; F636-L653 HydrophobicContact CB-CD1 4.35Å; F636-E707 HydrophobicContact CE1-CB 4.25Å; F636-E707 HydrophobicContact CZ-CB 4.22Å; F636-F708 HydrophobicContact CD2-CB 4.47Å; F636-F708 AromaticContact CD2-CD2 3.74Å; F636-F708 HydrophobicContact CD2-CD2 3.74Å; F636-F708 HydrophobicContact CD2-CE2 4.44Å; F636-F708 HydrophobicContact CE1-CB 4.3Å; F636-F708 HydrophobicContact CE2-CB 4.15Å; F636-F708 AromaticContact CE2-CD2 3.67Å; F636-F708 HydrophobicContact CE2-CD2 3.67Å; F636-F708 HydrophobicContact CE2-CG 4.4Å; F636-F708 HydrophobicContact CG-CD2 4.48Å; F636-F708 VanDerWaalsContact CZ-CA 3.42Å; F636-F708 HydrophobicContact CZ-CB 3.94Å; F636-F708 HydrophobicContact CZ-CD2 4.33Å; F636-F711 HydrophobicContact CE2-CB 4.01Å; F636-F711 AromaticContact CE2-CD1 3.89Å; F636-F711 HydrophobicContact CE2-CD1 4.04Å; F636-F711 AromaticContact CE2-CG 3.98Å; F636-F711 HydrophobicContact CE2-CG 4.06Å; F636-F711 HydrophobicContact CZ-CB 4.35Å |
| 637 | K | 81.9 | Confident | 75.8 | Confident | 135 Ų | 135 | 48.2 Ų | 48.2 | 59% | 0.587 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.5 | -44.6 | 174.7 | -105.3 | 176.2 | -177.7 | 175.7 | 0 | 111.9 | L633 K634 L639 K640 T641 | L633-K637 VanDerWaalsContact O-CB 3.32Å; L633-K637 WeakPolarHBondContact O-CB 3.34Å; L633-K637 VanDerWaalsContact O-CG 3.26Å; L633-K637 WeakPolarHBondContact O-CG 3.41Å; L633-K637 PolarHBondContact O-N 3.2Å; K634-K637 PolarHBondContact O-N 3.23Å; K637-L639 VanDerWaalsContact C-N 3.31Å; K637-L639 PolarHBondContact O-N 3.03Å; K637-K640 PolarHBondContact O-N 3.11Å; K637-T641 PolarHBondContact O-N 3.48Å |
| 638 | Q | 75.3 | Confident | 75.4 | Confident | 59.6667 Ų | 59.6667 | 48.6 Ų | 48.6 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.4 | -33.7 | 176.4 | -76.3 | -168.2 | -7 | 0 | 0 | 112.8 | V589 M593 K634 L635 T641 N642 | V589-Q638 VanDerWaalsContact CG1-NE2 3.31Å; M593-Q638 PolarHBondContact SD-OE1 2.68Å; K634-Q638 WeakPolarHBondContact O-CG 3.34Å; K634-Q638 PolarHBondContact O-N 3.02Å; L635-Q638 PolarHBondContact O-N 3.32Å; Q638-T641 WeakPolarHBondContact CA-OG1 3.25Å; Q638-T641 PolarHBondContact O-N 2.84Å; Q638-T641 PolarHBondContact O-OG1 3.24Å; Q638-N642 WeakPolarHBondContact O-CB 3.43Å; Q638-N642 PolarHBondContact O-N 3.13Å |
| 639 | L | 74.2 | Confident | 75.2 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 173.1 | -82.3 | 164.2 | 0 | 0 | 0 | 112.6 | L635 F636 K637 T641 M645 M649 L653 F711 | L635-L639 WeakPolarHBondContact O-CB 3.4Å; L635-L639 WeakPolarHBondContact O-CD1 3.47Å; L635-L639 VanDerWaalsContact O-CG 3.3Å; L635-L639 WeakPolarHBondContact O-CG 3.33Å; L635-L639 PolarHBondContact O-N 3.04Å; F636-L639 WeakPolarHBondContact O-CB 3.37Å; F636-L639 PolarHBondContact O-N 3.3Å; K637-L639 VanDerWaalsContact C-N 3.31Å; K637-L639 PolarHBondContact O-N 3.03Å; L639-T641 PolarHBondContact O-N 3.11Å; L639-M645 HydrophobicContact CB-CE 4.3Å; L639-M645 HydrophobicContact CD1-CE 3.7Å; L639-M645 HydrophobicContact CD2-CE 3.7Å; L639-M645 HydrophobicContact CD2-CG 3.98Å; L639-M645 HydrophobicContact CD2-SD 3.68Å; L639-M645 HydrophobicContact CG-CE 4.16Å; L639-M649 HydrophobicContact CD1-CE 3.85Å; L639-M649 HydrophobicContact CD1-CG 3.99Å; L639-M649 HydrophobicContact CD1-SD 4.23Å; L639-M649 HydrophobicContact CD2-CE 3.94Å; L639-M649 HydrophobicContact CD2-CG 3.91Å; L639-M649 HydrophobicContact CD2-SD 3.34Å; L639-M649 WeakPolarHBondContact CD2-SD 3.35Å; L639-M649 HydrophobicContact CG-CE 3.79Å; L639-M649 HydrophobicContact CG-CG 4.14Å; L639-M649 HydrophobicContact CG-SD 3.92Å; L639-L653 HydrophobicContact CD1-CD1 3.13Å; L639-L653 HydrophobicContact CD1-CG 4.24Å; L639-L653 HydrophobicContact CG-CD1 4.5Å; L639-F711 HydrophobicContact CB-CE1 4.22Å; L639-F711 HydrophobicContact CB-CZ 4.44Å |
| 640 | K | 74.6 | Confident | 75.1 | Confident | 96.6667 Ų | 96.6667 | 47.9 Ų | 47.9 | 42% | 0.42 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -30.6 | 173.5 | -73.1 | -173.9 | -177.3 | -179.1 | 0 | 111.8 | F636 K637 E707 F711 | F636-K640 HydrophobicContact CD2-CG 4.48Å; F636-K640 VanDerWaalsContact CE1-CE 3.41Å; F636-K640 HydrophobicContact CE2-CD 4.45Å; F636-K640 HydrophobicContact CE2-CG 4.25Å; F636-K640 HydrophobicContact CZ-CD 4.36Å; F636-K640 PolarHBondContact O-N 3.15Å; K637-K640 PolarHBondContact O-N 3.11Å; K640-E707 IonicContact NZ-OE2 3.15Å; K640-E707 PolarHBondContact NZ-OE2 3.09Å; K640-F711 HydrophobicContact CG-CD2 4.41Å; K640-F711 HydrophobicContact CG-CE2 4.32Å |
| 641 | T | 77.5 | Confident | 74.8 | Confident | 96 Ų | 96 | 48.9 Ų | 48.9 | 59% | 0.589 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -87.7 | -40.7 | -178.9 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | K637 Q638 L639 | K637-T641 PolarHBondContact O-N 3.48Å; Q638-T641 WeakPolarHBondContact CA-OG1 3.25Å; Q638-T641 PolarHBondContact O-N 2.84Å; Q638-T641 PolarHBondContact O-OG1 3.24Å; L639-T641 PolarHBondContact O-N 3.11Å |
| 642 | N | 65.1 | Low | 74.6 | Confident | 90.6667 Ų | 90.6667 | 48.9 Ų | 48.9 | 49% | 0.485 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -86.9 | -8.7 | -165.5 | -72.1 | -6.3 | 0 | 0 | 0 | 115.2 | Q638 S644 | Q638-N642 WeakPolarHBondContact O-CB 3.43Å; Q638-N642 PolarHBondContact O-N 3.13Å; N642-S644 PolarHBondContact O-N 2.99Å |
| 643 | Q | 59.9 | Low | 74.5 | Confident | 170.333 Ų | 170.333 | 48.9 Ų | 48.9 | 80% | 0.796 | 25% | 0.248 | S | C | * | . | trans | 55.3 | -16.2 | 178.2 | -64.6 | -170.7 | -5 | 0 | 0 | 117.9 | M645 | Q643-M645 PolarHBondContact O-N 3.36Š| ||
| 644 | S | 62.5 | Low | 74.3 | Confident | 90.6667 Ų | 90.6667 | 47.5 Ų | 47.5 | 63% | 0.634 | 24% | 0.24 | S | C | * | . | trans | -89.8 | 97.8 | 176.3 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | N642 | N642-S644 PolarHBondContact O-N 2.99Š| ||
| 645 | M | 63.6 | Low | 74 | Confident | 25.3333 Ų | 25.3333 | 50.3 Ų | 50.3 | 13% | 0.125 | 25% | 0.25 | C | C | . | . | trans | -87.8 | 124.6 | 175 | -98 | -98.3 | -169.6 | 0 | 0 | 111.4 | L639 Q643 I650 F711 Q715 V719 | L639-M645 HydrophobicContact CB-CE 4.3Å; L639-M645 HydrophobicContact CD1-CE 3.7Å; L639-M645 HydrophobicContact CD2-CE 3.7Å; L639-M645 HydrophobicContact CD2-CG 3.98Å; L639-M645 HydrophobicContact CD2-SD 3.68Å; L639-M645 HydrophobicContact CG-CE 4.16Å; Q643-M645 PolarHBondContact O-N 3.36Å; M645-I650 HydrophobicContact CE-CD1 4.14Å; M645-I650 HydrophobicContact CE-CG1 3.69Å; M645-I650 HydrophobicContact SD-CD1 3.7Å; M645-I650 VanDerWaalsContact SD-CD1 3.57Å; M645-I650 HydrophobicContact SD-CG1 3.42Å; M645-I650 WeakPolarHBondContact SD-CG1 3.36Å; M645-F711 HydrophobicContact CE-CD1 4.04Å; M645-F711 HydrophobicContact CE-CE1 3.53Å; M645-F711 VanDerWaalsContact CE-CE1 3.46Å; M645-F711 HydrophobicContact CE-CZ 4.36Å; M645-F711 HydrophobicContact CG-CE1 4.43Å; M645-F711 HydrophobicContact SD-CE1 4.04Å; M645-Q715 HydrophobicContact CE-CB 4.17Å; M645-Q715 HydrophobicContact CE-CG 4.03Å; M645-Q715 HydrophobicContact CG-CG 4.31Å; M645-Q715 HydrophobicContact SD-CB 4.46Å; M645-Q715 HydrophobicContact SD-CG 4.35Å; M645-V719 HydrophobicContact CB-CG2 4.26Å | ||
| 646 | T | 70.6 | Confident | 73.9 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 16% | 0.16 | 25% | 0.25 | C | C | . | . | trans | -103.1 | 138 | 167.5 | 61.3 | 0 | 0 | 0 | 0 | 109.1 | I596 E600 P648 M649 I650 | I596-T646 HydrophobicContact CG2-CG2 4.43Å; E600-T646 VanDerWaalsContact CD-CG2 3.43Å; E600-T646 HydrophobicContact CG-CG2 4.17Å; E600-T646 VanDerWaalsContact OE1-CG2 3.25Å; E600-T646 WeakPolarHBondContact OE1-CG2 3.35Å; E600-T646 WeakPolarHBondContact OE2-CB 3.38Å; E600-T646 WeakPolarHBondContact OE2-CG2 3.35Å; T646-P648 VanDerWaalsContact C-CD 3.43Å; T646-P648 VanDerWaalsContact C-N 3.29Å; T646-M649 WeakPolarHBondContact O-CB 3.42Å; T646-M649 PolarHBondContact O-N 3.1Å; T646-M649 WeakPolarHBondContact OG1-CB 3.47Å; T646-I650 PolarHBondContact O-N 3.34Å | ||
| 647 | K | 70.2 | Confident | 73.9 | Confident | 84 Ų | 84 | 50.1 Ų | 50.1 | 37% | 0.365 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -48.7 | -42.2 | 179 | -179.7 | 179.8 | -177.8 | 177.4 | 0 | 113.6 | M649 I650 I651 V719 N721 L725 | K647-M649 VanDerWaalsContact C-N 3.33Å; K647-M649 PolarHBondContact O-N 3.22Å; K647-I650 WeakPolarHBondContact O-CB 3.43Å; K647-I650 PolarHBondContact O-N 3.29Å; K647-I651 HydrophobicContact CG-CD1 4.16Å; K647-I651 WeakPolarHBondContact O-CG1 3.32Å; K647-I651 PolarHBondContact O-N 3.28Å; K647-I651 VanDerWaalsContact O-N 3.16Å; K647-V719 HydrophobicContact CB-CG1 4.24Å; K647-N721 WeakPolarHBondContact CE-O 3.36Å; K647-N721 PolarHBondContact NZ-O 3.08Å; K647-L725 HydrophobicContact CG-CD1 4.47Å |
| 648 | P | 69.9 | Low | 73.6 | Confident | 9.33333 Ų | 9.33333 | 43.7 Ų | 43.7 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.2 | -28.6 | 179.3 | -4 | 8.5 | 0 | 0 | 0 | 114.2 | E600 T646 I650 I651 L652 | E600-P648 HydrophobicContact CB-CG 3.71Å; E600-P648 WeakPolarHBondContact O-CB 3.38Å; E600-P648 WeakPolarHBondContact O-CG 3.22Å; T646-P648 VanDerWaalsContact C-CD 3.43Å; T646-P648 VanDerWaalsContact C-N 3.29Å; P648-I650 VanDerWaalsContact C-N 3.33Å; P648-I651 PolarHBondContact O-N 3.4Å; P648-L652 WeakPolarHBondContact O-CB 3.17Å; P648-L652 PolarHBondContact O-N 3.2Å |
| 649 | M | 76.3 | Confident | 73.5 | Confident | 5.66667 Ų | 5.66667 | 41.3 Ų | 41.3 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.5 | -37.1 | 175.1 | -170.2 | 90.3 | 172.6 | 0 | 0 | 111.4 | M593 I596 L635 L639 T646 K647 L652 L653 | M593-M649 HydrophobicContact CE-CE 4.33Å; M593-M649 HydrophobicContact SD-CE 3.95Å; M593-M649 VanDerWaalsContact SD-CE 3.55Å; M593-M649 HydrophobicContact SD-SD 4.4Å; I596-M649 HydrophobicContact CD1-CB 4.36Å; I596-M649 HydrophobicContact CD1-CE 4.43Å; I596-M649 HydrophobicContact CD1-CG 4.03Å; I596-M649 HydrophobicContact CD1-SD 3.74Å; I596-M649 WeakPolarHBondContact CD1-SD 3.06Å; L635-M649 HydrophobicContact CB-CE 3.83Å; L635-M649 HydrophobicContact CD1-CE 4.17Å; L635-M649 HydrophobicContact CD2-CE 3.84Å; L635-M649 HydrophobicContact CG-CE 4.1Å; L639-M649 HydrophobicContact CD1-CE 3.85Å; L639-M649 HydrophobicContact CD1-CG 3.99Å; L639-M649 HydrophobicContact CD1-SD 4.23Å; L639-M649 HydrophobicContact CD2-CE 3.94Å; L639-M649 HydrophobicContact CD2-CG 3.91Å; L639-M649 HydrophobicContact CD2-SD 3.34Å; L639-M649 WeakPolarHBondContact CD2-SD 3.35Å; L639-M649 HydrophobicContact CG-CE 3.79Å; L639-M649 HydrophobicContact CG-CG 4.14Å; L639-M649 HydrophobicContact CG-SD 3.92Å; T646-M649 WeakPolarHBondContact O-CB 3.42Å; T646-M649 PolarHBondContact O-N 3.1Å; T646-M649 WeakPolarHBondContact OG1-CB 3.47Å; K647-M649 VanDerWaalsContact C-N 3.33Å; K647-M649 PolarHBondContact O-N 3.22Å; M649-L652 PolarHBondContact O-N 3.07Å; M649-L652 HydrophobicContact SD-CD2 4.35Å; M649-L653 PolarHBondContact O-N 3.28Å; M649-L653 VanDerWaalsContact O-N 3.11Å |
| 650 | I | 77.2 | Confident | 73.6 | Confident | 2.66667 Ų | 2.66667 | 40.8 Ų | 40.8 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 172.1 | -57.4 | 174.6 | 0 | 0 | 0 | 110.2 | M645 T646 K647 P648 L652 L653 C654 F708 I712 V722 L725 | M645-I650 HydrophobicContact CE-CD1 4.14Å; M645-I650 HydrophobicContact CE-CG1 3.69Å; M645-I650 HydrophobicContact SD-CD1 3.7Å; M645-I650 VanDerWaalsContact SD-CD1 3.57Å; M645-I650 HydrophobicContact SD-CG1 3.42Å; M645-I650 WeakPolarHBondContact SD-CG1 3.36Å; T646-I650 PolarHBondContact O-N 3.34Å; K647-I650 WeakPolarHBondContact O-CB 3.43Å; K647-I650 PolarHBondContact O-N 3.29Å; P648-I650 VanDerWaalsContact C-N 3.33Å; I650-L652 VanDerWaalsContact C-N 3.27Å; I650-L652 PolarHBondContact O-N 3.24Å; I650-L653 PolarHBondContact O-N 3.23Å; I650-C654 WeakPolarHBondContact O-CB 3.43Å; I650-C654 PolarHBondContact O-N 3.1Å; I650-C654 PolarHBondContact O-SG 3.32Å; I650-C654 VanDerWaalsContact O-SG 3.35Å; I650-F708 HydrophobicContact CG2-CZ 4.47Å; I650-I712 HydrophobicContact CG2-CD1 4.34Å; I650-I712 HydrophobicContact CG2-CG1 4.29Å; I650-I712 HydrophobicContact CG2-CG2 4.2Å; I650-V722 HydrophobicContact CD1-CG1 4.13Å; I650-V722 HydrophobicContact CD1-CG2 4.17Å; I650-V722 HydrophobicContact CG2-CG1 4.38Å; I650-L725 HydrophobicContact CB-CD2 4.29Å; I650-L725 HydrophobicContact CG2-CD2 3.55Å |
| 651 | I | 76.2 | Confident | 73.7 | Confident | 41.6667 Ų | 41.6667 | 36.3 Ų | 36.3 | 21% | 0.214 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.9 | -41.3 | 178.7 | -65.2 | 169 | 0 | 0 | 0 | 110.8 | K647 P648 C654 R655 L725 | K647-I651 HydrophobicContact CG-CD1 4.16Å; K647-I651 WeakPolarHBondContact O-CG1 3.32Å; K647-I651 PolarHBondContact O-N 3.28Å; K647-I651 VanDerWaalsContact O-N 3.16Å; P648-I651 PolarHBondContact O-N 3.4Å; I651-C654 PolarHBondContact O-N 3.39Å; I651-R655 WeakPolarHBondContact O-CG 3.4Å; I651-R655 PolarHBondContact O-N 2.99Å; I651-L725 HydrophobicContact CD1-CD1 4.06Å; I651-L725 HydrophobicContact CG1-CD1 3.81Å; I651-L725 VanDerWaalsContact CG1-CD1 3.47Å; I651-L725 HydrophobicContact CG1-CD2 3.97Å; I651-L725 HydrophobicContact CG1-CG 4.35Å |
| 652 | L | 78.3 | Confident | 73.5 | Confident | 0.333333 Ų | 0.333333 | 31.9 Ų | 31.9 | 0% | 0.002 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 177.7 | 177.4 | 61.3 | 0 | 0 | 0 | 111.5 | I592 I603 T604 L607 L611 L635 P648 M649 I650 C654 R655 L656 | I592-L652 HydrophobicContact CG2-CD2 4.3Å; I603-L652 HydrophobicContact CG1-CD2 4.39Å; I603-L652 HydrophobicContact CG2-CD2 4.41Å; T604-L652 HydrophobicContact CG2-CD1 4.46Å; L607-L652 HydrophobicContact CD1-CD1 3.48Å; L607-L652 VanDerWaalsContact CD1-CD1 3.47Å; L607-L652 HydrophobicContact CD1-CD2 3.77Å; L607-L652 HydrophobicContact CD1-CG 4.28Å; L611-L652 HydrophobicContact CD1-CD1 4.22Å; L635-L652 HydrophobicContact CD1-CD2 4.24Å; P648-L652 WeakPolarHBondContact O-CB 3.17Å; P648-L652 PolarHBondContact O-N 3.2Å; M649-L652 PolarHBondContact O-N 3.07Å; M649-L652 HydrophobicContact SD-CD2 4.35Å; I650-L652 VanDerWaalsContact C-N 3.27Å; I650-L652 PolarHBondContact O-N 3.24Å; L652-C654 VanDerWaalsContact C-N 3.34Å; L652-C654 PolarHBondContact O-N 3.46Å; L652-R655 PolarHBondContact O-N 2.99Å; L652-L656 HydrophobicContact CD1-CD1 4.21Å; L652-L656 HydrophobicContact CD1-CG 4.35Å; L652-L656 HydrophobicContact CG-CD1 4.02Å; L652-L656 WeakPolarHBondContact O-CB 3.39Å; L652-L656 WeakPolarHBondContact O-CG 3.36Å; L652-L656 PolarHBondContact O-N 3.2Å |
| 653 | L | 82.2 | Confident | 73.6 | Confident | 0.333333 Ų | 0.333333 | 28.7 Ų | 28.7 | 0% | 0.002 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 177.6 | -76.5 | -177.8 | 0 | 0 | 0 | 112.9 | F632 L635 F636 L639 M649 I650 R655 L656 S657 F708 | F632-L653 HydrophobicContact CD2-CB 4.49Å; F632-L653 HydrophobicContact CD2-CD2 3.63Å; F632-L653 HydrophobicContact CE2-CB 4.27Å; F632-L653 HydrophobicContact CE2-CD2 4.03Å; F632-L653 HydrophobicContact CG-CD2 4.44Å; L635-L653 HydrophobicContact CB-CD2 3.85Å; L635-L653 HydrophobicContact CD1-CD2 4.35Å; F636-L653 HydrophobicContact CB-CD1 4.35Å; L639-L653 HydrophobicContact CD1-CD1 3.13Å; L639-L653 HydrophobicContact CD1-CG 4.24Å; L639-L653 HydrophobicContact CG-CD1 4.5Å; M649-L653 PolarHBondContact O-N 3.28Å; M649-L653 VanDerWaalsContact O-N 3.11Å; I650-L653 PolarHBondContact O-N 3.23Å; L653-R655 VanDerWaalsContact C-N 3.34Å; L653-R655 PolarHBondContact O-N 3.19Å; L653-L656 HydrophobicContact CD2-CD1 4.32Å; L653-L656 PolarHBondContact O-N 3.42Å; L653-S657 VanDerWaalsContact O-CB 3.28Å; L653-S657 WeakPolarHBondContact O-CB 3.34Å; L653-S657 PolarHBondContact O-N 3.12Å; L653-S657 PolarHBondContact O-OG 3.39Å; L653-S657 VanDerWaalsContact O-OG 3.12Å; L653-F708 HydrophobicContact CB-CE1 4.13Å; L653-F708 HydrophobicContact CB-CE2 3.89Å; L653-F708 HydrophobicContact CB-CZ 3.41Å; L653-F708 VanDerWaalsContact CB-CZ 3.43Å; L653-F708 HydrophobicContact CD1-CD2 4.16Å; L653-F708 HydrophobicContact CD1-CE2 3.53Å; L653-F708 HydrophobicContact CD1-CZ 3.96Å; L653-F708 HydrophobicContact CG-CE2 4.38Å; L653-F708 HydrophobicContact CG-CZ 4.36Å |
| 654 | C | 80.1 | Confident | 74.1 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 173.1 | -71 | 0 | 0 | 0 | 0 | 111 | I650 I651 L652 L656 S657 A658 L673 Y674 F729 | I650-C654 WeakPolarHBondContact O-CB 3.43Å; I650-C654 PolarHBondContact O-N 3.1Å; I650-C654 PolarHBondContact O-SG 3.32Å; I650-C654 VanDerWaalsContact O-SG 3.35Å; I651-C654 PolarHBondContact O-N 3.39Å; L652-C654 VanDerWaalsContact C-N 3.34Å; L652-C654 PolarHBondContact O-N 3.46Å; C654-L656 PolarHBondContact O-N 3.05Å; C654-S657 WeakPolarHBondContact CA-OG 3.31Å; C654-S657 PolarHBondContact O-N 3.23Å; C654-S657 PolarHBondContact O-OG 3.35Å; C654-A658 WeakPolarHBondContact O-CB 3.32Å; C654-A658 PolarHBondContact O-N 2.96Å; C654-L673 HydrophobicContact CB-CD1 3.89Å; C654-L673 HydrophobicContact CB-CD2 3.91Å; C654-L673 WeakPolarHBondContact O-CD2 3.08Å; C654-Y674 HydrophobicContact CB-CD1 4.27Å; C654-Y674 HydrophobicContact CB-CE1 3.86Å; C654-F729 HydrophobicContact CB-CD2 4.21Å |
| 655 | R | 76.4 | Confident | 74.2 | Confident | 103.667 Ų | 103.667 | 19.4 Ų | 19.4 | 39% | 0.391 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 176.5 | -73.7 | -177.9 | 175.6 | -178.7 | 1.9 | 113 | T604 L611 I651 L652 L653 A658 S659 L673 Y674 | T604-R655 VanDerWaalsContact CB-NH1 3.34Å; T604-R655 PolarHBondContact OG1-NH1 3.26Å; L611-R655 HydrophobicContact CD1-CB 4.41Å; L611-R655 HydrophobicContact CD2-CB 3.96Å; I651-R655 WeakPolarHBondContact O-CG 3.4Å; I651-R655 PolarHBondContact O-N 2.99Å; L652-R655 PolarHBondContact O-N 2.99Å; L653-R655 VanDerWaalsContact C-N 3.34Å; L653-R655 PolarHBondContact O-N 3.19Å; R655-A658 PolarHBondContact O-N 3.19Å; R655-S659 PolarHBondContact O-N 3.18Å; R655-L673 HydrophobicContact CG-CD1 4.22Å; R655-Y674 HydrophobicContact CB-CD1 4.48Å; R655-Y674 HydrophobicContact CG-CD1 3.9Å; R655-Y674 HydrophobicContact CG-CE1 4.31Å |
| 656 | L | 78.9 | Confident | 74.2 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 175.3 | -78.1 | 167.7 | 0 | 0 | 0 | 111.1 | L610 L611 L631 F632 L635 L652 L653 C654 A658 S659 I660 | L610-L656 HydrophobicContact CD2-CD2 3.38Å; L611-L656 HydrophobicContact CD2-CD2 3.84Å; L611-L656 HydrophobicContact CD2-CG 3.99Å; L631-L656 HydrophobicContact CD2-CD1 3.6Å; L631-L656 VanDerWaalsContact CD2-CD1 3.41Å; L631-L656 HydrophobicContact CD2-CD2 4.11Å; L631-L656 HydrophobicContact CD2-CG 4.44Å; F632-L656 HydrophobicContact CD2-CB 4.38Å; L635-L656 HydrophobicContact CD1-CD1 4.19Å; L652-L656 HydrophobicContact CD1-CD1 4.21Å; L652-L656 HydrophobicContact CD1-CG 4.35Å; L652-L656 HydrophobicContact CG-CD1 4.02Å; L652-L656 WeakPolarHBondContact O-CB 3.39Å; L652-L656 WeakPolarHBondContact O-CG 3.36Å; L652-L656 PolarHBondContact O-N 3.2Å; L653-L656 HydrophobicContact CD2-CD1 4.32Å; L653-L656 PolarHBondContact O-N 3.42Å; C654-L656 PolarHBondContact O-N 3.05Å; L656-A658 VanDerWaalsContact C-N 3.31Å; L656-A658 PolarHBondContact O-N 2.93Å; L656-S659 WeakPolarHBondContact O-CB 3.4Å; L656-S659 PolarHBondContact O-N 2.98Å; L656-S659 VanDerWaalsContact O-N 3.13Å; L656-I660 WeakPolarHBondContact O-CD1 3.22Å; L656-I660 VanDerWaalsContact O-CG1 3.29Å; L656-I660 WeakPolarHBondContact O-CG1 3.26Å; L656-I660 PolarHBondContact O-N 3.07Å |
| 657 | S | 80.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 178.3 | 67.6 | 0 | 0 | 0 | 0 | 112.2 | L653 C654 S659 I660 L661 Y705 F729 | L653-S657 VanDerWaalsContact O-CB 3.28Å; L653-S657 WeakPolarHBondContact O-CB 3.34Å; L653-S657 PolarHBondContact O-N 3.12Å; L653-S657 PolarHBondContact O-OG 3.39Å; L653-S657 VanDerWaalsContact O-OG 3.12Å; C654-S657 WeakPolarHBondContact CA-OG 3.31Å; C654-S657 PolarHBondContact O-N 3.23Å; C654-S657 PolarHBondContact O-OG 3.35Å; S657-S659 VanDerWaalsContact C-N 3.34Å; S657-S659 PolarHBondContact O-N 3.3Å; S657-I660 PolarHBondContact O-N 3.05Å; S657-L661 WeakPolarHBondContact O-CB 3.25Å; S657-L661 WeakPolarHBondContact O-CG 3.33Å; S657-L661 PolarHBondContact O-N 2.72Å; S657-Y705 VanDerWaalsContact CB-CE1 3.47Å; S657-F729 WeakPolarHBondContact OG-CE2 3.34Å; S657-F729 VanDerWaalsContact OG-CZ 3.26Å; S657-F729 WeakPolarHBondContact OG-CZ 3.3Å |
| 658 | A | 75.7 | Confident | 73.1 | Confident | 0.666667 Ų | 0.666667 | 24.5 Ų | 24.5 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C654 R655 L656 I660 L661 C662 L673 Y674 Y732 | C654-A658 WeakPolarHBondContact O-CB 3.32Å; C654-A658 PolarHBondContact O-N 2.96Å; R655-A658 PolarHBondContact O-N 3.19Å; L656-A658 VanDerWaalsContact C-N 3.31Å; L656-A658 PolarHBondContact O-N 2.93Å; A658-I660 VanDerWaalsContact C-N 3.28Å; A658-I660 PolarHBondContact O-N 3.22Å; A658-L661 PolarHBondContact O-N 3.06Å; A658-C662 VanDerWaalsContact O-CB 3.28Å; A658-C662 WeakPolarHBondContact O-CB 3.31Å; A658-C662 PolarHBondContact O-N 3.11Å; A658-C662 VanDerWaalsContact O-N 3.15Å; A658-C662 PolarHBondContact O-SG 2.79Å; A658-C662 VanDerWaalsContact O-SG 3.32Å; A658-L673 HydrophobicContact CB-CD2 3.95Å; A658-L673 HydrophobicContact CB-CG 3.99Å; A658-Y674 VanDerWaalsContact CB-CB 3.44Å; A658-Y674 HydrophobicContact CB-CG 4.2Å; A658-Y732 VanDerWaalsContact CA-CZ 3.49Å; A658-Y732 VanDerWaalsContact CA-OH 3.29Å; A658-Y732 WeakPolarHBondContact CA-OH 3.26Å; A658-Y732 HydrophobicContact CB-CD1 4.34Å; A658-Y732 HydrophobicContact CB-CE1 3.82Å; A658-Y732 HydrophobicContact CB-CE2 4.25Å; A658-Y732 PolarHBondContact O-OH 3.23Å |
| 659 | S | 74.5 | Confident | 72.3 | Confident | 8.66667 Ų | 8.66667 | 27.7 Ų | 27.7 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 174.3 | -176 | 0 | 0 | 0 | 0 | 111.8 | K628 R655 L656 S657 S663 | K628-S659 PolarHBondContact NZ-OG 3.32Å; R655-S659 PolarHBondContact O-N 3.18Å; L656-S659 WeakPolarHBondContact O-CB 3.4Å; L656-S659 PolarHBondContact O-N 2.98Å; L656-S659 VanDerWaalsContact O-N 3.13Å; S657-S659 VanDerWaalsContact C-N 3.34Å; S657-S659 PolarHBondContact O-N 3.3Å; S659-S663 WeakPolarHBondContact O-CB 3.4Å; S659-S663 PolarHBondContact O-N 3.33Å; S659-S663 VanDerWaalsContact O-N 3.13Å; S659-S663 PolarHBondContact O-OG 3.12Å; S659-S663 VanDerWaalsContact O-OG 3.11Å |
| 660 | I | 75.6 | Confident | 71.1 | Confident | 0.666667 Ų | 0.666667 | 33.1 Ų | 33.1 | 0% | 0.003 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.4 | -49.3 | 179.1 | -59.8 | 159.9 | 0 | 0 | 0 | 110.6 | K628 Q629 F632 L656 S657 A658 C662 S663 V664 L700 Y705 | K628-I660 HydrophobicContact CB-CD1 4.14Å; K628-I660 HydrophobicContact CB-CG1 3.8Å; Q629-I660 HydrophobicContact CG-CD1 4.33Å; Q629-I660 HydrophobicContact CG-CG1 4.47Å; Q629-I660 HydrophobicContact CG-CG2 3.98Å; F632-I660 HydrophobicContact CB-CD1 3.94Å; F632-I660 HydrophobicContact CG-CD1 4.38Å; L656-I660 WeakPolarHBondContact O-CD1 3.22Å; L656-I660 VanDerWaalsContact O-CG1 3.29Å; L656-I660 WeakPolarHBondContact O-CG1 3.26Å; L656-I660 PolarHBondContact O-N 3.07Å; S657-I660 PolarHBondContact O-N 3.05Å; A658-I660 VanDerWaalsContact C-N 3.28Å; A658-I660 PolarHBondContact O-N 3.22Å; I660-C662 PolarHBondContact O-N 3.02Å; I660-S663 PolarHBondContact O-N 3.33Å; I660-S663 VanDerWaalsContact O-N 3.16Å; I660-S663 PolarHBondContact O-OG 2.95Å; I660-V664 HydrophobicContact CG2-CG2 4.31Å; I660-V664 WeakPolarHBondContact O-CB 3.27Å; I660-V664 VanDerWaalsContact O-CG2 3.26Å; I660-V664 WeakPolarHBondContact O-CG2 3.3Å; I660-V664 PolarHBondContact O-N 3.08Å; I660-L700 HydrophobicContact CG2-CD1 4.23Å; I660-L700 HydrophobicContact CG2-CD2 4.19Å; I660-Y705 WeakPolarHBondContact CB-OH 3.4Å; I660-Y705 WeakPolarHBondContact CD1-OH 3.49Å; I660-Y705 VanDerWaalsContact CG2-OH 3.26Å; I660-Y705 WeakPolarHBondContact CG2-OH 3.45Å |
| 661 | L | 75.8 | Confident | 69.8 | Low | 1.66667 Ų | 1.66667 | 36.5 Ų | 36.5 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | -176.9 | -97.9 | 148.1 | 0 | 0 | 0 | 112.5 | S657 A658 S663 V664 N665 L700 L702 Y705 Y732 L733 H736 I737 | S657-L661 WeakPolarHBondContact O-CB 3.25Å; S657-L661 WeakPolarHBondContact O-CG 3.33Å; S657-L661 PolarHBondContact O-N 2.72Å; A658-L661 PolarHBondContact O-N 3.06Å; L661-S663 VanDerWaalsContact C-N 3.35Å; L661-S663 PolarHBondContact O-N 3.04Å; L661-V664 PolarHBondContact O-N 2.82Å; L661-N665 VanDerWaalsContact O-CB 3.26Å; L661-N665 WeakPolarHBondContact O-CB 3.4Å; L661-N665 PolarHBondContact O-N 3.09Å; L661-N665 VanDerWaalsContact O-N 3.09Å; L661-N665 PolarHBondContact O-ND2 3.4Å; L661-N665 VanDerWaalsContact O-ND2 3.08Å; L661-L700 HydrophobicContact CD2-CD2 4.39Å; L661-L702 HydrophobicContact CD1-CD2 4.21Å; L661-L702 HydrophobicContact CD2-CD2 3.29Å; L661-L702 HydrophobicContact CG-CD2 4.39Å; L661-Y705 HydrophobicContact CB-CE1 4.38Å; L661-Y705 HydrophobicContact CD1-CD1 4.1Å; L661-Y705 HydrophobicContact CD1-CD2 4.2Å; L661-Y705 HydrophobicContact CD1-CE1 4.05Å; L661-Y705 HydrophobicContact CD1-CE2 4.03Å; L661-Y705 HydrophobicContact CD1-CG 4.22Å; L661-Y705 HydrophobicContact CD2-CD2 4.3Å; L661-Y705 HydrophobicContact CD2-CE2 4.01Å; L661-Y705 HydrophobicContact CG-CD2 4.39Å; L661-Y705 HydrophobicContact CG-CE1 4.35Å; L661-Y705 HydrophobicContact CG-CE2 3.99Å; L661-Y732 HydrophobicContact CB-CE1 4.13Å; L661-Y732 VanDerWaalsContact CB-OH 3.29Å; L661-Y732 WeakPolarHBondContact CB-OH 2.95Å; L661-Y732 HydrophobicContact CD1-CE1 3.86Å; L661-Y732 HydrophobicContact CD2-CE1 3.87Å; L661-L733 HydrophobicContact CD1-CD2 3.47Å; L661-L733 VanDerWaalsContact CD1-CD2 3.47Å; L661-L733 HydrophobicContact CD2-CD2 4.4Å; L661-H736 HydrophobicContact CD2-CB 3.85Å; L661-I737 HydrophobicContact CD1-CG1 4.16Å; L661-I737 HydrophobicContact CD2-CG1 3.94Å |
| 662 | C | 73.6 | Confident | 69 | Low | 4.33333 Ų | 4.33333 | 36.3 Ų | 36.3 | 3% | 0.029 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 174.9 | -81.1 | 0 | 0 | 0 | 0 | 112.4 | A658 I660 N666 C667 P671 Y732 | A658-C662 VanDerWaalsContact O-CB 3.28Å; A658-C662 WeakPolarHBondContact O-CB 3.31Å; A658-C662 PolarHBondContact O-N 3.11Å; A658-C662 VanDerWaalsContact O-N 3.15Å; A658-C662 PolarHBondContact O-SG 2.79Å; A658-C662 VanDerWaalsContact O-SG 3.32Å; I660-C662 PolarHBondContact O-N 3.02Å; C662-N666 PolarHBondContact O-N 3.14Å; C662-N666 VanDerWaalsContact O-N 3.15Å; C662-C667 HydrophobicContact CB-CB 4.17Å; C662-C667 PolarHBondContact O-N 3.37Å; C662-C667 PolarHBondContact O-SG 3.23Å; C662-P671 HydrophobicContact CB-CB 4.16Å; C662-Y732 PolarHBondContact N-OH 3.07Å; C662-Y732 VanDerWaalsContact N-OH 3.15Å; C662-Y732 PolarHBondContact SG-OH 3.35Å |
| 663 | S | 68.1 | Low | 68 | Low | 24 Ų | 24 | 41.1 Ų | 41.1 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.8 | -40.8 | 179.9 | 60.7 | 0 | 0 | 0 | 0 | 112.2 | L625 S659 I660 L661 N665 N666 | L625-S663 WeakPolarHBondContact CD1-OG 3.34Å; S659-S663 WeakPolarHBondContact O-CB 3.4Å; S659-S663 PolarHBondContact O-N 3.33Å; S659-S663 VanDerWaalsContact O-N 3.13Å; S659-S663 PolarHBondContact O-OG 3.12Å; S659-S663 VanDerWaalsContact O-OG 3.11Å; I660-S663 PolarHBondContact O-N 3.33Å; I660-S663 VanDerWaalsContact O-N 3.16Å; I660-S663 PolarHBondContact O-OG 2.95Å; L661-S663 VanDerWaalsContact C-N 3.35Å; L661-S663 PolarHBondContact O-N 3.04Å; S663-N665 VanDerWaalsContact C-N 3.28Å; S663-N665 PolarHBondContact O-N 3.1Å; S663-N666 PolarHBondContact O-N 2.77Å; S663-N666 PolarHBondContact O-OD1 2.9Å |
| 664 | V | 69.8 | Low | 67 | Low | 57.6667 Ų | 57.6667 | 44.3 Ų | 44.3 | 35% | 0.349 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68 | -39.8 | 177.5 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | L625 I660 L661 N666 L700 F741 | L625-V664 HydrophobicContact CD1-CG2 4.24Å; L625-V664 HydrophobicContact CD2-CG2 4.06Å; I660-V664 HydrophobicContact CG2-CG2 4.31Å; I660-V664 WeakPolarHBondContact O-CB 3.27Å; I660-V664 VanDerWaalsContact O-CG2 3.26Å; I660-V664 WeakPolarHBondContact O-CG2 3.3Å; I660-V664 PolarHBondContact O-N 3.08Å; L661-V664 PolarHBondContact O-N 2.82Å; V664-N666 VanDerWaalsContact C-N 3.27Å; V664-N666 PolarHBondContact O-N 3.21Å; V664-L700 HydrophobicContact CG2-CD2 4.5Å; V664-F741 HydrophobicContact CG1-CE1 3.97Å; V664-F741 HydrophobicContact CG1-CE2 4.09Å; V664-F741 HydrophobicContact CG1-CZ 3.69Å; V664-F741 VanDerWaalsContact CG1-CZ 3.43Å |
| 665 | N | 65.6 | Low | 66.2 | Low | 8.66667 Ų | 8.66667 | 44.6 Ų | 44.6 | 5% | 0.046 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -89.5 | -2.9 | -174.1 | -73.2 | -43.5 | 0 | 0 | 0 | 115.2 | L661 S663 H736 R738 F741 | L661-N665 VanDerWaalsContact O-CB 3.26Å; L661-N665 WeakPolarHBondContact O-CB 3.4Å; L661-N665 PolarHBondContact O-N 3.09Å; L661-N665 VanDerWaalsContact O-N 3.09Å; L661-N665 PolarHBondContact O-ND2 3.4Å; L661-N665 VanDerWaalsContact O-ND2 3.08Å; S663-N665 VanDerWaalsContact C-N 3.28Å; S663-N665 PolarHBondContact O-N 3.1Å; N665-H736 WeakPolarHBondContact ND2-CB 3.39Å; N665-H736 PolarHBondContact ND2-ND1 3.03Å; N665-H736 PolarHBondContact ND2-O 3.38Å; N665-R738 HydrophobicContact CB-CG 4.47Å; N665-R738 PolarHBondContact O-NH1 2.92Å; N665-R738 PolarHBondContact O-NH2 2.95Å; N665-R738 VanDerWaalsContact OD1-CD 3.27Å; N665-R738 WeakPolarHBondContact OD1-CD 3.38Å; N665-R738 WeakPolarHBondContact OD1-CG 3.16Å; N665-R738 PolarHBondContact OD1-NE 2.91Å; N665-R738 PolarHBondContact OD1-NH1 3.09Å; N665-R738 VanDerWaalsContact OD1-NH1 3.11Å; N665-F741 WeakPolarHBondContact OD1-CE2 3.41Å |
| 666 | N | 63 | Low | 65.2 | Low | 121.333 Ų | 121.333 | 43.5 Ų | 43.5 | 65% | 0.649 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 60.8 | -173.5 | -75.5 | -29.3 | 0 | 0 | 0 | 112 | C662 S663 V664 P668 | C662-N666 PolarHBondContact O-N 3.14Å; C662-N666 VanDerWaalsContact O-N 3.15Å; S663-N666 PolarHBondContact O-N 2.77Å; S663-N666 PolarHBondContact O-OD1 2.9Å; V664-N666 VanDerWaalsContact C-N 3.27Å; V664-N666 PolarHBondContact O-N 3.21Å; N666-P668 WeakPolarHBondContact O-CD 3.45Å; N666-P668 VanDerWaalsContact O-N 3.16Å |
| 667 | C | 61.8 | Low | 63.9 | Low | 26 Ų | 26 | 46.3 Ų | 46.3 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -58.3 | 128.3 | -173.5 | -94.5 | 0 | 0 | 0 | 0 | 112.3 | C662 T669 H736 | C662-C667 HydrophobicContact CB-CB 4.17Å; C662-C667 PolarHBondContact O-N 3.37Å; C662-C667 PolarHBondContact O-SG 3.23Å; C667-T669 VanDerWaalsContact C-N 3.31Å; C667-T669 PolarHBondContact O-N 3.41Å; C667-T669 PolarHBondContact SG-OG1 2.9Å; C667-H736 PolarHBondContact SG-CE1 3.07Å; C667-H736 VanDerWaalsContact SG-CE1 3.58Å; C667-H736 PolarHBondContact SG-ND1 3.48Å | ||
| 668 | P | 55.3 | Low | 62.1 | Low | 94 Ų | 94 | 48.9 Ų | 48.9 | 61% | 0.61 | 28% | 0.284 | S | S | * | . | trans | -80.3 | -16 | -178.3 | 29.7 | -33 | 0 | 0 | 0 | 113.7 | N666 | N666-P668 WeakPolarHBondContact O-CD 3.45Å; N666-P668 VanDerWaalsContact O-N 3.16Å | ||
| 669 | T | 53.2 | Low | 60.6 | Low | 76.3333 Ų | 76.3333 | 55 Ų | 55 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -99.5 | 161.3 | -167.4 | 43.6 | 0 | 0 | 0 | 0 | 113.6 | C667 H736 | C667-T669 VanDerWaalsContact C-N 3.31Å; C667-T669 PolarHBondContact O-N 3.41Å; C667-T669 PolarHBondContact SG-OG1 2.9Å; T669-H736 PolarHBondContact OG1-CE1 3.49Å |
| 670 | D | 50.5 | Low | 58.8 | Low | 119 Ų | 119 | 61.7 Ų | 61.7 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 147.5 | 176.5 | -66.3 | -39.2 | 0 | 0 | 0 | 112.3 | K613 S672 | K613-D670 WeakPolarHBondContact CD-OD1 3.1Å; K613-D670 WeakPolarHBondContact CE-OD1 3.4Å; K613-D670 IonicContact NZ-OD1 3.9Å; K613-D670 PolarHBondContact NZ-OD1 3.48Å; D670-S672 PolarHBondContact O-N 3.12Å; D670-S672 VanDerWaalsContact O-N 3.15Å; D670-S672 PolarHBondContact O-OG 2.66Å |
| 671 | P | 50.5 | Low | 57 | Low | 73.6667 Ų | 73.6667 | 66.1 Ų | 66.1 | 48% | 0.478 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 119.3 | -177.4 | 24.2 | -33.3 | 0 | 0 | 0 | 110.5 | C662 C675 | C662-P671 HydrophobicContact CB-CB 4.16Å; P671-C675 WeakPolarHBondContact CA-O 3.13Å; P671-C675 HydrophobicContact CB-CB 4.45Å; P671-C675 VanDerWaalsContact CB-O 3.26Å; P671-C675 WeakPolarHBondContact CB-O 3.33Å |
| 672 | S | 58.6 | Low | 54.8 | Low | 39.3333 Ų | 39.3333 | 76.3 Ų | 76.3 | 28% | 0.275 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -100.1 | 159.6 | 167.6 | 65.4 | 0 | 0 | 0 | 0 | 109.4 | D670 Y674 C675 Y732 | D670-S672 PolarHBondContact O-N 3.12Å; D670-S672 VanDerWaalsContact O-N 3.15Å; D670-S672 PolarHBondContact O-OG 2.66Å; S672-Y674 PolarHBondContact O-N 3.07Å; S672-Y674 VanDerWaalsContact O-N 3.12Å; S672-Y674 PolarHBondContact OG-N 3.4Å; S672-C675 PolarHBondContact N-O 2.89Å; S672-C675 CarbonylContact O-C 3.49Å; S672-C675 VanDerWaalsContact O-CB 3.31Å; S672-C675 WeakPolarHBondContact O-CB 3.42Å; S672-C675 PolarHBondContact O-N 3.04Å; S672-C675 VanDerWaalsContact O-N 3.08Å; S672-C675 VanDerWaalsContact OG-CB 3.24Å; S672-C675 WeakPolarHBondContact OG-CB 3.35Å; S672-C675 PolarHBondContact OG-N 3.12Å; S672-C675 VanDerWaalsContact OG-N 3.13Å; S672-Y732 VanDerWaalsContact O-CE2 3.24Å; S672-Y732 WeakPolarHBondContact O-CE2 3.48Å; S672-Y732 VanDerWaalsContact OG-CD2 3.27Å; S672-Y732 WeakPolarHBondContact OG-CD2 3.47Å |
| 673 | L | 58.6 | Low | 52.6 | Low | 100 Ų | 100 | 83.5 Ų | 83.5 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -18.5 | 171.7 | -85.4 | 162.5 | 0 | 0 | 0 | 113.2 | C654 R655 A658 L725 D728 F729 Y732 | C654-L673 HydrophobicContact CB-CD1 3.89Å; C654-L673 HydrophobicContact CB-CD2 3.91Å; C654-L673 WeakPolarHBondContact O-CD2 3.08Å; R655-L673 HydrophobicContact CG-CD1 4.22Å; A658-L673 HydrophobicContact CB-CD2 3.95Å; A658-L673 HydrophobicContact CB-CG 3.99Å; L673-L725 HydrophobicContact CD1-CD1 4.41Å; L673-D728 WeakPolarHBondContact CD1-OD2 3.37Å; L673-F729 HydrophobicContact CD2-CD2 3.93Å; L673-Y732 HydrophobicContact CD2-CD1 4.49Å; L673-Y732 WeakPolarHBondContact O-CB 3.44Å |
| 674 | Y | 61.3 | Low | 50.6 | Low | 68.6667 Ų | 68.6667 | 89.4 Ų | 89.4 | 27% | 0.269 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -2.8 | 179.5 | -52.2 | -74.4 | 0 | 0 | 0 | 113.7 | C654 R655 A658 S672 T676 L725 D728 Y732 | C654-Y674 HydrophobicContact CB-CD1 4.27Å; C654-Y674 HydrophobicContact CB-CE1 3.86Å; R655-Y674 HydrophobicContact CB-CD1 4.48Å; R655-Y674 HydrophobicContact CG-CD1 3.9Å; R655-Y674 HydrophobicContact CG-CE1 4.31Å; A658-Y674 VanDerWaalsContact CB-CB 3.44Å; A658-Y674 HydrophobicContact CB-CG 4.2Å; S672-Y674 PolarHBondContact O-N 3.07Å; S672-Y674 VanDerWaalsContact O-N 3.12Å; S672-Y674 PolarHBondContact OG-N 3.4Å; Y674-T676 PolarHBondContact O-N 3Å; Y674-L725 WeakPolarHBondContact OH-CD2 3.3Å; Y674-D728 HydrophobicContact CE1-CB 4.24Å; Y674-D728 HydrophobicContact CE2-CB 3.93Å; Y674-D728 PolarHBondContact OH-OD2 3.33Å; Y674-Y732 HydrophobicContact CD2-CD2 4.43Å; Y674-Y732 HydrophobicContact CD2-CG 4.42Å |
| 675 | C | 63.1 | Low | 48.6 | Very low | 6 Ų | 6 | 94.4 Ų | 94.4 | 4% | 0.041 | 49% | 0.485 | C | S | . | . | trans | -90.1 | 100.4 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | P671 S672 H677 Y732 S735 | P671-C675 WeakPolarHBondContact CA-O 3.13Å; P671-C675 HydrophobicContact CB-CB 4.45Å; P671-C675 VanDerWaalsContact CB-O 3.26Å; P671-C675 WeakPolarHBondContact CB-O 3.33Å; S672-C675 PolarHBondContact N-O 2.89Å; S672-C675 CarbonylContact O-C 3.49Å; S672-C675 VanDerWaalsContact O-CB 3.31Å; S672-C675 WeakPolarHBondContact O-CB 3.42Å; S672-C675 PolarHBondContact O-N 3.04Å; S672-C675 VanDerWaalsContact O-N 3.08Å; S672-C675 VanDerWaalsContact OG-CB 3.24Å; S672-C675 WeakPolarHBondContact OG-CB 3.35Å; S672-C675 PolarHBondContact OG-N 3.12Å; S672-C675 VanDerWaalsContact OG-N 3.13Å; C675-H677 VanDerWaalsContact C-N 3.34Å; C675-H677 PolarHBondContact O-N 3.01Å; C675-Y732 HydrophobicContact CB-CD2 4.24Å; C675-Y732 HydrophobicContact CB-CE2 4.15Å; C675-S735 PolarHBondContact O-OG 2.91Å | ||
| 676 | T | 54.9 | Low | 46.8 | Very low | 80 Ų | 80 | 98.4 Ų | 98.4 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | trans | -92.1 | 13.7 | 175.1 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | D612 Y674 S678 | D612-T676 VanDerWaalsContact OD1-CB 3.32Å; D612-T676 WeakPolarHBondContact OD1-CB 3.4Å; D612-T676 VanDerWaalsContact OD1-CG2 3.26Å; D612-T676 WeakPolarHBondContact OD1-CG2 3.39Å; D612-T676 PolarHBondContact OD1-OG1 3.26Å; Y674-T676 PolarHBondContact O-N 3Å; T676-S678 VanDerWaalsContact C-N 3.29Å; T676-S678 PolarHBondContact O-N 2.85Å | ||
| 677 | H | 51.2 | Low | 45.1 | Very low | 60.6667 Ų | 60.6667 | 100.1 Ų | 100.1 | 28% | 0.281 | 52% | 0.523 | S | S | . | . | trans | -69.7 | 91.6 | 179.8 | -109.1 | 67.5 | 0 | 0 | 0 | 110.7 | C675 | C675-H677 VanDerWaalsContact C-N 3.34Å; C675-H677 PolarHBondContact O-N 3.01Å | ||
| 678 | S | 43.9 | Very low | 43.3 | Very low | 56.3333 Ų | 56.3333 | 103.2 Ų | 103.2 | 39% | 0.394 | 55% | 0.545 | S | S | . | . | trans | -73 | 145.7 | 163.9 | 74.8 | 0 | 0 | 0 | 0 | 109.5 | T676 H680 N681 | T676-S678 VanDerWaalsContact C-N 3.29Å; T676-S678 PolarHBondContact O-N 2.85Å; S678-H680 PolarHBondContact O-N 3.25Å; S678-N681 PolarHBondContact O-N 3.18Å | ||
| 679 | I | 44 | Very low | 42 | Very low | 127.333 Ų | 127.333 | 104.3 Ų | 104.3 | 65% | 0.653 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -51 | -12.6 | -176.8 | -66.5 | 161.7 | 0 | 0 | 0 | 114.1 | N681 R682 | I679-N681 VanDerWaalsContact C-N 3.3Å; I679-N681 PolarHBondContact O-N 3.42Å; I679-R682 PolarHBondContact O-N 3.33Å |
| 680 | H | 37.3 | Very low | 40.7 | Very low | 149.667 Ų | 149.667 | 107.7 Ų | 107.7 | 69% | 0.693 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -65.9 | -13.4 | -179.8 | -74.7 | -61.4 | 0 | 0 | 0 | 116 | S678 K779 | S678-H680 PolarHBondContact O-N 3.25Å; H680-K779 PolarHBondContact CE1-NZ 2.89Å; H680-K779 VanDerWaalsContact CE1-NZ 3.34Å; H680-K779 PolarHBondContact NE2-NZ 3.39Å |
| 681 | N | 36.5 | Very low | 39.7 | Very low | 92.6667 Ų | 92.6667 | 110.5 Ų | 110.5 | 50% | 0.496 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -104.6 | 24.6 | -177.4 | -75.7 | -10.2 | 0 | 0 | 0 | 114.8 | K616 S678 I679 F683 | K616-N681 WeakPolarHBondContact CE-OD1 3.24Å; S678-N681 PolarHBondContact O-N 3.18Å; I679-N681 VanDerWaalsContact C-N 3.3Å; I679-N681 PolarHBondContact O-N 3.42Å; N681-F683 PolarHBondContact O-N 3.11Å; N681-F683 VanDerWaalsContact O-N 3.11Å |
| 682 | R | 29.2 | Very low | 38.7 | Very low | 217 Ų | 217 | 113.8 Ų | 113.8 | 82% | 0.819 | 59% | 0.593 | S | S | * | * | trans | -71.8 | 97.4 | 166 | -90 | -171 | -178.4 | 179.8 | 1.8 | 109.7 | I679 | I679-R682 PolarHBondContact O-N 3.33Š| ||
| 683 | F | 27.4 | Very low | 37.3 | Very low | 155.333 Ų | 155.333 | 119.3 Ų | 119.3 | 68% | 0.681 | 62% | 0.619 | S | S | * | * | trans | -86.4 | 132.4 | 154.2 | -88.1 | -81.2 | 0 | 0 | 0 | 109 | K616 N681 F685 | K616-F683 HydrophobicContact CB-CE2 4.29Å; K616-F683 HydrophobicContact CB-CZ 4.49Å; N681-F683 PolarHBondContact O-N 3.11Å; N681-F683 VanDerWaalsContact O-N 3.11Å; F683-F685 VanDerWaalsContact C-N 3.28Å; F683-F685 HydrophobicContact CB-CD2 4.25Å; F683-F685 HydrophobicContact CB-CE2 4.24Å; F683-F685 PolarHBondContact O-N 3.12Å | ||
| 684 | D | 27.1 | Very low | 36.1 | Very low | 148 Ų | 148 | 117.8 Ų | 117.8 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | trans | -60.4 | 88.9 | 177.8 | -68.8 | -42.5 | 0 | 0 | 0 | 111.5 | S686 | D684-S686 PolarHBondContact O-N 3.35Š| ||
| 685 | F | 27 | Very low | 34.7 | Very low | 162.333 Ų | 162.333 | 121.5 Ų | 121.5 | 71% | 0.712 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 65.6 | 158.7 | -80.4 | -79.3 | 0 | 0 | 0 | 109 | F683 N687 | F683-F685 VanDerWaalsContact C-N 3.28Å; F683-F685 HydrophobicContact CB-CD2 4.25Å; F683-F685 HydrophobicContact CB-CE2 4.24Å; F683-F685 PolarHBondContact O-N 3.12Å; F685-N687 PolarHBondContact O-N 2.98Å; F685-N687 VanDerWaalsContact O-N 3.17Å |
| 686 | S | 28.4 | Very low | 33.5 | Very low | 92.6667 Ų | 92.6667 | 129 Ų | 129 | 65% | 0.648 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 20.7 | 165.9 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | D684 | D684-S686 PolarHBondContact O-N 3.35Š|
| 687 | N | 26.1 | Very low | 32.9 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -143.8 | 53.1 | 177.7 | -80 | -15 | 0 | 0 | 0 | 113.3 | F685 | F685-N687 PolarHBondContact O-N 2.98Å; F685-N687 VanDerWaalsContact O-N 3.17Å |
| 688 | S | 26 | Very low | 32.7 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | trans | -139.3 | 79 | 160.9 | 63.7 | 0 | 0 | 0 | 0 | 110.2 | N690 | S688-N690 PolarHBondContact O-N 2.97Å; S688-N690 VanDerWaalsContact O-N 3.11Å | ||
| 689 | S | 26.5 | Very low | 33.2 | Very low | 115.333 Ų | 115.333 | 136.7 Ų | 136.7 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | trans | -66.2 | 88.9 | 160.8 | 53.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 690 | N | 27 | Very low | 33.8 | Very low | 148.667 Ų | 148.667 | 131.7 Ų | 131.7 | 80% | 0.795 | 69% | 0.69 | S | S | * | * | trans | -145.6 | 71.4 | 165.6 | -89.1 | -19.1 | 0 | 0 | 0 | 107.8 | S688 N692 | S688-N690 PolarHBondContact O-N 2.97Å; S688-N690 VanDerWaalsContact O-N 3.11Å; N690-N692 PolarHBondContact O-N 3.44Å; N690-N692 VanDerWaalsContact O-N 3.16Å | ||
| 691 | E | 29.1 | Very low | 35.3 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 83% | 0.827 | 67% | 0.674 | S | S | * | * | trans | -76.5 | 3.8 | 177.9 | -80.6 | -173.6 | 155.2 | 0 | 0 | 114.2 | N693 | E691-N693 PolarHBondContact O-N 3.46Š| ||
| 692 | N | 28.8 | Very low | 36.8 | Very low | 144.333 Ų | 144.333 | 123.6 Ų | 123.6 | 77% | 0.772 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 9.2 | -164.2 | -71.9 | -2.4 | 0 | 0 | 0 | 117.2 | N690 | N690-N692 PolarHBondContact O-N 3.44Å; N690-N692 VanDerWaalsContact O-N 3.16Å |
| 693 | N | 30.3 | Very low | 39 | Very low | 154.667 Ų | 154.667 | 115.8 Ų | 115.8 | 83% | 0.827 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 12.1 | -178.5 | -74.6 | -12.5 | 0 | 0 | 0 | 115.6 | E691 | E691-N693 PolarHBondContact O-N 3.46Š|
| 694 | A | 32.4 | Very low | 41.5 | Very low | 67.6667 Ų | 67.6667 | 110.8 Ų | 110.8 | 56% | 0.559 | 61% | 0.606 | S | S | * | * | trans | -95.5 | -4.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N696 | A694-N696 VanDerWaalsContact C-N 3.3Å; A694-N696 PolarHBondContact O-N 2.97Å; A694-N696 VanDerWaalsContact O-N 3.12Å | ||
| 695 | D | 32.3 | Very low | 44.1 | Very low | 147.333 Ų | 147.333 | 103.9 Ų | 103.9 | 79% | 0.788 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -6.2 | -169.5 | -77.5 | -16.9 | 0 | 0 | 0 | 115.8 | ||
| 696 | N | 38.1 | Very low | 46.6 | Very low | 163.667 Ų | 163.667 | 96.3 Ų | 96.3 | 88% | 0.875 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 8.1 | -176.8 | -74.6 | -15.3 | 0 | 0 | 0 | 114.9 | A694 E698 | A694-N696 VanDerWaalsContact C-N 3.3Å; A694-N696 PolarHBondContact O-N 2.97Å; A694-N696 VanDerWaalsContact O-N 3.12Å; N696-E698 PolarHBondContact O-N 2.83Å |
| 697 | L | 43.3 | Very low | 49.2 | Very low | 63 Ų | 63 | 95.4 Ų | 95.4 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -93.2 | 119.2 | 169.7 | -123.3 | 96.4 | 0 | 0 | 0 | 108.5 | N622 L625 A626 Q629 N699 | N622-L697 HydrophobicContact CB-CD1 4.42Å; L625-L697 HydrophobicContact CD2-CD2 4.08Å; A626-L697 HydrophobicContact CB-CD1 3.91Å; A626-L697 HydrophobicContact CB-CD2 3.5Å; A626-L697 HydrophobicContact CB-CG 4.18Å; Q629-L697 VanDerWaalsContact OE1-CD2 3.29Å; L697-N699 VanDerWaalsContact C-N 3.26Å; L697-N699 PolarHBondContact O-N 3.09Å |
| 698 | E | 45.4 | Very low | 51.9 | Low | 154 Ų | 154 | 88 Ų | 88 | 72% | 0.72 | 48% | 0.482 | S | S | * | . | trans | -51.3 | 101 | 171.6 | -69.9 | -173.7 | 158.4 | 0 | 0 | 109.1 | N696 L700 | N696-E698 PolarHBondContact O-N 2.83Å; E698-L700 PolarHBondContact O-N 3.1Å | ||
| 699 | N | 54 | Low | 54.6 | Low | 140.667 Ų | 140.667 | 83.6 Ų | 83.6 | 75% | 0.752 | 45% | 0.451 | S | S | * | . | trans | -39.3 | 93.6 | 178.1 | -71.3 | -33.3 | 0 | 0 | 0 | 111.2 | L697 S701 | L697-N699 VanDerWaalsContact C-N 3.26Å; L697-N699 PolarHBondContact O-N 3.09Å; N699-S701 PolarHBondContact O-N 2.93Å | ||
| 700 | L | 57.9 | Low | 57.3 | Low | 23.3333 Ų | 23.3333 | 80.2 Ų | 80.2 | 12% | 0.122 | 43% | 0.427 | C | S | . | . | trans | -53.6 | 106.6 | 171 | -172.7 | 102.8 | 0 | 0 | 0 | 108.8 | Q629 F632 L633 I660 L661 V664 E698 L702 E704 Y705 | Q629-L700 HydrophobicContact CB-CB 4.43Å; Q629-L700 HydrophobicContact CB-CD1 4.19Å; Q629-L700 VanDerWaalsContact CD-CD1 3.48Å; Q629-L700 HydrophobicContact CG-CB 4.14Å; Q629-L700 HydrophobicContact CG-CD1 3.98Å; Q629-L700 HydrophobicContact CG-CD2 4.45Å; F632-L700 HydrophobicContact CD1-CD1 4.03Å; F632-L700 HydrophobicContact CE1-CD1 4.06Å; L633-L700 HydrophobicContact CD1-CD1 3.84Å; L633-L700 HydrophobicContact CD2-CD1 3.79Å; L633-L700 HydrophobicContact CG-CD1 3.54Å; I660-L700 HydrophobicContact CG2-CD1 4.23Å; I660-L700 HydrophobicContact CG2-CD2 4.19Å; L661-L700 HydrophobicContact CD2-CD2 4.39Å; V664-L700 HydrophobicContact CG2-CD2 4.5Å; E698-L700 PolarHBondContact O-N 3.1Å; L700-L702 HydrophobicContact CD2-CD2 4.36Å; L700-L702 PolarHBondContact O-N 3.34Å; L700-E704 VanDerWaalsContact CA-OE2 3.24Å; L700-E704 WeakPolarHBondContact CA-OE2 3.5Å; L700-E704 HydrophobicContact CD1-CB 4.45Å; L700-E704 WeakPolarHBondContact CD1-OE2 3.36Å; L700-E704 VanDerWaalsContact CG-OE2 3.26Å; L700-E704 WeakPolarHBondContact CG-OE2 3.44Å; L700-Y705 HydrophobicContact CD1-CE2 4.36Å; L700-Y705 HydrophobicContact CD2-CD2 4.45Å; L700-Y705 HydrophobicContact CD2-CE1 4.31Å; L700-Y705 HydrophobicContact CD2-CE2 3.74Å; L700-Y705 VanDerWaalsContact CD2-CE2 3.43Å; L700-Y705 WeakPolarHBondContact CD2-OH 3.38Å; L700-Y705 HydrophobicContact CG-CE2 4.25Å | ||
| 701 | S | 67.9 | Low | 59.8 | Low | 49 Ų | 49 | 74.6 Ų | 74.6 | 34% | 0.343 | 40% | 0.396 | S | S | . | . | trans | -78.3 | 132.8 | 179.4 | 76.2 | 0 | 0 | 0 | 0 | 109.1 | N699 F703 E704 | N699-S701 PolarHBondContact O-N 2.93Å; S701-F703 PolarHBondContact O-N 3.01Å; S701-E704 PolarHBondContact N-OE2 3.49Å; S701-E704 WeakPolarHBondContact O-CB 3.31Å; S701-E704 PolarHBondContact O-N 3.28Å | ||
| 702 | L | 69.6 | Low | 62.2 | Low | 22 Ų | 22 | 66.3 Ų | 66.3 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -16.3 | 175.7 | -77.8 | -179.1 | 0 | 0 | 0 | 113 | L661 L700 E704 Y705 I706 F741 M742 | L661-L702 HydrophobicContact CD1-CD2 4.21Å; L661-L702 HydrophobicContact CD2-CD2 3.29Å; L661-L702 HydrophobicContact CG-CD2 4.39Å; L700-L702 HydrophobicContact CD2-CD2 4.36Å; L700-L702 PolarHBondContact O-N 3.34Å; L702-E704 VanDerWaalsContact C-N 3.29Å; L702-E704 PolarHBondContact O-N 3.25Å; L702-Y705 HydrophobicContact CD2-CD2 4.03Å; L702-Y705 HydrophobicContact CD2-CE2 4.13Å; L702-Y705 WeakPolarHBondContact O-CB 3.33Å; L702-Y705 PolarHBondContact O-N 3.33Å; L702-I706 PolarHBondContact O-N 3.27Å; L702-F741 HydrophobicContact CB-CB 4.19Å; L702-F741 HydrophobicContact CD1-CB 3.56Å; L702-F741 HydrophobicContact CD1-CD2 4.08Å; L702-F741 HydrophobicContact CD1-CG 4.05Å; L702-F741 HydrophobicContact CG-CB 3.67Å; L702-F741 HydrophobicContact CG-CD2 4.44Å; L702-F741 HydrophobicContact CG-CG 4.34Å; L702-M742 HydrophobicContact CB-CG 4.03Å; L702-M742 HydrophobicContact CB-SD 4.27Å; L702-M742 HydrophobicContact CD1-CG 4.11Å; L702-M742 HydrophobicContact CD1-SD 4.28Å; L702-M742 HydrophobicContact CG-CG 4.42Å |
| 703 | F | 74.9 | Confident | 64.6 | Low | 54.6667 Ų | 54.6667 | 59.7 Ų | 59.7 | 24% | 0.24 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.1 | -32.6 | 176.5 | -171.2 | -106.9 | 0 | 0 | 0 | 113.6 | S701 Y705 I706 E707 Q746 I749 | S701-F703 PolarHBondContact O-N 3.01Å; F703-Y705 PolarHBondContact O-N 3.32Å; F703-I706 HydrophobicContact CD2-CD1 4.35Å; F703-I706 WeakPolarHBondContact O-CA 3.34Å; F703-I706 WeakPolarHBondContact O-CB 3.37Å; F703-I706 PolarHBondContact O-N 3.07Å; F703-E707 HydrophobicContact CD1-CG 4.17Å; F703-E707 HydrophobicContact CE1-CG 3.82Å; F703-E707 VanDerWaalsContact CE1-OE1 3.3Å; F703-E707 WeakPolarHBondContact CE1-OE1 3.33Å; F703-E707 HydrophobicContact CZ-CG 4.38Å; F703-E707 PolarHBondContact O-N 3.07Å; F703-Q746 HydrophobicContact CD2-CB 4.17Å; F703-Q746 HydrophobicContact CD2-CG 3.72Å; F703-Q746 HydrophobicContact CE2-CG 4.23Å; F703-Q746 HydrophobicContact CG-CG 4.43Å; F703-I749 HydrophobicContact CE2-CD1 4.12Å; F703-I749 HydrophobicContact CE2-CG2 4.45Å; F703-I749 HydrophobicContact CZ-CD1 4.39Å |
| 704 | E | 78.8 | Confident | 66.8 | Low | 49 Ų | 49 | 57.2 Ų | 57.2 | 23% | 0.229 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -29.6 | 178.6 | -67.6 | 170.3 | 159.5 | 0 | 0 | 112.1 | L633 L700 S701 L702 I706 E707 F708 | L633-E704 HydrophobicContact CD2-CB 4.18Å; L633-E704 VanDerWaalsContact CD2-CD 3.47Å; L633-E704 HydrophobicContact CD2-CG 3.97Å; L633-E704 WeakPolarHBondContact CD2-OE1 3.22Å; L633-E704 WeakPolarHBondContact CD2-OE2 3.37Å; L700-E704 VanDerWaalsContact CA-OE2 3.24Å; L700-E704 WeakPolarHBondContact CA-OE2 3.5Å; L700-E704 HydrophobicContact CD1-CB 4.45Å; L700-E704 WeakPolarHBondContact CD1-OE2 3.36Å; L700-E704 VanDerWaalsContact CG-OE2 3.26Å; L700-E704 WeakPolarHBondContact CG-OE2 3.44Å; S701-E704 PolarHBondContact N-OE2 3.49Å; S701-E704 WeakPolarHBondContact O-CB 3.31Å; S701-E704 PolarHBondContact O-N 3.28Å; L702-E704 VanDerWaalsContact C-N 3.29Å; L702-E704 PolarHBondContact O-N 3.25Å; E704-I706 VanDerWaalsContact C-N 3.34Å; E704-E707 PolarHBondContact O-N 3.39Å; E704-F708 WeakPolarHBondContact O-CB 3.29Å; E704-F708 PolarHBondContact O-N 3.09Å |
| 705 | Y | 81.6 | Confident | 68.7 | Low | 3.33333 Ų | 3.33333 | 56.1 Ų | 56.1 | 1% | 0.013 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.7 | -31.7 | 172.9 | -61.9 | -82.2 | 0 | 0 | 0 | 112.4 | F632 S657 I660 L661 L700 L702 F703 F708 L709 L733 | F632-Y705 HydrophobicContact CD1-CE1 4.32Å; F632-Y705 HydrophobicContact CD2-CE1 4.46Å; F632-Y705 HydrophobicContact CE1-CD1 4.08Å; F632-Y705 AromaticContact CE1-CE1 3.85Å; F632-Y705 HydrophobicContact CE1-CE1 3.85Å; F632-Y705 HydrophobicContact CE2-CD1 4.29Å; F632-Y705 HydrophobicContact CE2-CE1 4.26Å; F632-Y705 AromaticContact CZ-CD1 3.8Å; F632-Y705 HydrophobicContact CZ-CD1 3.8Å; F632-Y705 AromaticContact CZ-CE1 3.83Å; F632-Y705 HydrophobicContact CZ-CE1 3.83Å; S657-Y705 VanDerWaalsContact CB-CE1 3.47Å; I660-Y705 WeakPolarHBondContact CB-OH 3.4Å; I660-Y705 WeakPolarHBondContact CD1-OH 3.49Å; I660-Y705 VanDerWaalsContact CG2-OH 3.26Å; I660-Y705 WeakPolarHBondContact CG2-OH 3.45Å; L661-Y705 HydrophobicContact CB-CE1 4.38Å; L661-Y705 HydrophobicContact CD1-CD1 4.1Å; L661-Y705 HydrophobicContact CD1-CD2 4.2Å; L661-Y705 HydrophobicContact CD1-CE1 4.05Å; L661-Y705 HydrophobicContact CD1-CE2 4.03Å; L661-Y705 HydrophobicContact CD1-CG 4.22Å; L661-Y705 HydrophobicContact CD2-CD2 4.3Å; L661-Y705 HydrophobicContact CD2-CE2 4.01Å; L661-Y705 HydrophobicContact CG-CD2 4.39Å; L661-Y705 HydrophobicContact CG-CE1 4.35Å; L661-Y705 HydrophobicContact CG-CE2 3.99Å; L700-Y705 HydrophobicContact CD1-CE2 4.36Å; L700-Y705 HydrophobicContact CD2-CD2 4.45Å; L700-Y705 HydrophobicContact CD2-CE1 4.31Å; L700-Y705 HydrophobicContact CD2-CE2 3.74Å; L700-Y705 VanDerWaalsContact CD2-CE2 3.43Å; L700-Y705 WeakPolarHBondContact CD2-OH 3.38Å; L700-Y705 HydrophobicContact CG-CE2 4.25Å; L702-Y705 HydrophobicContact CD2-CD2 4.03Å; L702-Y705 HydrophobicContact CD2-CE2 4.13Å; L702-Y705 WeakPolarHBondContact O-CB 3.33Å; L702-Y705 PolarHBondContact O-N 3.33Å; F703-Y705 PolarHBondContact O-N 3.32Å; Y705-F708 PolarHBondContact O-N 3.41Å; Y705-L709 WeakPolarHBondContact O-CB 3.43Å; Y705-L709 PolarHBondContact O-N 3.09Å; Y705-L733 HydrophobicContact CD1-CD2 4.23Å |
| 706 | I | 79.8 | Confident | 70.4 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.1 | -41.7 | 174.2 | -61.9 | 171.1 | 0 | 0 | 0 | 109.9 | L702 F703 E704 F708 L709 S710 M742 I749 Y750 L753 | L702-I706 PolarHBondContact O-N 3.27Å; F703-I706 HydrophobicContact CD2-CD1 4.35Å; F703-I706 WeakPolarHBondContact O-CA 3.34Å; F703-I706 WeakPolarHBondContact O-CB 3.37Å; F703-I706 PolarHBondContact O-N 3.07Å; E704-I706 VanDerWaalsContact C-N 3.34Å; I706-F708 VanDerWaalsContact C-N 3.28Å; I706-F708 PolarHBondContact O-N 3.19Å; I706-L709 PolarHBondContact O-N 3.21Å; I706-S710 WeakPolarHBondContact O-CB 3.45Å; I706-S710 PolarHBondContact O-N 3.19Å; I706-M742 HydrophobicContact CD1-CE 3.22Å; I706-M742 HydrophobicContact CD1-SD 4.24Å; I706-M742 HydrophobicContact CG1-CE 4.3Å; I706-I749 HydrophobicContact CG2-CG2 4.36Å; I706-Y750 HydrophobicContact CD1-CD2 4.4Å; I706-Y750 HydrophobicContact CG1-CD2 4.18Å; I706-L753 HydrophobicContact CG2-CD1 4.12Å |
| 707 | E | 82.6 | Confident | 71.7 | Confident | 73.3333 Ų | 73.3333 | 52 Ų | 52 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 171.4 | -73.4 | -163.3 | 172.5 | 0 | 0 | 111.8 | F636 K640 F703 E704 S710 F711 | F636-E707 HydrophobicContact CE1-CB 4.25Å; F636-E707 HydrophobicContact CZ-CB 4.22Å; K640-E707 IonicContact NZ-OE2 3.15Å; K640-E707 PolarHBondContact NZ-OE2 3.09Å; F703-E707 HydrophobicContact CD1-CG 4.17Å; F703-E707 HydrophobicContact CE1-CG 3.82Å; F703-E707 VanDerWaalsContact CE1-OE1 3.3Å; F703-E707 WeakPolarHBondContact CE1-OE1 3.33Å; F703-E707 HydrophobicContact CZ-CG 4.38Å; F703-E707 PolarHBondContact O-N 3.07Å; E704-E707 PolarHBondContact O-N 3.39Å; E707-S710 WeakPolarHBondContact O-CB 3.35Å; E707-S710 PolarHBondContact O-N 3.09Å; E707-F711 WeakPolarHBondContact O-CB 3.17Å; E707-F711 PolarHBondContact O-N 3.17Å |
| 708 | F | 83.2 | Confident | 72.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 175.6 | 178.3 | -121.2 | 0 | 0 | 0 | 111.4 | F632 F636 I650 L653 E704 Y705 I706 S710 F711 I712 F729 | F632-F708 HydrophobicContact CE2-CD1 4.21Å; F632-F708 HydrophobicContact CE2-CD2 4.47Å; F632-F708 HydrophobicContact CE2-CE1 4.39Å; F632-F708 HydrophobicContact CE2-CG 4.39Å; F632-F708 HydrophobicContact CZ-CB 4.12Å; F632-F708 HydrophobicContact CZ-CD1 4.11Å; F632-F708 HydrophobicContact CZ-CD2 4.31Å; F632-F708 AromaticContact CZ-CG 3.87Å; F632-F708 HydrophobicContact CZ-CG 4.02Å; F636-F708 HydrophobicContact CD2-CB 4.47Å; F636-F708 AromaticContact CD2-CD2 3.74Å; F636-F708 HydrophobicContact CD2-CD2 3.74Å; F636-F708 HydrophobicContact CD2-CE2 4.44Å; F636-F708 HydrophobicContact CE1-CB 4.3Å; F636-F708 HydrophobicContact CE2-CB 4.15Å; F636-F708 AromaticContact CE2-CD2 3.67Å; F636-F708 HydrophobicContact CE2-CD2 3.67Å; F636-F708 HydrophobicContact CE2-CG 4.4Å; F636-F708 HydrophobicContact CG-CD2 4.48Å; F636-F708 VanDerWaalsContact CZ-CA 3.42Å; F636-F708 HydrophobicContact CZ-CB 3.94Å; F636-F708 HydrophobicContact CZ-CD2 4.33Å; I650-F708 HydrophobicContact CG2-CZ 4.47Å; L653-F708 HydrophobicContact CB-CE1 4.13Å; L653-F708 HydrophobicContact CB-CE2 3.89Å; L653-F708 HydrophobicContact CB-CZ 3.41Å; L653-F708 VanDerWaalsContact CB-CZ 3.43Å; L653-F708 HydrophobicContact CD1-CD2 4.16Å; L653-F708 HydrophobicContact CD1-CE2 3.53Å; L653-F708 HydrophobicContact CD1-CZ 3.96Å; L653-F708 HydrophobicContact CG-CE2 4.38Å; L653-F708 HydrophobicContact CG-CZ 4.36Å; E704-F708 WeakPolarHBondContact O-CB 3.29Å; E704-F708 PolarHBondContact O-N 3.09Å; Y705-F708 PolarHBondContact O-N 3.41Å; I706-F708 VanDerWaalsContact C-N 3.28Å; I706-F708 PolarHBondContact O-N 3.19Å; F708-S710 VanDerWaalsContact C-N 3.33Å; F708-S710 PolarHBondContact O-N 3.08Å; F708-F711 PolarHBondContact O-N 3.15Å; F708-I712 HydrophobicContact CD1-CD1 3.73Å; F708-I712 HydrophobicContact CD2-CD1 4.16Å; F708-I712 HydrophobicContact CD2-CG1 4.23Å; F708-I712 HydrophobicContact CE1-CD1 3.3Å; F708-I712 HydrophobicContact CE1-CG1 4.3Å; F708-I712 HydrophobicContact CE2-CD1 3.76Å; F708-I712 HydrophobicContact CE2-CG1 3.85Å; F708-I712 HydrophobicContact CG-CD1 4.14Å; F708-I712 HydrophobicContact CZ-CD1 3.31Å; F708-I712 HydrophobicContact CZ-CG1 3.89Å; F708-I712 VanDerWaalsContact O-CG1 3.28Å; F708-I712 WeakPolarHBondContact O-CG1 3.28Å; F708-I712 PolarHBondContact O-N 3.23Å; F708-F729 HydrophobicContact CD1-CD1 4.44Å; F708-F729 AromaticContact CD1-CE1 3.65Å; F708-F729 HydrophobicContact CD1-CE1 3.65Å; F708-F729 AromaticContact CD1-CZ 3.83Å; F708-F729 HydrophobicContact CD1-CZ 3.83Å; F708-F729 HydrophobicContact CE1-CD1 4.43Å; F708-F729 AromaticContact CE1-CE1 3.92Å; F708-F729 HydrophobicContact CE1-CE1 3.96Å; F708-F729 HydrophobicContact CE1-CZ 4.1Å |
| 709 | L | 83.2 | Confident | 73.3 | Confident | 0.333333 Ų | 0.333333 | 47.8 Ų | 47.8 | 0% | 0.002 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 173.7 | -174.9 | 73 | 0 | 0 | 0 | 111.4 | Y705 I706 F711 I712 F713 I726 F729 A730 L733 Y750 L753 I754 | Y705-L709 WeakPolarHBondContact O-CB 3.43Å; Y705-L709 PolarHBondContact O-N 3.09Å; I706-L709 PolarHBondContact O-N 3.21Å; L709-F711 VanDerWaalsContact C-N 3.33Å; L709-F711 PolarHBondContact O-N 3.19Å; L709-I712 PolarHBondContact O-N 3.41Å; L709-F713 HydrophobicContact CD1-CD2 4.26Å; L709-F713 HydrophobicContact CD1-CE2 3.86Å; L709-F713 HydrophobicContact CD1-CZ 4.46Å; L709-F713 HydrophobicContact CD2-CE2 4.01Å; L709-F713 HydrophobicContact CG-CD2 3.94Å; L709-F713 HydrophobicContact CG-CE2 3.64Å; L709-F713 VanDerWaalsContact O-CD2 3.23Å; L709-F713 WeakPolarHBondContact O-CD2 3.28Å; L709-F713 PolarHBondContact O-N 3.05Å; L709-I726 HydrophobicContact CD1-CG2 4.35Å; L709-F729 HydrophobicContact CB-CE1 4.27Å; L709-F729 HydrophobicContact CD1-CD1 3.8Å; L709-F729 HydrophobicContact CD1-CE1 4.29Å; L709-A730 HydrophobicContact CD1-CB 4.2Å; L709-L733 HydrophobicContact CB-CD1 4.27Å; L709-L733 HydrophobicContact CD1-CD1 4.25Å; L709-L733 HydrophobicContact CD2-CD1 4.05Å; L709-Y750 HydrophobicContact CD2-CD2 4.38Å; L709-Y750 HydrophobicContact CD2-CE2 3.94Å; L709-L753 HydrophobicContact CD2-CD2 3.58Å; L709-L753 VanDerWaalsContact CD2-CD2 3.41Å; L709-L753 HydrophobicContact CG-CD2 3.95Å; L709-I754 HydrophobicContact CD2-CD1 4.12Å |
| 710 | S | 83.2 | Confident | 73.5 | Confident | 43.3333 Ų | 43.3333 | 49.2 Ų | 49.2 | 30% | 0.303 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 174.9 | -165.5 | 0 | 0 | 0 | 0 | 111.5 | I706 E707 F708 I712 F713 D714 L753 | I706-S710 WeakPolarHBondContact O-CB 3.45Å; I706-S710 PolarHBondContact O-N 3.19Å; E707-S710 WeakPolarHBondContact O-CB 3.35Å; E707-S710 PolarHBondContact O-N 3.09Å; F708-S710 VanDerWaalsContact C-N 3.33Å; F708-S710 PolarHBondContact O-N 3.08Å; S710-I712 VanDerWaalsContact C-N 3.33Å; S710-I712 PolarHBondContact O-N 2.89Å; S710-F713 PolarHBondContact O-N 3.25Å; S710-D714 PolarHBondContact O-N 3.22Å; S710-L753 VanDerWaalsContact CB-CD1 3.43Å |
| 711 | F | 80.5 | Confident | 73.9 | Confident | 31.6667 Ų | 31.6667 | 54 Ų | 54 | 14% | 0.139 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | -179.9 | -176.3 | -102.3 | 0 | 0 | 0 | 111.7 | F636 L639 K640 M645 E707 F708 L709 F713 D714 Q715 | F636-F711 HydrophobicContact CE2-CB 4.01Å; F636-F711 AromaticContact CE2-CD1 3.89Å; F636-F711 HydrophobicContact CE2-CD1 4.04Å; F636-F711 AromaticContact CE2-CG 3.98Å; F636-F711 HydrophobicContact CE2-CG 4.06Å; F636-F711 HydrophobicContact CZ-CB 4.35Å; L639-F711 HydrophobicContact CB-CE1 4.22Å; L639-F711 HydrophobicContact CB-CZ 4.44Å; K640-F711 HydrophobicContact CG-CD2 4.41Å; K640-F711 HydrophobicContact CG-CE2 4.32Å; M645-F711 HydrophobicContact CE-CD1 4.04Å; M645-F711 HydrophobicContact CE-CE1 3.53Å; M645-F711 VanDerWaalsContact CE-CE1 3.46Å; M645-F711 HydrophobicContact CE-CZ 4.36Å; M645-F711 HydrophobicContact CG-CE1 4.43Å; M645-F711 HydrophobicContact SD-CE1 4.04Å; E707-F711 WeakPolarHBondContact O-CB 3.17Å; E707-F711 PolarHBondContact O-N 3.17Å; F708-F711 PolarHBondContact O-N 3.15Å; L709-F711 VanDerWaalsContact C-N 3.33Å; L709-F711 PolarHBondContact O-N 3.19Å; F711-F713 VanDerWaalsContact C-N 3.35Å; F711-D714 PolarHBondContact O-N 3.25Å; F711-Q715 HydrophobicContact CD1-CG 4.34Å; F711-Q715 HydrophobicContact CE1-CG 4.14Å; F711-Q715 HydrophobicContact CE2-CG 4.46Å; F711-Q715 HydrophobicContact CZ-CG 4.18Å; F711-Q715 VanDerWaalsContact O-CG 3.27Å; F711-Q715 WeakPolarHBondContact O-CG 3.31Å; F711-Q715 PolarHBondContact O-N 3.2Å; F711-Q715 VanDerWaalsContact O-N 3.13Å |
| 712 | I | 78.9 | Confident | 73.9 | Confident | 2.66667 Ų | 2.66667 | 51.8 Ų | 51.8 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 175.3 | -64.4 | 163 | 0 | 0 | 0 | 110.9 | I650 F708 L709 S710 D714 Q715 S716 V722 I726 F729 | I650-I712 HydrophobicContact CG2-CD1 4.34Å; I650-I712 HydrophobicContact CG2-CG1 4.29Å; I650-I712 HydrophobicContact CG2-CG2 4.2Å; F708-I712 HydrophobicContact CD1-CD1 3.73Å; F708-I712 HydrophobicContact CD2-CD1 4.16Å; F708-I712 HydrophobicContact CD2-CG1 4.23Å; F708-I712 HydrophobicContact CE1-CD1 3.3Å; F708-I712 HydrophobicContact CE1-CG1 4.3Å; F708-I712 HydrophobicContact CE2-CD1 3.76Å; F708-I712 HydrophobicContact CE2-CG1 3.85Å; F708-I712 HydrophobicContact CG-CD1 4.14Å; F708-I712 HydrophobicContact CZ-CD1 3.31Å; F708-I712 HydrophobicContact CZ-CG1 3.89Å; F708-I712 VanDerWaalsContact O-CG1 3.28Å; F708-I712 WeakPolarHBondContact O-CG1 3.28Å; F708-I712 PolarHBondContact O-N 3.23Å; L709-I712 PolarHBondContact O-N 3.41Å; S710-I712 VanDerWaalsContact C-N 3.33Å; S710-I712 PolarHBondContact O-N 2.89Å; I712-D714 PolarHBondContact O-N 2.78Å; I712-Q715 PolarHBondContact O-N 3.33Å; I712-S716 PolarHBondContact O-N 3.22Å; I712-V722 HydrophobicContact CG2-CG1 4.28Å; I712-I726 HydrophobicContact CB-CG1 4.48Å; I712-I726 HydrophobicContact CG2-CB 4.39Å; I712-I726 HydrophobicContact CG2-CD1 3.66Å; I712-I726 HydrophobicContact CG2-CG1 3.45Å; I712-I726 VanDerWaalsContact CG2-CG1 3.48Å; I712-I726 HydrophobicContact CG2-CG2 4.34Å; I712-F729 HydrophobicContact CD1-CD1 4.2Å; I712-F729 HydrophobicContact CD1-CE1 4.43Å |
| 713 | F | 78.7 | Confident | 74.1 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.7 | -83.9 | -62.3 | 0 | 0 | 0 | 112.1 | L709 S710 F711 Q715 S716 I726 L753 I754 N757 L761 | L709-F713 HydrophobicContact CD1-CD2 4.26Å; L709-F713 HydrophobicContact CD1-CE2 3.86Å; L709-F713 HydrophobicContact CD1-CZ 4.46Å; L709-F713 HydrophobicContact CD2-CE2 4.01Å; L709-F713 HydrophobicContact CG-CD2 3.94Å; L709-F713 HydrophobicContact CG-CE2 3.64Å; L709-F713 VanDerWaalsContact O-CD2 3.23Å; L709-F713 WeakPolarHBondContact O-CD2 3.28Å; L709-F713 PolarHBondContact O-N 3.05Å; S710-F713 PolarHBondContact O-N 3.25Å; F711-F713 VanDerWaalsContact C-N 3.35Å; F713-Q715 VanDerWaalsContact C-N 3.26Å; F713-Q715 PolarHBondContact O-N 3.33Å; F713-S716 WeakPolarHBondContact O-CB 3.46Å; F713-S716 PolarHBondContact O-N 3.12Å; F713-S716 PolarHBondContact O-OG 3.15Å; F713-I726 HydrophobicContact CD1-CG2 3.88Å; F713-I726 HydrophobicContact CE1-CG2 3.41Å; F713-I726 VanDerWaalsContact CE1-CG2 3.45Å; F713-I726 HydrophobicContact CE2-CG2 4.21Å; F713-I726 HydrophobicContact CG-CG2 4.42Å; F713-I726 HydrophobicContact CZ-CG2 3.6Å; F713-I726 VanDerWaalsContact CZ-CG2 3.48Å; F713-L753 HydrophobicContact CD2-CD2 3.65Å; F713-L753 VanDerWaalsContact CD2-CD2 3.44Å; F713-L753 HydrophobicContact CD2-CG 4.4Å; F713-L753 HydrophobicContact CE2-CD2 3.55Å; F713-L753 VanDerWaalsContact CE2-CD2 3.43Å; F713-I754 HydrophobicContact CE2-CD1 4.27Å; F713-I754 HydrophobicContact CZ-CD1 4.38Å; F713-N757 HydrophobicContact CD1-CB 3.5Å; F713-N757 HydrophobicContact CD2-CB 4.31Å; F713-N757 HydrophobicContact CE1-CB 3.57Å; F713-N757 VanDerWaalsContact CE1-CB 3.43Å; F713-N757 HydrophobicContact CE2-CB 4.37Å; F713-N757 HydrophobicContact CG-CB 3.9Å; F713-N757 HydrophobicContact CZ-CB 4.03Å; F713-L761 HydrophobicContact CE1-CD2 4.31Å; F713-L761 HydrophobicContact CE1-CG 4.4Å; F713-L761 HydrophobicContact CZ-CD1 4.24Å; F713-L761 HydrophobicContact CZ-CD2 4.19Å; F713-L761 HydrophobicContact CZ-CG 4.38Å |
| 714 | D | 77 | Confident | 74 | Confident | 101.667 Ų | 101.667 | 55 Ų | 55 | 54% | 0.544 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 177.3 | -73.9 | -27 | 0 | 0 | 0 | 112.5 | S710 F711 I712 | S710-D714 PolarHBondContact O-N 3.22Å; F711-D714 PolarHBondContact O-N 3.25Å; I712-D714 PolarHBondContact O-N 2.78Å |
| 715 | Q | 71.8 | Confident | 73.8 | Confident | 43.6667 Ų | 43.6667 | 54.1 Ų | 54.1 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -85.5 | -12.3 | -178.7 | -63.1 | -61.7 | -28.4 | 0 | 0 | 114.3 | M645 F711 I712 F713 K717 V718 V719 | M645-Q715 HydrophobicContact CE-CB 4.17Å; M645-Q715 HydrophobicContact CE-CG 4.03Å; M645-Q715 HydrophobicContact CG-CG 4.31Å; M645-Q715 HydrophobicContact SD-CB 4.46Å; M645-Q715 HydrophobicContact SD-CG 4.35Å; F711-Q715 HydrophobicContact CD1-CG 4.34Å; F711-Q715 HydrophobicContact CE1-CG 4.14Å; F711-Q715 HydrophobicContact CE2-CG 4.46Å; F711-Q715 HydrophobicContact CZ-CG 4.18Å; F711-Q715 VanDerWaalsContact O-CG 3.27Å; F711-Q715 WeakPolarHBondContact O-CG 3.31Å; F711-Q715 PolarHBondContact O-N 3.2Å; F711-Q715 VanDerWaalsContact O-N 3.13Å; I712-Q715 PolarHBondContact O-N 3.33Å; F713-Q715 VanDerWaalsContact C-N 3.26Å; F713-Q715 PolarHBondContact O-N 3.33Å; Q715-K717 PolarHBondContact O-N 3.29Å; Q715-V718 PolarHBondContact O-N 2.9Å; Q715-V719 PolarHBondContact O-N 3.26Å |
| 716 | S | 68.2 | Low | 73.6 | Confident | 34.6667 Ų | 34.6667 | 54.1 Ų | 54.1 | 24% | 0.242 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -28.2 | 178 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | I712 F713 V718 | I712-S716 PolarHBondContact O-N 3.22Å; F713-S716 WeakPolarHBondContact O-CB 3.46Å; F713-S716 PolarHBondContact O-N 3.12Å; F713-S716 PolarHBondContact O-OG 3.15Å; S716-V718 VanDerWaalsContact C-N 3.28Å; S716-V718 PolarHBondContact O-N 3.3Å |
| 717 | K | 65.7 | Low | 73.6 | Confident | 190.333 Ų | 190.333 | 54.7 Ų | 54.7 | 83% | 0.828 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.1 | 177.6 | -64.5 | 178 | -177.1 | 168.5 | 0 | 114.3 | Q715 | Q715-K717 PolarHBondContact O-N 3.29Š|
| 718 | V | 61.2 | Low | 73.3 | Confident | 105.667 Ų | 105.667 | 54.3 Ų | 54.3 | 64% | 0.64 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -34.1 | -171 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | Q715 S716 | Q715-V718 PolarHBondContact O-N 2.9Å; S716-V718 VanDerWaalsContact C-N 3.28Å; S716-V718 PolarHBondContact O-N 3.3Å |
| 719 | V | 60 | Low | 73.2 | Confident | 23.3333 Ų | 23.3333 | 54.3 Ų | 54.3 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -113.5 | 109.4 | -173.1 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | M645 K647 Q715 V722 | M645-V719 HydrophobicContact CB-CG2 4.26Å; K647-V719 HydrophobicContact CB-CG1 4.24Å; Q715-V719 PolarHBondContact O-N 3.26Å; V719-V722 HydrophobicContact CB-CG2 3.7Å; V719-V722 HydrophobicContact CG1-CG2 3.48Å; V719-V722 VanDerWaalsContact CG1-CG2 3.45Å; V719-V722 WeakPolarHBondContact O-CG2 3.46Å |
| 720 | E | 59.6 | Low | 73.1 | Confident | 170.333 Ų | 170.333 | 54.3 Ų | 54.3 | 80% | 0.796 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 141.1 | 176.4 | -67.7 | -176.6 | 172.1 | 0 | 0 | 111.5 | ||
| 721 | N | 64.7 | Low | 73 | Confident | 123.333 Ų | 123.333 | 53.1 Ų | 53.1 | 66% | 0.66 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 26.5 | 177.2 | -53 | -47.9 | 0 | 0 | 0 | 116.9 | K647 | K647-N721 WeakPolarHBondContact CE-O 3.36Å; K647-N721 PolarHBondContact NZ-O 3.08Å |
| 722 | V | 69.8 | Low | 73 | Confident | 2.66667 Ų | 2.66667 | 51.9 Ų | 51.9 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | trans | -91.1 | -19.3 | 173.1 | -176 | 0 | 0 | 0 | 0 | 112.6 | I650 I712 V719 A724 L725 I726 | I650-V722 HydrophobicContact CD1-CG1 4.13Å; I650-V722 HydrophobicContact CD1-CG2 4.17Å; I650-V722 HydrophobicContact CG2-CG1 4.38Å; I712-V722 HydrophobicContact CG2-CG1 4.28Å; V719-V722 HydrophobicContact CB-CG2 3.7Å; V719-V722 HydrophobicContact CG1-CG2 3.48Å; V719-V722 VanDerWaalsContact CG1-CG2 3.45Å; V719-V722 WeakPolarHBondContact O-CG2 3.46Å; V722-A724 VanDerWaalsContact C-N 3.3Å; V722-A724 PolarHBondContact O-N 3.13Å; V722-A724 VanDerWaalsContact O-N 3.09Å; V722-L725 HydrophobicContact CG1-CB 4.46Å; V722-L725 HydrophobicContact CG1-CD2 4.42Å; V722-L725 WeakPolarHBondContact O-CA 3.35Å; V722-L725 VanDerWaalsContact O-CB 3.29Å; V722-L725 WeakPolarHBondContact O-CB 3.36Å; V722-L725 PolarHBondContact O-N 3.18Å; V722-I726 HydrophobicContact CB-CD1 4.48Å; V722-I726 HydrophobicContact CG1-CD1 4.07Å; V722-I726 HydrophobicContact CG1-CG1 3.87Å; V722-I726 WeakPolarHBondContact O-CG1 3.43Å; V722-I726 PolarHBondContact O-N 3.28Å | ||
| 723 | D | 72 | Confident | 73.1 | Confident | 79.6667 Ų | 79.6667 | 52 Ų | 52 | 43% | 0.426 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.4 | -40.2 | -174.2 | -61.1 | -30.2 | 0 | 0 | 0 | 114.4 | L725 I726 N727 | D723-L725 VanDerWaalsContact C-N 3.33Å; D723-L725 PolarHBondContact O-N 3.2Å; D723-I726 PolarHBondContact O-N 3.28Å; D723-N727 WeakPolarHBondContact O-CB 3.47Å; D723-N727 PolarHBondContact O-N 3.16Å; D723-N727 PolarHBondContact O-ND2 2.94Å; D723-N727 PolarHBondContact O-OD1 3.03Å |
| 724 | A | 73.8 | Confident | 73.2 | Confident | 65.6667 Ų | 65.6667 | 51.7 Ų | 51.7 | 54% | 0.543 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V722 I726 N727 D728 | V722-A724 VanDerWaalsContact C-N 3.3Å; V722-A724 PolarHBondContact O-N 3.13Å; V722-A724 VanDerWaalsContact O-N 3.09Å; A724-I726 PolarHBondContact O-N 3.24Å; A724-N727 WeakPolarHBondContact O-CB 3.49Å; A724-N727 PolarHBondContact O-N 3.03Å; A724-D728 WeakPolarHBondContact O-CB 3.34Å; A724-D728 VanDerWaalsContact O-CG 3.29Å; A724-D728 PolarHBondContact O-N 3.14Å |
| 725 | L | 74.8 | Confident | 73.3 | Confident | 28.6667 Ų | 28.6667 | 48 Ų | 48 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 177.4 | -97.7 | 137.9 | 0 | 0 | 0 | 111.6 | K647 I650 I651 L673 Y674 V722 D723 N727 D728 F729 | K647-L725 HydrophobicContact CG-CD1 4.47Å; I650-L725 HydrophobicContact CB-CD2 4.29Å; I650-L725 HydrophobicContact CG2-CD2 3.55Å; I651-L725 HydrophobicContact CD1-CD1 4.06Å; I651-L725 HydrophobicContact CG1-CD1 3.81Å; I651-L725 VanDerWaalsContact CG1-CD1 3.47Å; I651-L725 HydrophobicContact CG1-CD2 3.97Å; I651-L725 HydrophobicContact CG1-CG 4.35Å; L673-L725 HydrophobicContact CD1-CD1 4.41Å; Y674-L725 WeakPolarHBondContact OH-CD2 3.3Å; V722-L725 HydrophobicContact CG1-CB 4.46Å; V722-L725 HydrophobicContact CG1-CD2 4.42Å; V722-L725 WeakPolarHBondContact O-CA 3.35Å; V722-L725 VanDerWaalsContact O-CB 3.29Å; V722-L725 WeakPolarHBondContact O-CB 3.36Å; V722-L725 PolarHBondContact O-N 3.18Å; D723-L725 VanDerWaalsContact C-N 3.33Å; D723-L725 PolarHBondContact O-N 3.2Å; L725-N727 VanDerWaalsContact C-N 3.34Å; L725-D728 PolarHBondContact O-N 3.37Å; L725-F729 VanDerWaalsContact O-CB 3.28Å; L725-F729 WeakPolarHBondContact O-CB 3.27Å; L725-F729 PolarHBondContact O-N 3.28Å |
| 726 | I | 77.7 | Confident | 73.5 | Confident | 3.33333 Ų | 3.33333 | 46.2 Ų | 46.2 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -47 | 175.9 | -54.8 | -179.8 | 0 | 0 | 0 | 110.2 | L709 I712 F713 V722 D723 A724 D728 F729 A730 | L709-I726 HydrophobicContact CD1-CG2 4.35Å; I712-I726 HydrophobicContact CB-CG1 4.48Å; I712-I726 HydrophobicContact CG2-CB 4.39Å; I712-I726 HydrophobicContact CG2-CD1 3.66Å; I712-I726 HydrophobicContact CG2-CG1 3.45Å; I712-I726 VanDerWaalsContact CG2-CG1 3.48Å; I712-I726 HydrophobicContact CG2-CG2 4.34Å; F713-I726 HydrophobicContact CD1-CG2 3.88Å; F713-I726 HydrophobicContact CE1-CG2 3.41Å; F713-I726 VanDerWaalsContact CE1-CG2 3.45Å; F713-I726 HydrophobicContact CE2-CG2 4.21Å; F713-I726 HydrophobicContact CG-CG2 4.42Å; F713-I726 HydrophobicContact CZ-CG2 3.6Å; F713-I726 VanDerWaalsContact CZ-CG2 3.48Å; V722-I726 HydrophobicContact CB-CD1 4.48Å; V722-I726 HydrophobicContact CG1-CD1 4.07Å; V722-I726 HydrophobicContact CG1-CG1 3.87Å; V722-I726 WeakPolarHBondContact O-CG1 3.43Å; V722-I726 PolarHBondContact O-N 3.28Å; D723-I726 PolarHBondContact O-N 3.28Å; A724-I726 PolarHBondContact O-N 3.24Å; I726-D728 PolarHBondContact O-N 3.1Å; I726-F729 PolarHBondContact O-N 3.22Å; I726-A730 VanDerWaalsContact O-CB 3.28Å; I726-A730 WeakPolarHBondContact O-CB 3.35Å; I726-A730 PolarHBondContact O-N 3.23Å |
| 727 | N | 78 | Confident | 74 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 10% | 0.096 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -47.4 | 178.7 | -78.5 | -54.9 | 0 | 0 | 0 | 111.4 | D723 A724 L725 A730 V731 G760 L761 T765 | D723-N727 WeakPolarHBondContact O-CB 3.47Å; D723-N727 PolarHBondContact O-N 3.16Å; D723-N727 PolarHBondContact O-ND2 2.94Å; D723-N727 PolarHBondContact O-OD1 3.03Å; A724-N727 WeakPolarHBondContact O-CB 3.49Å; A724-N727 PolarHBondContact O-N 3.03Å; L725-N727 VanDerWaalsContact C-N 3.34Å; N727-A730 PolarHBondContact O-N 2.91Å; N727-V731 VanDerWaalsContact O-CG2 3.3Å; N727-V731 WeakPolarHBondContact O-CG2 3.36Å; N727-V731 PolarHBondContact O-N 3.13Å; N727-V731 VanDerWaalsContact O-N 3.1Å; N727-G760 PolarHBondContact ND2-O 3.22Å; N727-G760 PolarHBondContact OD1-O 2.87Å; N727-G760 VanDerWaalsContact OD1-O 3.13Å; N727-L761 HydrophobicContact CB-CD2 4.43Å; N727-L761 WeakPolarHBondContact OD1-CA 3.42Å; N727-L761 WeakPolarHBondContact OD1-CD2 3.39Å; N727-T765 HydrophobicContact CB-CG2 4.37Å; N727-T765 PolarHBondContact OD1-OG1 3.09Å |
| 728 | D | 77.1 | Confident | 74.5 | Confident | 64.6667 Ų | 64.6667 | 39.7 Ų | 39.7 | 35% | 0.346 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 179.6 | -70.1 | -22.7 | 0 | 0 | 0 | 111.8 | L673 Y674 A724 L725 I726 V731 Y732 | L673-D728 WeakPolarHBondContact CD1-OD2 3.37Å; Y674-D728 HydrophobicContact CE1-CB 4.24Å; Y674-D728 HydrophobicContact CE2-CB 3.93Å; Y674-D728 PolarHBondContact OH-OD2 3.33Å; A724-D728 WeakPolarHBondContact O-CB 3.34Å; A724-D728 VanDerWaalsContact O-CG 3.29Å; A724-D728 PolarHBondContact O-N 3.14Å; L725-D728 PolarHBondContact O-N 3.37Å; I726-D728 PolarHBondContact O-N 3.1Å; D728-V731 PolarHBondContact O-N 3.28Å; D728-Y732 VanDerWaalsContact O-CB 3.3Å; D728-Y732 WeakPolarHBondContact O-CB 3.4Å; D728-Y732 PolarHBondContact O-N 3.07Å |
| 729 | F | 80.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.4 | -39.1 | 178.9 | -174.1 | -116.9 | 0 | 0 | 0 | 112.5 | C654 S657 L673 F708 L709 I712 L725 I726 V731 Y732 L733 | C654-F729 HydrophobicContact CB-CD2 4.21Å; S657-F729 WeakPolarHBondContact OG-CE2 3.34Å; S657-F729 VanDerWaalsContact OG-CZ 3.26Å; S657-F729 WeakPolarHBondContact OG-CZ 3.3Å; L673-F729 HydrophobicContact CD2-CD2 3.93Å; F708-F729 HydrophobicContact CD1-CD1 4.44Å; F708-F729 AromaticContact CD1-CE1 3.65Å; F708-F729 HydrophobicContact CD1-CE1 3.65Å; F708-F729 AromaticContact CD1-CZ 3.83Å; F708-F729 HydrophobicContact CD1-CZ 3.83Å; F708-F729 HydrophobicContact CE1-CD1 4.43Å; F708-F729 AromaticContact CE1-CE1 3.92Å; F708-F729 HydrophobicContact CE1-CE1 3.96Å; F708-F729 HydrophobicContact CE1-CZ 4.1Å; L709-F729 HydrophobicContact CB-CE1 4.27Å; L709-F729 HydrophobicContact CD1-CD1 3.8Å; L709-F729 HydrophobicContact CD1-CE1 4.29Å; I712-F729 HydrophobicContact CD1-CD1 4.2Å; I712-F729 HydrophobicContact CD1-CE1 4.43Å; L725-F729 VanDerWaalsContact O-CB 3.28Å; L725-F729 WeakPolarHBondContact O-CB 3.27Å; L725-F729 PolarHBondContact O-N 3.28Å; I726-F729 PolarHBondContact O-N 3.22Å; F729-V731 PolarHBondContact O-N 3.35Å; F729-Y732 HydrophobicContact CD2-CD1 4.27Å; F729-Y732 HydrophobicContact CE2-CD1 4.26Å; F729-Y732 WeakPolarHBondContact O-CB 3.31Å; F729-Y732 PolarHBondContact O-N 3.09Å; F729-L733 HydrophobicContact CD1-CD1 4.08Å; F729-L733 HydrophobicContact CD1-CG 4.42Å; F729-L733 HydrophobicContact CD2-CG 4.48Å; F729-L733 HydrophobicContact CE1-CD1 3.72Å; F729-L733 VanDerWaalsContact CE1-CD1 3.46Å; F729-L733 HydrophobicContact CE1-CD2 4.36Å; F729-L733 HydrophobicContact CE1-CG 4.07Å; F729-L733 HydrophobicContact CE2-CD1 4.23Å; F729-L733 HydrophobicContact CE2-CD2 4.16Å; F729-L733 HydrophobicContact CE2-CG 4.13Å; F729-L733 HydrophobicContact CZ-CD1 3.85Å; F729-L733 HydrophobicContact CZ-CD2 3.9Å; F729-L733 HydrophobicContact CZ-CG 3.87Å; F729-L733 WeakPolarHBondContact O-CB 3.28Å; F729-L733 WeakPolarHBondContact O-CG 3.36Å; F729-L733 PolarHBondContact O-N 3.14Å |
| 730 | A | 81.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L709 I726 N727 L733 A734 Y750 I754 L761 I769 | L709-A730 HydrophobicContact CD1-CB 4.2Å; I726-A730 VanDerWaalsContact O-CB 3.28Å; I726-A730 WeakPolarHBondContact O-CB 3.35Å; I726-A730 PolarHBondContact O-N 3.23Å; N727-A730 PolarHBondContact O-N 2.91Å; A730-L733 PolarHBondContact O-N 3.1Å; A730-A734 WeakPolarHBondContact O-CB 3.23Å; A730-A734 PolarHBondContact O-N 3.01Å; A730-A734 VanDerWaalsContact O-N 3.12Å; A730-Y750 PolarHBondContact O-OH 3.24Å; A730-I754 HydrophobicContact CB-CD1 4.27Å; A730-L761 HydrophobicContact CB-CD2 4.4Å; A730-I769 HydrophobicContact CB-CD1 3.75Å |
| 731 | V | 82 | Confident | 75.9 | Confident | 18.6667 Ų | 18.6667 | 35.7 Ų | 35.7 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 111 | N727 D728 F729 A734 S735 T765 K768 I769 | N727-V731 VanDerWaalsContact O-CG2 3.3Å; N727-V731 WeakPolarHBondContact O-CG2 3.36Å; N727-V731 PolarHBondContact O-N 3.13Å; N727-V731 VanDerWaalsContact O-N 3.1Å; D728-V731 PolarHBondContact O-N 3.28Å; F729-V731 PolarHBondContact O-N 3.35Å; V731-A734 WeakPolarHBondContact O-CB 3.28Å; V731-A734 PolarHBondContact O-N 3.3Å; V731-S735 PolarHBondContact O-N 3.22Å; V731-S735 PolarHBondContact O-OG 3.35Å; V731-T765 HydrophobicContact CG2-CG2 4.34Å; V731-K768 HydrophobicContact CG1-CD 3.74Å; V731-K768 HydrophobicContact CG1-CG 4.29Å; V731-K768 HydrophobicContact CG2-CD 4.48Å; V731-I769 HydrophobicContact CB-CG1 4.48Å; V731-I769 HydrophobicContact CG2-CD1 4.22Å; V731-I769 HydrophobicContact CG2-CG1 3.85Å |
| 732 | Y | 80 | Confident | 76.4 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 176.5 | 174.3 | -98.2 | 0 | 0 | 0 | 112.1 | A658 L661 C662 S672 L673 Y674 C675 D728 F729 A734 S735 H736 | A658-Y732 VanDerWaalsContact CA-CZ 3.49Å; A658-Y732 VanDerWaalsContact CA-OH 3.29Å; A658-Y732 WeakPolarHBondContact CA-OH 3.26Å; A658-Y732 HydrophobicContact CB-CD1 4.34Å; A658-Y732 HydrophobicContact CB-CE1 3.82Å; A658-Y732 HydrophobicContact CB-CE2 4.25Å; A658-Y732 PolarHBondContact O-OH 3.23Å; L661-Y732 HydrophobicContact CB-CE1 4.13Å; L661-Y732 VanDerWaalsContact CB-OH 3.29Å; L661-Y732 WeakPolarHBondContact CB-OH 2.95Å; L661-Y732 HydrophobicContact CD1-CE1 3.86Å; L661-Y732 HydrophobicContact CD2-CE1 3.87Å; C662-Y732 PolarHBondContact N-OH 3.07Å; C662-Y732 VanDerWaalsContact N-OH 3.15Å; C662-Y732 PolarHBondContact SG-OH 3.35Å; S672-Y732 VanDerWaalsContact O-CE2 3.24Å; S672-Y732 WeakPolarHBondContact O-CE2 3.48Å; S672-Y732 VanDerWaalsContact OG-CD2 3.27Å; S672-Y732 WeakPolarHBondContact OG-CD2 3.47Å; L673-Y732 HydrophobicContact CD2-CD1 4.49Å; L673-Y732 WeakPolarHBondContact O-CB 3.44Å; Y674-Y732 HydrophobicContact CD2-CD2 4.43Å; Y674-Y732 HydrophobicContact CD2-CG 4.42Å; C675-Y732 HydrophobicContact CB-CD2 4.24Å; C675-Y732 HydrophobicContact CB-CE2 4.15Å; D728-Y732 VanDerWaalsContact O-CB 3.3Å; D728-Y732 WeakPolarHBondContact O-CB 3.4Å; D728-Y732 PolarHBondContact O-N 3.07Å; F729-Y732 HydrophobicContact CD2-CD1 4.27Å; F729-Y732 HydrophobicContact CE2-CD1 4.26Å; F729-Y732 WeakPolarHBondContact O-CB 3.31Å; F729-Y732 PolarHBondContact O-N 3.09Å; Y732-A734 VanDerWaalsContact C-N 3.28Å; Y732-A734 PolarHBondContact O-N 3.31Å; Y732-S735 PolarHBondContact O-N 3.3Å; Y732-S735 VanDerWaalsContact O-N 3.15Å; Y732-S735 PolarHBondContact O-OG 3.24Å; Y732-S735 VanDerWaalsContact O-OG 3.13Å; Y732-H736 AromaticContact CD2-CD2 3.53Å; Y732-H736 WeakPolarHBondContact CD2-CD2 3.42Å; Y732-H736 AromaticContact CD2-NE2 3.86Å; Y732-H736 HydrophobicContact CE1-CB 4.42Å; Y732-H736 AromaticContact CE1-CD2 3.87Å; Y732-H736 HydrophobicContact CE2-CB 4.45Å; Y732-H736 AromaticContact CE2-CD2 3.33Å; Y732-H736 VanDerWaalsContact CE2-CD2 3.5Å; Y732-H736 WeakPolarHBondContact CE2-CD2 3.41Å; Y732-H736 AromaticContact CE2-CG 3.84Å; Y732-H736 AromaticContact CE2-NE2 3.3Å; Y732-H736 WeakPolarHBondContact CE2-NE2 3.3Å; Y732-H736 AromaticContact CG-CD2 3.89Å; Y732-H736 AromaticContact CZ-CD2 3.49Å; Y732-H736 AromaticContact CZ-NE2 3.41Å; Y732-H736 VanDerWaalsContact CZ-NE2 3.29Å; Y732-H736 WeakPolarHBondContact O-CB 3.43Å; Y732-H736 PolarHBondContact O-CD2 3.34Å; Y732-H736 VanDerWaalsContact O-CD2 3.27Å; Y732-H736 PolarHBondContact O-N 3.24Å; Y732-H736 PolarHBondContact OH-CD2 3.49Å; Y732-H736 PolarHBondContact OH-NE2 3.11Å |
| 733 | L | 80.4 | Confident | 76.8 | Confident | 4.66667 Ų | 4.66667 | 32.8 Ų | 32.8 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 176.8 | -98.9 | 170.2 | 0 | 0 | 0 | 111.4 | L661 Y705 L709 F729 A730 S735 H736 I737 Y750 | L661-L733 HydrophobicContact CD1-CD2 3.47Å; L661-L733 VanDerWaalsContact CD1-CD2 3.47Å; L661-L733 HydrophobicContact CD2-CD2 4.4Å; Y705-L733 HydrophobicContact CD1-CD2 4.23Å; L709-L733 HydrophobicContact CB-CD1 4.27Å; L709-L733 HydrophobicContact CD1-CD1 4.25Å; L709-L733 HydrophobicContact CD2-CD1 4.05Å; F729-L733 HydrophobicContact CD1-CD1 4.08Å; F729-L733 HydrophobicContact CD1-CG 4.42Å; F729-L733 HydrophobicContact CD2-CG 4.48Å; F729-L733 HydrophobicContact CE1-CD1 3.72Å; F729-L733 VanDerWaalsContact CE1-CD1 3.46Å; F729-L733 HydrophobicContact CE1-CD2 4.36Å; F729-L733 HydrophobicContact CE1-CG 4.07Å; F729-L733 HydrophobicContact CE2-CD1 4.23Å; F729-L733 HydrophobicContact CE2-CD2 4.16Å; F729-L733 HydrophobicContact CE2-CG 4.13Å; F729-L733 HydrophobicContact CZ-CD1 3.85Å; F729-L733 HydrophobicContact CZ-CD2 3.9Å; F729-L733 HydrophobicContact CZ-CG 3.87Å; F729-L733 WeakPolarHBondContact O-CB 3.28Å; F729-L733 WeakPolarHBondContact O-CG 3.36Å; F729-L733 PolarHBondContact O-N 3.14Å; A730-L733 PolarHBondContact O-N 3.1Å; L733-S735 VanDerWaalsContact C-N 3.29Å; L733-S735 PolarHBondContact O-N 3.3Å; L733-H736 PolarHBondContact O-N 3.3Å; L733-I737 HydrophobicContact CB-CD1 3.75Å; L733-I737 HydrophobicContact CB-CG1 4.31Å; L733-I737 HydrophobicContact CD2-CD1 3.76Å; L733-I737 HydrophobicContact CD2-CG1 3.99Å; L733-I737 HydrophobicContact CG-CD1 4.27Å; L733-I737 WeakPolarHBondContact O-CB 2.95Å; L733-I737 VanDerWaalsContact O-CG1 3.28Å; L733-I737 WeakPolarHBondContact O-CG1 3.35Å; L733-I737 PolarHBondContact O-N 3.2Å; L733-I737 VanDerWaalsContact O-N 3.09Å; L733-Y750 HydrophobicContact CB-CE2 4.48Å; L733-Y750 HydrophobicContact CD2-CD2 4.07Å; L733-Y750 HydrophobicContact CD2-CE2 3.55Å |
| 734 | A | 81.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.1 | -39.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A730 V731 Y732 H736 W739 I769 D772 T773 N776 | A730-A734 WeakPolarHBondContact O-CB 3.23Å; A730-A734 PolarHBondContact O-N 3.01Å; A730-A734 VanDerWaalsContact O-N 3.12Å; V731-A734 WeakPolarHBondContact O-CB 3.28Å; V731-A734 PolarHBondContact O-N 3.3Å; Y732-A734 VanDerWaalsContact C-N 3.28Å; Y732-A734 PolarHBondContact O-N 3.31Å; A734-H736 VanDerWaalsContact C-N 3.25Å; A734-H736 PolarHBondContact O-N 3.22Å; A734-W739 PolarHBondContact O-NE1 3.44Å; A734-I769 HydrophobicContact CB-CB 4.23Å; A734-I769 HydrophobicContact CB-CG1 4.28Å; A734-I769 HydrophobicContact CB-CG2 3.98Å; A734-D772 HydrophobicContact CB-CB 4.3Å; A734-T773 VanDerWaalsContact CA-CG2 3.5Å; A734-T773 HydrophobicContact CB-CG2 3.64Å; A734-N776 PolarHBondContact O-ND2 3.25Å |
| 735 | S | 77.7 | Confident | 77.5 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -76.3 | -19.6 | -179.7 | 67 | 0 | 0 | 0 | 0 | 114.1 | C675 V731 Y732 L733 N776 | C675-S735 PolarHBondContact O-OG 2.91Å; V731-S735 PolarHBondContact O-N 3.22Å; V731-S735 PolarHBondContact O-OG 3.35Å; Y732-S735 PolarHBondContact O-N 3.3Å; Y732-S735 VanDerWaalsContact O-N 3.15Å; Y732-S735 PolarHBondContact O-OG 3.24Å; Y732-S735 VanDerWaalsContact O-OG 3.13Å; L733-S735 VanDerWaalsContact C-N 3.29Å; L733-S735 PolarHBondContact O-N 3.3Å; S735-N776 PolarHBondContact O-ND2 3.43Å |
| 736 | H | 76.9 | Confident | 77.8 | Confident | 6.66667 Ų | 6.66667 | 34 Ų | 34 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -110.5 | -11.8 | -172.7 | -72.4 | -64.2 | 0 | 0 | 0 | 115.1 | L661 N665 C667 T669 Y732 L733 A734 R738 | L661-H736 HydrophobicContact CD2-CB 3.85Å; N665-H736 WeakPolarHBondContact ND2-CB 3.39Å; N665-H736 PolarHBondContact ND2-ND1 3.03Å; N665-H736 PolarHBondContact ND2-O 3.38Å; C667-H736 PolarHBondContact SG-CE1 3.07Å; C667-H736 VanDerWaalsContact SG-CE1 3.58Å; C667-H736 PolarHBondContact SG-ND1 3.48Å; T669-H736 PolarHBondContact OG1-CE1 3.49Å; Y732-H736 AromaticContact CD2-CD2 3.53Å; Y732-H736 WeakPolarHBondContact CD2-CD2 3.42Å; Y732-H736 AromaticContact CD2-NE2 3.86Å; Y732-H736 HydrophobicContact CE1-CB 4.42Å; Y732-H736 AromaticContact CE1-CD2 3.87Å; Y732-H736 HydrophobicContact CE2-CB 4.45Å; Y732-H736 AromaticContact CE2-CD2 3.33Å; Y732-H736 VanDerWaalsContact CE2-CD2 3.5Å; Y732-H736 WeakPolarHBondContact CE2-CD2 3.41Å; Y732-H736 AromaticContact CE2-CG 3.84Å; Y732-H736 AromaticContact CE2-NE2 3.3Å; Y732-H736 WeakPolarHBondContact CE2-NE2 3.3Å; Y732-H736 AromaticContact CG-CD2 3.89Å; Y732-H736 AromaticContact CZ-CD2 3.49Å; Y732-H736 AromaticContact CZ-NE2 3.41Å; Y732-H736 VanDerWaalsContact CZ-NE2 3.29Å; Y732-H736 WeakPolarHBondContact O-CB 3.43Å; Y732-H736 PolarHBondContact O-CD2 3.34Å; Y732-H736 VanDerWaalsContact O-CD2 3.27Å; Y732-H736 PolarHBondContact O-N 3.24Å; Y732-H736 PolarHBondContact OH-CD2 3.49Å; Y732-H736 PolarHBondContact OH-NE2 3.11Å; L733-H736 PolarHBondContact O-N 3.3Å; A734-H736 VanDerWaalsContact C-N 3.25Å; A734-H736 PolarHBondContact O-N 3.22Å; H736-R738 PolarHBondContact O-N 2.98Å |
| 737 | I | 78.7 | Confident | 78 | Confident | 4.66667 Ų | 4.66667 | 34 Ų | 34 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | trans | -67.3 | 128.1 | 176.5 | -71.8 | 168.7 | 0 | 0 | 0 | 110.7 | L661 L733 W739 M742 I747 Y750 T773 L777 | L661-I737 HydrophobicContact CD1-CG1 4.16Å; L661-I737 HydrophobicContact CD2-CG1 3.94Å; L733-I737 HydrophobicContact CB-CD1 3.75Å; L733-I737 HydrophobicContact CB-CG1 4.31Å; L733-I737 HydrophobicContact CD2-CD1 3.76Å; L733-I737 HydrophobicContact CD2-CG1 3.99Å; L733-I737 HydrophobicContact CG-CD1 4.27Å; L733-I737 WeakPolarHBondContact O-CB 2.95Å; L733-I737 VanDerWaalsContact O-CG1 3.28Å; L733-I737 WeakPolarHBondContact O-CG1 3.35Å; L733-I737 PolarHBondContact O-N 3.2Å; L733-I737 VanDerWaalsContact O-N 3.09Å; I737-W739 HydrophobicContact CB-CD2 4.45Å; I737-W739 HydrophobicContact CB-CZ2 4.05Å; I737-W739 HydrophobicContact CD1-CH2 4.13Å; I737-W739 HydrophobicContact CD1-CZ2 4.27Å; I737-W739 HydrophobicContact CG2-CD2 3.99Å; I737-W739 HydrophobicContact CG2-CE3 4.15Å; I737-W739 HydrophobicContact CG2-CG 4.41Å; I737-W739 HydrophobicContact CG2-CH2 4.47Å; I737-W739 HydrophobicContact CG2-CZ2 4.29Å; I737-W739 HydrophobicContact CG2-CZ3 4.4Å; I737-W739 PolarHBondContact O-N 2.93Å; I737-W739 PolarHBondContact O-NE1 3.29Å; I737-M742 HydrophobicContact CB-SD 4.37Å; I737-M742 HydrophobicContact CD1-SD 4.49Å; I737-M742 HydrophobicContact CG1-SD 3.93Å; I737-M742 HydrophobicContact CG2-SD 3.87Å; I737-I747 HydrophobicContact CG2-CG1 4.43Å; I737-Y750 HydrophobicContact CD1-CD1 3.6Å; I737-Y750 HydrophobicContact CD1-CD2 4.05Å; I737-Y750 HydrophobicContact CD1-CE1 3.42Å; I737-Y750 HydrophobicContact CD1-CE2 3.89Å; I737-Y750 HydrophobicContact CD1-CG 3.89Å; I737-Y750 VanDerWaalsContact CD1-CZ 3.5Å; I737-T773 HydrophobicContact CB-CG2 4.32Å; I737-T773 HydrophobicContact CD1-CG2 3.84Å; I737-L777 HydrophobicContact CG2-CD1 4.28Å; I737-L777 HydrophobicContact CG2-CD2 4.04Å; I737-L777 HydrophobicContact CG2-CG 4.35Å | ||
| 738 | R | 75.4 | Confident | 78.2 | Confident | 83 Ų | 83 | 37.8 Ų | 37.8 | 31% | 0.313 | 19% | 0.194 | S | C | . | . | trans | -122.1 | 134 | 174.2 | -67.9 | -177.6 | -178.5 | 170.1 | 4 | 110.8 | N665 H736 S740 F741 M742 | N665-R738 HydrophobicContact CB-CG 4.47Å; N665-R738 PolarHBondContact O-NH1 2.92Å; N665-R738 PolarHBondContact O-NH2 2.95Å; N665-R738 VanDerWaalsContact OD1-CD 3.27Å; N665-R738 WeakPolarHBondContact OD1-CD 3.38Å; N665-R738 WeakPolarHBondContact OD1-CG 3.16Å; N665-R738 PolarHBondContact OD1-NE 2.91Å; N665-R738 PolarHBondContact OD1-NH1 3.09Å; N665-R738 VanDerWaalsContact OD1-NH1 3.11Å; H736-R738 PolarHBondContact O-N 2.98Å; R738-S740 PolarHBondContact O-N 3.43Å; R738-F741 HydrophobicContact CB-CD2 4.25Å; R738-F741 HydrophobicContact CB-CE2 4.47Å; R738-F741 PolarHBondContact O-N 3.13Å; R738-M742 PolarHBondContact O-N 3.19Å | ||
| 739 | W | 74.5 | Confident | 78.5 | Confident | 34 Ų | 34 | 38.3 Ų | 38.3 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.7 | 178.5 | -61.6 | 109.8 | 0 | 0 | 0 | 114.6 | A734 I737 F741 M742 T744 I747 Y750 T773 L777 T780 N781 S784 W785 V788 | A734-W739 PolarHBondContact O-NE1 3.44Å; I737-W739 HydrophobicContact CB-CD2 4.45Å; I737-W739 HydrophobicContact CB-CZ2 4.05Å; I737-W739 HydrophobicContact CD1-CH2 4.13Å; I737-W739 HydrophobicContact CD1-CZ2 4.27Å; I737-W739 HydrophobicContact CG2-CD2 3.99Å; I737-W739 HydrophobicContact CG2-CE3 4.15Å; I737-W739 HydrophobicContact CG2-CG 4.41Å; I737-W739 HydrophobicContact CG2-CH2 4.47Å; I737-W739 HydrophobicContact CG2-CZ2 4.29Å; I737-W739 HydrophobicContact CG2-CZ3 4.4Å; I737-W739 PolarHBondContact O-N 2.93Å; I737-W739 PolarHBondContact O-NE1 3.29Å; W739-F741 VanDerWaalsContact C-N 3.26Å; W739-F741 PolarHBondContact O-N 3.21Å; W739-M742 HydrophobicContact CE3-SD 3.74Å; W739-M742 HydrophobicContact CZ3-SD 3.79Å; W739-M742 PolarHBondContact O-N 3.02Å; W739-M742 VanDerWaalsContact O-O 3.14Å; W739-T744 HydrophobicContact CH2-CG2 4.34Å; W739-T744 HydrophobicContact CZ3-CG2 3.73Å; W739-I747 HydrophobicContact CD2-CD1 4.19Å; W739-I747 HydrophobicContact CE3-CD1 3.45Å; W739-I747 VanDerWaalsContact CE3-CD1 3.45Å; W739-I747 HydrophobicContact CE3-CG1 4.17Å; W739-I747 HydrophobicContact CH2-CD1 3.88Å; W739-I747 HydrophobicContact CZ3-CD1 3.29Å; W739-Y750 AromaticContact CH2-CD1 3.58Å; W739-Y750 HydrophobicContact CH2-CD1 3.58Å; W739-Y750 HydrophobicContact CH2-CD2 4.07Å; W739-Y750 AromaticContact CH2-CE1 3.59Å; W739-Y750 HydrophobicContact CH2-CE1 3.59Å; W739-Y750 HydrophobicContact CH2-CE2 4.07Å; W739-Y750 AromaticContact CH2-CG 3.81Å; W739-Y750 HydrophobicContact CH2-CG 3.81Å; W739-Y750 AromaticContact CH2-CZ 3.82Å; W739-Y750 HydrophobicContact CZ2-CD1 4.48Å; W739-Y750 HydrophobicContact CZ2-CE1 4.12Å; W739-Y750 HydrophobicContact CZ3-CD1 4.06Å; W739-Y750 HydrophobicContact CZ3-CE1 4.49Å; W739-Y750 HydrophobicContact CZ3-CG 4.13Å; W739-T773 HydrophobicContact CH2-CG2 4.07Å; W739-T773 HydrophobicContact CZ2-CG2 3.36Å; W739-L777 HydrophobicContact CB-CD2 3.43Å; W739-L777 VanDerWaalsContact CB-CD2 3.43Å; W739-L777 HydrophobicContact CB-CG 3.84Å; W739-L777 HydrophobicContact CD2-CD2 3.84Å; W739-L777 HydrophobicContact CE3-CD2 4.42Å; W739-L777 HydrophobicContact CG-CD2 4.11Å; W739-L777 HydrophobicContact CG-CG 3.99Å; W739-L777 HydrophobicContact CZ2-CB 3.95Å; W739-L777 HydrophobicContact CZ2-CD2 4.02Å; W739-L777 HydrophobicContact CZ2-CG 4.41Å; W739-L777 PolarHBondContact NE1-O 3.38Å; W739-T780 PolarHBondContact NE1-OG1 3.39Å; W739-N781 HydrophobicContact CG-CB 4.44Å; W739-S784 VanDerWaalsContact CE2-OG 3.23Å; W739-S784 WeakPolarHBondContact CH2-OG 3.34Å; W739-S784 WeakPolarHBondContact CZ2-OG 3.36Å; W739-W785 HydrophobicContact CZ2-CB 4.14Å; W739-V788 HydrophobicContact CH2-CG2 3.97Å |
| 740 | S | 69.8 | Low | 78.7 | Confident | 83 Ų | 83 | 38.3 Ų | 38.3 | 58% | 0.58 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -25.5 | 179.5 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | R738 | R738-S740 PolarHBondContact O-N 3.43Š|
| 741 | F | 67.5 | Low | 78.8 | Confident | 98.3333 Ų | 98.3333 | 38.5 Ų | 38.5 | 43% | 0.431 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -3.7 | -174.6 | -58.8 | -68.6 | 0 | 0 | 0 | 113.4 | V664 N665 L702 R738 W739 | V664-F741 HydrophobicContact CG1-CE1 3.97Å; V664-F741 HydrophobicContact CG1-CE2 4.09Å; V664-F741 HydrophobicContact CG1-CZ 3.69Å; V664-F741 VanDerWaalsContact CG1-CZ 3.43Å; N665-F741 WeakPolarHBondContact OD1-CE2 3.41Å; L702-F741 HydrophobicContact CB-CB 4.19Å; L702-F741 HydrophobicContact CD1-CB 3.56Å; L702-F741 HydrophobicContact CD1-CD2 4.08Å; L702-F741 HydrophobicContact CD1-CG 4.05Å; L702-F741 HydrophobicContact CG-CB 3.67Å; L702-F741 HydrophobicContact CG-CD2 4.44Å; L702-F741 HydrophobicContact CG-CG 4.34Å; R738-F741 HydrophobicContact CB-CD2 4.25Å; R738-F741 HydrophobicContact CB-CE2 4.47Å; R738-F741 PolarHBondContact O-N 3.13Å; W739-F741 VanDerWaalsContact C-N 3.26Å; W739-F741 PolarHBondContact O-N 3.21Å |
| 742 | M | 74.8 | Confident | 78.9 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | trans | -124.1 | 139.8 | -176.1 | -64.6 | -167 | 68.9 | 0 | 0 | 111.9 | L702 I706 I737 R738 W739 Q746 I747 | L702-M742 HydrophobicContact CB-CG 4.03Å; L702-M742 HydrophobicContact CB-SD 4.27Å; L702-M742 HydrophobicContact CD1-CG 4.11Å; L702-M742 HydrophobicContact CD1-SD 4.28Å; L702-M742 HydrophobicContact CG-CG 4.42Å; I706-M742 HydrophobicContact CD1-CE 3.22Å; I706-M742 HydrophobicContact CD1-SD 4.24Å; I706-M742 HydrophobicContact CG1-CE 4.3Å; I737-M742 HydrophobicContact CB-SD 4.37Å; I737-M742 HydrophobicContact CD1-SD 4.49Å; I737-M742 HydrophobicContact CG1-SD 3.93Å; I737-M742 HydrophobicContact CG2-SD 3.87Å; R738-M742 PolarHBondContact O-N 3.19Å; W739-M742 HydrophobicContact CE3-SD 3.74Å; W739-M742 HydrophobicContact CZ3-SD 3.79Å; W739-M742 PolarHBondContact O-N 3.02Å; W739-M742 VanDerWaalsContact O-O 3.14Å; M742-Q746 HydrophobicContact CB-CB 4.46Å; M742-Q746 VanDerWaalsContact CE-C 3.45Å; M742-Q746 HydrophobicContact CE-CB 3.65Å; M742-Q746 HydrophobicContact CE-CG 4.5Å; M742-Q746 WeakPolarHBondContact CE-O 3.31Å; M742-I747 HydrophobicContact CB-CD1 4.18Å; M742-I747 HydrophobicContact CB-CG1 3.9Å; M742-I747 HydrophobicContact CE-CB 4.45Å; M742-I747 HydrophobicContact CE-CG1 3.78Å; M742-I747 HydrophobicContact SD-CG1 4.13Å | ||
| 743 | S | 78.2 | Confident | 79.1 | Confident | 54 Ų | 54 | 39.7 Ų | 39.7 | 38% | 0.378 | 20% | 0.204 | S | C | . | . | trans | -76 | 161 | 170.1 | 70.8 | 0 | 0 | 0 | 0 | 111.6 | D745 Q746 I747 | S743-D745 VanDerWaalsContact C-N 3.27Å; S743-D745 PolarHBondContact O-N 3.41Å; S743-Q746 VanDerWaalsContact N-OE1 3.11Å; S743-Q746 PolarHBondContact O-N 3.19Å; S743-Q746 VanDerWaalsContact O-N 3.1Å; S743-Q746 VanDerWaalsContact OG-CD 3.28Å; S743-Q746 VanDerWaalsContact OG-CG 3.27Å; S743-Q746 WeakPolarHBondContact OG-CG 3.31Å; S743-Q746 PolarHBondContact OG-N 3.29Å; S743-Q746 PolarHBondContact OG-OE1 3.34Å; S743-Q746 VanDerWaalsContact OG-OE1 3.09Å; S743-I747 WeakPolarHBondContact O-CG1 3.39Å; S743-I747 PolarHBondContact O-N 3.46Å; S743-I747 VanDerWaalsContact O-N 3.11Å | ||
| 744 | T | 78.8 | Confident | 79.3 | Confident | 55.3333 Ų | 55.3333 | 39.4 Ų | 39.4 | 34% | 0.339 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.4 | -36.3 | 175.5 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | W739 I747 R748 | W739-T744 HydrophobicContact CH2-CG2 4.34Å; W739-T744 HydrophobicContact CZ3-CG2 3.73Å; T744-I747 PolarHBondContact O-N 2.9Å; T744-R748 WeakPolarHBondContact O-CB 3.49Å; T744-R748 WeakPolarHBondContact O-CG 3.47Å; T744-R748 PolarHBondContact O-N 3.1Å; T744-R748 VanDerWaalsContact O-N 3.1Å |
| 745 | D | 80.3 | Confident | 79.3 | Confident | 96.3333 Ų | 96.3333 | 39.9 Ų | 39.9 | 52% | 0.515 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -72.9 | -37.5 | 179.3 | -64.9 | -30.2 | 0 | 0 | 0 | 111.9 | S743 I747 R748 I749 | S743-D745 VanDerWaalsContact C-N 3.27Å; S743-D745 PolarHBondContact O-N 3.41Å; D745-I747 VanDerWaalsContact C-N 3.34Å; D745-I747 PolarHBondContact O-N 2.99Å; D745-R748 WeakPolarHBondContact O-CB 3.31Å; D745-R748 PolarHBondContact O-N 2.9Å; D745-R748 IonicContact OD1-CZ 3.9Å; D745-R748 IonicContact OD1-NH1 3.84Å; D745-R748 PolarHBondContact OD1-NH1 3.3Å; D745-I749 VanDerWaalsContact O-CG1 3.3Å; D745-I749 WeakPolarHBondContact O-CG1 3.35Å; D745-I749 PolarHBondContact O-N 3.02Å |
| 746 | Q | 81.4 | Confident | 79.4 | Confident | 48 Ų | 48 | 45.9 Ų | 45.9 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 174.9 | -70.3 | 171.9 | -24.5 | 0 | 0 | 112.1 | F703 M742 S743 R748 I749 Y750 | F703-Q746 HydrophobicContact CD2-CB 4.17Å; F703-Q746 HydrophobicContact CD2-CG 3.72Å; F703-Q746 HydrophobicContact CE2-CG 4.23Å; F703-Q746 HydrophobicContact CG-CG 4.43Å; M742-Q746 HydrophobicContact CB-CB 4.46Å; M742-Q746 VanDerWaalsContact CE-C 3.45Å; M742-Q746 HydrophobicContact CE-CB 3.65Å; M742-Q746 HydrophobicContact CE-CG 4.5Å; M742-Q746 WeakPolarHBondContact CE-O 3.31Å; S743-Q746 VanDerWaalsContact N-OE1 3.11Å; S743-Q746 PolarHBondContact O-N 3.19Å; S743-Q746 VanDerWaalsContact O-N 3.1Å; S743-Q746 VanDerWaalsContact OG-CD 3.28Å; S743-Q746 VanDerWaalsContact OG-CG 3.27Å; S743-Q746 WeakPolarHBondContact OG-CG 3.31Å; S743-Q746 PolarHBondContact OG-N 3.29Å; S743-Q746 PolarHBondContact OG-OE1 3.34Å; S743-Q746 VanDerWaalsContact OG-OE1 3.09Å; Q746-R748 VanDerWaalsContact C-N 3.31Å; Q746-R748 PolarHBondContact O-N 3.4Å; Q746-I749 PolarHBondContact O-N 3.25Å; Q746-Y750 PolarHBondContact O-N 3.24Å; Q746-Y750 VanDerWaalsContact O-N 3.08Å |
| 747 | I | 82.2 | Confident | 79.5 | Confident | 1.66667 Ų | 1.66667 | 47.5 Ų | 47.5 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -39.4 | 174.5 | -67 | 163.4 | 0 | 0 | 0 | 110.2 | I737 W739 M742 S743 T744 D745 I749 Y750 F751 L777 V788 | I737-I747 HydrophobicContact CG2-CG1 4.43Å; W739-I747 HydrophobicContact CD2-CD1 4.19Å; W739-I747 HydrophobicContact CE3-CD1 3.45Å; W739-I747 VanDerWaalsContact CE3-CD1 3.45Å; W739-I747 HydrophobicContact CE3-CG1 4.17Å; W739-I747 HydrophobicContact CH2-CD1 3.88Å; W739-I747 HydrophobicContact CZ3-CD1 3.29Å; M742-I747 HydrophobicContact CB-CD1 4.18Å; M742-I747 HydrophobicContact CB-CG1 3.9Å; M742-I747 HydrophobicContact CE-CB 4.45Å; M742-I747 HydrophobicContact CE-CG1 3.78Å; M742-I747 HydrophobicContact SD-CG1 4.13Å; S743-I747 WeakPolarHBondContact O-CG1 3.39Å; S743-I747 PolarHBondContact O-N 3.46Å; S743-I747 VanDerWaalsContact O-N 3.11Å; T744-I747 PolarHBondContact O-N 2.9Å; D745-I747 VanDerWaalsContact C-N 3.34Å; D745-I747 PolarHBondContact O-N 2.99Å; I747-I749 VanDerWaalsContact C-N 3.35Å; I747-I749 PolarHBondContact O-N 2.99Å; I747-Y750 WeakPolarHBondContact O-CB 3.36Å; I747-Y750 PolarHBondContact O-N 3.2Å; I747-F751 HydrophobicContact CG2-CD2 3.81Å; I747-F751 HydrophobicContact CG2-CE2 3.55Å; I747-F751 VanDerWaalsContact O-CD2 3.24Å; I747-F751 WeakPolarHBondContact O-CD2 3.38Å; I747-F751 PolarHBondContact O-N 3.05Å; I747-F751 VanDerWaalsContact O-N 3.1Å; I747-L777 HydrophobicContact CD1-CD1 4.13Å; I747-L777 HydrophobicContact CD1-CD2 3.71Å; I747-L777 HydrophobicContact CG1-CD2 4.43Å; I747-L777 HydrophobicContact CG2-CD1 3.8Å; I747-V788 HydrophobicContact CB-CG2 4.49Å; I747-V788 HydrophobicContact CG2-CG1 3.96Å; I747-V788 HydrophobicContact CG2-CG2 4.17Å |
| 748 | R | 81.7 | Confident | 79.5 | Confident | 98.6667 Ų | 98.6667 | 47.9 Ų | 47.9 | 37% | 0.372 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 173.7 | -103 | 174.4 | 174.3 | 172.8 | -1.3 | 111.6 | T744 D745 Q746 Y750 F751 T752 V788 S791 | T744-R748 WeakPolarHBondContact O-CB 3.49Å; T744-R748 WeakPolarHBondContact O-CG 3.47Å; T744-R748 PolarHBondContact O-N 3.1Å; T744-R748 VanDerWaalsContact O-N 3.1Å; D745-R748 WeakPolarHBondContact O-CB 3.31Å; D745-R748 PolarHBondContact O-N 2.9Å; D745-R748 IonicContact OD1-CZ 3.9Å; D745-R748 IonicContact OD1-NH1 3.84Å; D745-R748 PolarHBondContact OD1-NH1 3.3Å; Q746-R748 VanDerWaalsContact C-N 3.31Å; Q746-R748 PolarHBondContact O-N 3.4Å; R748-Y750 VanDerWaalsContact C-N 3.29Å; R748-Y750 PolarHBondContact O-N 3.02Å; R748-F751 PolarHBondContact O-N 3.34Å; R748-T752 HydrophobicContact CG-CG2 4.46Å; R748-T752 WeakPolarHBondContact O-CG2 3.38Å; R748-T752 PolarHBondContact O-N 3.2Å; R748-T752 PolarHBondContact O-OG1 2.99Å; R748-V788 HydrophobicContact CG-CG1 4.45Å; R748-V788 HydrophobicContact CG-CG2 4.47Å; R748-S791 PolarHBondContact NE-OG 3.22Å; R748-S791 PolarHBondContact NH2-OG 2.66Å |
| 749 | I | 83 | Confident | 79.3 | Confident | 74.6667 Ų | 74.6667 | 49.8 Ų | 49.8 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 177.3 | -67.4 | 164.3 | 0 | 0 | 0 | 111.2 | F703 I706 D745 Q746 I747 T752 L753 | F703-I749 HydrophobicContact CE2-CD1 4.12Å; F703-I749 HydrophobicContact CE2-CG2 4.45Å; F703-I749 HydrophobicContact CZ-CD1 4.39Å; I706-I749 HydrophobicContact CG2-CG2 4.36Å; D745-I749 VanDerWaalsContact O-CG1 3.3Å; D745-I749 WeakPolarHBondContact O-CG1 3.35Å; D745-I749 PolarHBondContact O-N 3.02Å; Q746-I749 PolarHBondContact O-N 3.25Å; I747-I749 VanDerWaalsContact C-N 3.35Å; I747-I749 PolarHBondContact O-N 2.99Å; I749-T752 VanDerWaalsContact CA-OG1 3.29Å; I749-T752 WeakPolarHBondContact CA-OG1 3.34Å; I749-T752 PolarHBondContact O-N 3.14Å; I749-T752 PolarHBondContact O-OG1 3.21Å; I749-L753 VanDerWaalsContact O-CB 3.23Å; I749-L753 WeakPolarHBondContact O-CB 3.47Å; I749-L753 PolarHBondContact O-N 3.1Å |
| 750 | Y | 85.2 | Confident | 79.1 | Confident | 0.666667 Ų | 0.666667 | 49.6 Ų | 49.6 | 0% | 0.003 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 175.7 | 175.5 | -103.9 | 0 | 0 | 0 | 112.1 | I706 L709 A730 L733 I737 W739 Q746 I747 R748 T752 L753 I754 I769 T773 | I706-Y750 HydrophobicContact CD1-CD2 4.4Å; I706-Y750 HydrophobicContact CG1-CD2 4.18Å; L709-Y750 HydrophobicContact CD2-CD2 4.38Å; L709-Y750 HydrophobicContact CD2-CE2 3.94Å; A730-Y750 PolarHBondContact O-OH 3.24Å; L733-Y750 HydrophobicContact CB-CE2 4.48Å; L733-Y750 HydrophobicContact CD2-CD2 4.07Å; L733-Y750 HydrophobicContact CD2-CE2 3.55Å; I737-Y750 HydrophobicContact CD1-CD1 3.6Å; I737-Y750 HydrophobicContact CD1-CD2 4.05Å; I737-Y750 HydrophobicContact CD1-CE1 3.42Å; I737-Y750 HydrophobicContact CD1-CE2 3.89Å; I737-Y750 HydrophobicContact CD1-CG 3.89Å; I737-Y750 VanDerWaalsContact CD1-CZ 3.5Å; W739-Y750 AromaticContact CH2-CD1 3.58Å; W739-Y750 HydrophobicContact CH2-CD1 3.58Å; W739-Y750 HydrophobicContact CH2-CD2 4.07Å; W739-Y750 AromaticContact CH2-CE1 3.59Å; W739-Y750 HydrophobicContact CH2-CE1 3.59Å; W739-Y750 HydrophobicContact CH2-CE2 4.07Å; W739-Y750 AromaticContact CH2-CG 3.81Å; W739-Y750 HydrophobicContact CH2-CG 3.81Å; W739-Y750 AromaticContact CH2-CZ 3.82Å; W739-Y750 HydrophobicContact CZ2-CD1 4.48Å; W739-Y750 HydrophobicContact CZ2-CE1 4.12Å; W739-Y750 HydrophobicContact CZ3-CD1 4.06Å; W739-Y750 HydrophobicContact CZ3-CE1 4.49Å; W739-Y750 HydrophobicContact CZ3-CG 4.13Å; Q746-Y750 PolarHBondContact O-N 3.24Å; Q746-Y750 VanDerWaalsContact O-N 3.08Å; I747-Y750 WeakPolarHBondContact O-CB 3.36Å; I747-Y750 PolarHBondContact O-N 3.2Å; R748-Y750 VanDerWaalsContact C-N 3.29Å; R748-Y750 PolarHBondContact O-N 3.02Å; Y750-T752 PolarHBondContact O-N 3.21Å; Y750-L753 PolarHBondContact O-N 3.27Å; Y750-I754 HydrophobicContact CD1-CD1 3.78Å; Y750-I754 HydrophobicContact CD2-CD1 4.32Å; Y750-I754 HydrophobicContact CE1-CD1 3.25Å; Y750-I754 HydrophobicContact CE1-CG1 4.33Å; Y750-I754 HydrophobicContact CE2-CD1 4.04Å; Y750-I754 HydrophobicContact CE2-CG1 4.35Å; Y750-I754 HydrophobicContact CG-CD1 4.3Å; Y750-I754 WeakPolarHBondContact O-CG1 3.5Å; Y750-I754 PolarHBondContact O-N 3.19Å; Y750-I754 VanDerWaalsContact O-N 3.13Å; Y750-I769 HydrophobicContact CE1-CG2 4.21Å; Y750-I769 WeakPolarHBondContact OH-CG2 3.42Å; Y750-T773 HydrophobicContact CE1-CG2 3.68Å |
| 751 | F | 85.3 | Confident | 79.5 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 178.3 | -75.4 | -64.7 | 0 | 0 | 0 | 112.4 | I747 R748 L753 I754 M755 F770 T773 L777 W785 V788 I792 | I747-F751 HydrophobicContact CG2-CD2 3.81Å; I747-F751 HydrophobicContact CG2-CE2 3.55Å; I747-F751 VanDerWaalsContact O-CD2 3.24Å; I747-F751 WeakPolarHBondContact O-CD2 3.38Å; I747-F751 PolarHBondContact O-N 3.05Å; I747-F751 VanDerWaalsContact O-N 3.1Å; R748-F751 PolarHBondContact O-N 3.34Å; F751-L753 VanDerWaalsContact C-N 3.31Å; F751-L753 PolarHBondContact O-N 3.17Å; F751-I754 PolarHBondContact O-N 2.97Å; F751-M755 WeakPolarHBondContact O-CB 3.4Å; F751-M755 VanDerWaalsContact O-CG 3.23Å; F751-M755 WeakPolarHBondContact O-CG 3.32Å; F751-M755 PolarHBondContact O-N 3.08Å; F751-F770 AromaticContact CD1-CD1 3.86Å; F751-F770 HydrophobicContact CD1-CD1 3.86Å; F751-F770 AromaticContact CD1-CE1 3.37Å; F751-F770 HydrophobicContact CD1-CE1 3.37Å; F751-F770 HydrophobicContact CD1-CE2 4.38Å; F751-F770 AromaticContact CD1-CZ 3.68Å; F751-F770 HydrophobicContact CD1-CZ 3.68Å; F751-F770 AromaticContact CE1-CD1 3.62Å; F751-F770 HydrophobicContact CE1-CD1 3.62Å; F751-F770 AromaticContact CE1-CE1 3.66Å; F751-F770 HydrophobicContact CE1-CE1 3.66Å; F751-F770 HydrophobicContact CE1-CG 4.21Å; F751-F770 HydrophobicContact CE1-CZ 4.27Å; F751-F770 HydrophobicContact CG-CE1 4.36Å; F751-T773 WeakPolarHBondContact CE1-OG1 3.14Å; F751-T773 HydrophobicContact CZ-CG2 4.49Å; F751-T773 VanDerWaalsContact CZ-OG1 3.31Å; F751-T773 WeakPolarHBondContact CZ-OG1 3.29Å; F751-L777 HydrophobicContact CE2-CD1 4.37Å; F751-L777 HydrophobicContact CZ-CD1 4.36Å; F751-W785 HydrophobicContact CE2-CH2 4.27Å; F751-W785 AromaticContact CE2-CZ3 3.87Å; F751-W785 HydrophobicContact CE2-CZ3 3.87Å; F751-W785 HydrophobicContact CZ-CH2 4.02Å; F751-W785 AromaticContact CZ-CZ3 3.98Å; F751-W785 HydrophobicContact CZ-CZ3 3.99Å; F751-V788 HydrophobicContact CD2-CG1 4.12Å; F751-V788 HydrophobicContact CE2-CG1 4.1Å; F751-I792 HydrophobicContact CB-CD1 4.21Å; F751-I792 HydrophobicContact CB-CG1 4.26Å; F751-I792 HydrophobicContact CD1-CD1 4.12Å; F751-I792 HydrophobicContact CD2-CD1 3.53Å; F751-I792 VanDerWaalsContact CD2-CD1 3.47Å; F751-I792 HydrophobicContact CD2-CG1 4.32Å; F751-I792 HydrophobicContact CE1-CD1 4.36Å; F751-I792 HydrophobicContact CE2-CD1 3.81Å; F751-I792 HydrophobicContact CG-CD1 3.69Å; F751-I792 HydrophobicContact CG-CG1 4.28Å; F751-I792 HydrophobicContact CZ-CD1 4.21Å |
| 752 | T | 83.8 | Confident | 80.1 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 24% | 0.239 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -40 | 176.4 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | R748 I749 Y750 I754 M755 E756 L795 | R748-T752 HydrophobicContact CG-CG2 4.46Å; R748-T752 WeakPolarHBondContact O-CG2 3.38Å; R748-T752 PolarHBondContact O-N 3.2Å; R748-T752 PolarHBondContact O-OG1 2.99Å; I749-T752 VanDerWaalsContact CA-OG1 3.29Å; I749-T752 WeakPolarHBondContact CA-OG1 3.34Å; I749-T752 PolarHBondContact O-N 3.14Å; I749-T752 PolarHBondContact O-OG1 3.21Å; Y750-T752 PolarHBondContact O-N 3.21Å; T752-I754 VanDerWaalsContact C-N 3.34Å; T752-I754 PolarHBondContact O-N 3.14Å; T752-M755 WeakPolarHBondContact O-CB 3.43Å; T752-M755 PolarHBondContact O-N 3.07Å; T752-M755 VanDerWaalsContact O-N 3.16Å; T752-E756 WeakPolarHBondContact O-CG 3.37Å; T752-E756 PolarHBondContact O-N 2.92Å; T752-L795 HydrophobicContact CG2-CD1 3.94Å; T752-L795 HydrophobicContact CG2-CD2 4.25Å |
| 753 | L | 83.7 | Confident | 80.4 | Confident | 10 Ų | 10 | 44.7 Ų | 44.7 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.1 | 177 | 153.2 | 0 | 0 | 0 | 112.6 | I706 L709 S710 F713 I749 Y750 F751 N757 | I706-L753 HydrophobicContact CG2-CD1 4.12Å; L709-L753 HydrophobicContact CD2-CD2 3.58Å; L709-L753 VanDerWaalsContact CD2-CD2 3.41Å; L709-L753 HydrophobicContact CG-CD2 3.95Å; S710-L753 VanDerWaalsContact CB-CD1 3.43Å; F713-L753 HydrophobicContact CD2-CD2 3.65Å; F713-L753 VanDerWaalsContact CD2-CD2 3.44Å; F713-L753 HydrophobicContact CD2-CG 4.4Å; F713-L753 HydrophobicContact CE2-CD2 3.55Å; F713-L753 VanDerWaalsContact CE2-CD2 3.43Å; I749-L753 VanDerWaalsContact O-CB 3.23Å; I749-L753 WeakPolarHBondContact O-CB 3.47Å; I749-L753 PolarHBondContact O-N 3.1Å; Y750-L753 PolarHBondContact O-N 3.27Å; F751-L753 VanDerWaalsContact C-N 3.31Å; F751-L753 PolarHBondContact O-N 3.17Å; L753-N757 PolarHBondContact O-N 3.24Å; L753-N757 PolarHBondContact O-ND2 3.24Å |
| 754 | I | 84.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 173 | -65.8 | -171.1 | 0 | 0 | 0 | 110.9 | L709 F713 A730 Y750 F751 T752 E756 N757 L758 L761 I769 F770 | L709-I754 HydrophobicContact CD2-CD1 4.12Å; F713-I754 HydrophobicContact CE2-CD1 4.27Å; F713-I754 HydrophobicContact CZ-CD1 4.38Å; A730-I754 HydrophobicContact CB-CD1 4.27Å; Y750-I754 HydrophobicContact CD1-CD1 3.78Å; Y750-I754 HydrophobicContact CD2-CD1 4.32Å; Y750-I754 HydrophobicContact CE1-CD1 3.25Å; Y750-I754 HydrophobicContact CE1-CG1 4.33Å; Y750-I754 HydrophobicContact CE2-CD1 4.04Å; Y750-I754 HydrophobicContact CE2-CG1 4.35Å; Y750-I754 HydrophobicContact CG-CD1 4.3Å; Y750-I754 WeakPolarHBondContact O-CG1 3.5Å; Y750-I754 PolarHBondContact O-N 3.19Å; Y750-I754 VanDerWaalsContact O-N 3.13Å; F751-I754 PolarHBondContact O-N 2.97Å; T752-I754 VanDerWaalsContact C-N 3.34Å; T752-I754 PolarHBondContact O-N 3.14Å; I754-E756 VanDerWaalsContact C-N 3.34Å; I754-E756 PolarHBondContact O-N 3.06Å; I754-N757 CarbonylContact O-C 3.38Å; I754-N757 PolarHBondContact O-N 3.09Å; I754-L758 PolarHBondContact O-N 3.11Å; I754-L761 HydrophobicContact CD1-CD1 4.35Å; I754-L761 HydrophobicContact CG2-CD1 3.94Å; I754-I769 HydrophobicContact CD1-CD1 4.42Å; I754-I769 HydrophobicContact CD1-CG2 3.5Å; I754-I769 VanDerWaalsContact CD1-CG2 3.47Å; I754-I769 HydrophobicContact CG1-CG2 4.42Å; I754-F770 HydrophobicContact CG2-CE2 3.9Å |
| 755 | M | 81.7 | Confident | 80.6 | Confident | 9.66667 Ų | 9.66667 | 44.7 Ų | 44.7 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -34.6 | 179.2 | -73.3 | -61.5 | -58.1 | 0 | 0 | 113.2 | F751 T752 N757 L758 F770 L795 L796 Q799 I819 | F751-M755 WeakPolarHBondContact O-CB 3.4Å; F751-M755 VanDerWaalsContact O-CG 3.23Å; F751-M755 WeakPolarHBondContact O-CG 3.32Å; F751-M755 PolarHBondContact O-N 3.08Å; T752-M755 WeakPolarHBondContact O-CB 3.43Å; T752-M755 PolarHBondContact O-N 3.07Å; T752-M755 VanDerWaalsContact O-N 3.16Å; M755-N757 VanDerWaalsContact C-N 3.31Å; M755-L758 HydrophobicContact CE-CD1 4Å; M755-L758 WeakPolarHBondContact O-CG 3.45Å; M755-L758 HydrophobicContact SD-CD1 4.32Å; M755-L758 HydrophobicContact SD-CD2 4.46Å; M755-F770 HydrophobicContact CG-CZ 4.28Å; M755-F770 HydrophobicContact SD-CE2 4.45Å; M755-F770 HydrophobicContact SD-CZ 3.95Å; M755-L795 HydrophobicContact CB-CD2 4.06Å; M755-L795 HydrophobicContact CG-CD2 4.01Å; M755-L796 HydrophobicContact CE-CD2 3.28Å; M755-L796 HydrophobicContact CE-CG 4.27Å; M755-L796 HydrophobicContact SD-CD2 4.05Å; M755-Q799 VanDerWaalsContact CE-OE1 3.24Å; M755-I819 HydrophobicContact CE-CD1 4.08Å; M755-I819 HydrophobicContact SD-CD1 3.36Å; M755-I819 WeakPolarHBondContact SD-CD1 3.37Å |
| 756 | E | 80.7 | Confident | 80.8 | Confident | 149.333 Ų | 149.333 | 40.2 Ų | 40.2 | 70% | 0.698 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -72.1 | -26.6 | 176.7 | -74.9 | 173.9 | -179.6 | 0 | 0 | 112.4 | T752 I754 | T752-E756 WeakPolarHBondContact O-CG 3.37Å; T752-E756 PolarHBondContact O-N 2.92Å; I754-E756 VanDerWaalsContact C-N 3.34Å; I754-E756 PolarHBondContact O-N 3.06Å |
| 757 | N | 79.3 | Confident | 81.1 | Confident | 41.6667 Ų | 41.6667 | 41.2 Ų | 41.2 | 22% | 0.223 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 24.8 | -174.6 | -66.8 | -67.9 | 0 | 0 | 0 | 114.4 | F713 L753 I754 M755 C759 G760 | F713-N757 HydrophobicContact CD1-CB 3.5Å; F713-N757 HydrophobicContact CD2-CB 4.31Å; F713-N757 HydrophobicContact CE1-CB 3.57Å; F713-N757 VanDerWaalsContact CE1-CB 3.43Å; F713-N757 HydrophobicContact CE2-CB 4.37Å; F713-N757 HydrophobicContact CG-CB 3.9Å; F713-N757 HydrophobicContact CZ-CB 4.03Å; L753-N757 PolarHBondContact O-N 3.24Å; L753-N757 PolarHBondContact O-ND2 3.24Å; I754-N757 CarbonylContact O-C 3.38Å; I754-N757 PolarHBondContact O-N 3.09Å; M755-N757 VanDerWaalsContact C-N 3.31Å; N757-C759 PolarHBondContact O-N 3.34Å; N757-C759 VanDerWaalsContact O-N 3.12Å; N757-G760 PolarHBondContact O-N 3.27Å; N757-G760 VanDerWaalsContact O-N 3.11Å |
| 758 | L | 77.5 | Confident | 81.1 | Confident | 12.6667 Ų | 12.6667 | 45.9 Ų | 45.9 | 7% | 0.066 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -54 | -34.9 | -177.7 | -70.6 | 171.4 | 0 | 0 | 0 | 113.9 | I754 M755 G760 L761 V766 Y815 I819 | I754-L758 PolarHBondContact O-N 3.11Å; M755-L758 HydrophobicContact CE-CD1 4Å; M755-L758 WeakPolarHBondContact O-CG 3.45Å; M755-L758 HydrophobicContact SD-CD1 4.32Å; M755-L758 HydrophobicContact SD-CD2 4.46Å; L758-G760 PolarHBondContact O-N 3.02Å; L758-G760 VanDerWaalsContact O-N 3.16Å; L758-L761 PolarHBondContact O-N 3.08Å; L758-L761 VanDerWaalsContact O-N 3.07Å; L758-L761 VanDerWaalsContact O-O 3.08Å; L758-V766 HydrophobicContact CD2-CG1 3.97Å; L758-V766 HydrophobicContact CD2-CG2 3.9Å; L758-Y815 HydrophobicContact CB-CD1 4.33Å; L758-Y815 HydrophobicContact CB-CD2 4.39Å; L758-Y815 HydrophobicContact CB-CE1 4.41Å; L758-Y815 HydrophobicContact CB-CG 4.28Å; L758-Y815 HydrophobicContact CD1-CG 4.38Å; L758-Y815 HydrophobicContact CD2-CD1 3.98Å; L758-Y815 HydrophobicContact CD2-CG 4.23Å; L758-Y815 WeakPolarHBondContact O-CE1 3.21Å; L758-Y815 VanDerWaalsContact O-CZ 3.31Å; L758-Y815 PolarHBondContact O-OH 3.15Å; L758-I819 HydrophobicContact CD2-CD1 4.4Å |
| 759 | C | 71.3 | Confident | 81.3 | Confident | 122 Ų | 122 | 41.2 Ų | 41.2 | 82% | 0.824 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -63.2 | -23.1 | -178.3 | -64.2 | 0 | 0 | 0 | 0 | 113.8 | N757 L761 | N757-C759 PolarHBondContact O-N 3.34Å; N757-C759 VanDerWaalsContact O-N 3.12Å; C759-L761 VanDerWaalsContact C-N 3.35Å |
| 760 | G | 71.5 | Confident | 81.5 | Confident | 31.3333 Ų | 31.3333 | 37.7 Ų | 37.7 | 32% | 0.323 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -85.8 | -10.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | N727 N757 L758 | N727-G760 PolarHBondContact ND2-O 3.22Å; N727-G760 PolarHBondContact OD1-O 2.87Å; N727-G760 VanDerWaalsContact OD1-O 3.13Å; N757-G760 PolarHBondContact O-N 3.27Å; N757-G760 VanDerWaalsContact O-N 3.11Å; L758-G760 PolarHBondContact O-N 3.02Å; L758-G760 VanDerWaalsContact O-N 3.16Å |
| 761 | L | 77.6 | Confident | 81.5 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -110.4 | 149 | -175 | -61.3 | 164.9 | 0 | 0 | 0 | 110.3 | F713 N727 A730 I754 L758 C759 V766 I769 Y815 | F713-L761 HydrophobicContact CE1-CD2 4.31Å; F713-L761 HydrophobicContact CE1-CG 4.4Å; F713-L761 HydrophobicContact CZ-CD1 4.24Å; F713-L761 HydrophobicContact CZ-CD2 4.19Å; F713-L761 HydrophobicContact CZ-CG 4.38Å; N727-L761 HydrophobicContact CB-CD2 4.43Å; N727-L761 WeakPolarHBondContact OD1-CA 3.42Å; N727-L761 WeakPolarHBondContact OD1-CD2 3.39Å; A730-L761 HydrophobicContact CB-CD2 4.4Å; I754-L761 HydrophobicContact CD1-CD1 4.35Å; I754-L761 HydrophobicContact CG2-CD1 3.94Å; L758-L761 PolarHBondContact O-N 3.08Å; L758-L761 VanDerWaalsContact O-N 3.07Å; L758-L761 VanDerWaalsContact O-O 3.08Å; C759-L761 VanDerWaalsContact C-N 3.35Å; L761-V766 HydrophobicContact CB-CG2 3.6Å; L761-V766 HydrophobicContact CD1-CG2 3.97Å; L761-V766 HydrophobicContact CG-CG2 4.42Å; L761-I769 HydrophobicContact CD1-CD1 4.41Å; L761-I769 HydrophobicContact CD2-CD1 4.12Å; L761-Y815 VanDerWaalsContact O-CE1 3.26Å; L761-Y815 WeakPolarHBondContact O-CE1 3.21Å; L761-Y815 VanDerWaalsContact O-CZ 3.29Å; L761-Y815 PolarHBondContact O-OH 3Å |
| 762 | T | 80.1 | Confident | 81.3 | Confident | 60.6667 Ų | 60.6667 | 40.8 Ų | 40.8 | 37% | 0.372 | 23% | 0.233 | S | C | . | . | trans | -78.4 | 149.1 | 169.9 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | S764 T765 V766 | T762-S764 PolarHBondContact O-N 3.17Å; T762-S764 VanDerWaalsContact O-N 3.13Å; T762-S764 PolarHBondContact OG1-OG 3.01Å; T762-T765 PolarHBondContact N-OG1 2.97Å; T762-T765 VanDerWaalsContact N-OG1 3.1Å; T762-T765 PolarHBondContact O-N 3.1Å; T762-T765 VanDerWaalsContact O-N 3.08Å; T762-T765 PolarHBondContact O-OG1 3.33Å; T762-T765 WeakPolarHBondContact OG1-CB 3.45Å; T762-T765 VanDerWaalsContact OG1-CG2 3.28Å; T762-T765 WeakPolarHBondContact OG1-CG2 3.27Å; T762-T765 PolarHBondContact OG1-N 3.23Å; T762-T765 VanDerWaalsContact OG1-N 3.16Å; T762-T765 PolarHBondContact OG1-OG1 3.19Å; T762-V766 PolarHBondContact O-N 3.17Å; T762-V766 VanDerWaalsContact O-N 3.09Å | ||
| 763 | P | 80 | Confident | 81.3 | Confident | 25.6667 Ų | 25.6667 | 38.9 Ų | 38.9 | 17% | 0.167 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.5 | -34.9 | 177.5 | -27.4 | 34.5 | 0 | 0 | 0 | 113.6 | R767 E814 Y815 M818 | P763-R767 PolarHBondContact O-N 3.15Å; P763-R767 VanDerWaalsContact O-N 3.07Å; P763-E814 HydrophobicContact CB-CG 4.18Å; P763-E814 HydrophobicContact CG-CG 4.18Å; P763-Y815 HydrophobicContact CB-CD1 4.34Å; P763-Y815 HydrophobicContact CB-CE1 4.31Å; P763-Y815 HydrophobicContact CG-CD1 4.27Å; P763-Y815 HydrophobicContact CG-CE1 3.87Å; P763-M818 HydrophobicContact CB-CG 3.94Å |
| 764 | S | 82 | Confident | 81.3 | Confident | 83 Ų | 83 | 38.4 Ų | 38.4 | 58% | 0.58 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -67.5 | -39.5 | 175.7 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | T762 R767 K768 | T762-S764 PolarHBondContact O-N 3.17Å; T762-S764 VanDerWaalsContact O-N 3.13Å; T762-S764 PolarHBondContact OG1-OG 3.01Å; S764-R767 PolarHBondContact O-N 3.29Å; S764-K768 PolarHBondContact O-N 3.09Å; S764-K768 VanDerWaalsContact O-N 3.1Å |
| 765 | T | 80.2 | Confident | 81.2 | Confident | 26.6667 Ų | 26.6667 | 40.3 Ų | 40.3 | 16% | 0.164 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.7 | -40.1 | 177.3 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | N727 V731 T762 R767 K768 I769 | N727-T765 HydrophobicContact CB-CG2 4.37Å; N727-T765 PolarHBondContact OD1-OG1 3.09Å; V731-T765 HydrophobicContact CG2-CG2 4.34Å; T762-T765 PolarHBondContact N-OG1 2.97Å; T762-T765 VanDerWaalsContact N-OG1 3.1Å; T762-T765 PolarHBondContact O-N 3.1Å; T762-T765 VanDerWaalsContact O-N 3.08Å; T762-T765 PolarHBondContact O-OG1 3.33Å; T762-T765 WeakPolarHBondContact OG1-CB 3.45Å; T762-T765 VanDerWaalsContact OG1-CG2 3.28Å; T762-T765 WeakPolarHBondContact OG1-CG2 3.27Å; T762-T765 PolarHBondContact OG1-N 3.23Å; T762-T765 VanDerWaalsContact OG1-N 3.16Å; T762-T765 PolarHBondContact OG1-OG1 3.19Å; T765-R767 PolarHBondContact O-N 3.08Å; T765-K768 PolarHBondContact O-N 3.42Å; T765-I769 WeakPolarHBondContact O-CD1 3.14Å; T765-I769 VanDerWaalsContact O-CG1 3.3Å; T765-I769 WeakPolarHBondContact O-CG1 3.24Å; T765-I769 PolarHBondContact O-N 3.25Å |
| 766 | V | 85.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 173.3 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | L758 L761 T762 K768 I769 F770 Y815 I819 | L758-V766 HydrophobicContact CD2-CG1 3.97Å; L758-V766 HydrophobicContact CD2-CG2 3.9Å; L761-V766 HydrophobicContact CB-CG2 3.6Å; L761-V766 HydrophobicContact CD1-CG2 3.97Å; L761-V766 HydrophobicContact CG-CG2 4.42Å; T762-V766 PolarHBondContact O-N 3.17Å; T762-V766 VanDerWaalsContact O-N 3.09Å; V766-K768 VanDerWaalsContact C-N 3.29Å; V766-K768 PolarHBondContact O-N 3.14Å; V766-I769 PolarHBondContact O-N 3.39Å; V766-F770 HydrophobicContact CG1-CD2 3.82Å; V766-F770 HydrophobicContact CG1-CE2 3.88Å; V766-F770 WeakPolarHBondContact O-CD2 3.37Å; V766-F770 PolarHBondContact O-N 2.91Å; V766-Y815 HydrophobicContact CB-CD1 4.28Å; V766-Y815 HydrophobicContact CG2-CD1 3.81Å; V766-Y815 HydrophobicContact CG2-CE1 3.97Å; V766-I819 HydrophobicContact CG1-CD1 4.02Å; V766-I819 HydrophobicContact CG1-CG1 3.67Å |
| 767 | R | 86.1 | Confident | 81.2 | Confident | 69 Ų | 69 | 34.6 Ų | 34.6 | 26% | 0.26 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.2 | -45.5 | 176 | -172.2 | 171.5 | 168.6 | -97 | -6.2 | 112 | P763 S764 T765 C771 M818 A822 Q901 E904 | P763-R767 PolarHBondContact O-N 3.15Å; P763-R767 VanDerWaalsContact O-N 3.07Å; S764-R767 PolarHBondContact O-N 3.29Å; T765-R767 PolarHBondContact O-N 3.08Å; R767-C771 VanDerWaalsContact O-CB 3.25Å; R767-C771 WeakPolarHBondContact O-CB 3.32Å; R767-C771 PolarHBondContact O-N 3.18Å; R767-M818 HydrophobicContact CB-CB 4.09Å; R767-M818 HydrophobicContact CB-CG 4.5Å; R767-M818 HydrophobicContact CB-SD 4.34Å; R767-A822 HydrophobicContact CG-CB 4.22Å; R767-Q901 VanDerWaalsContact NE-OE1 3.17Å; R767-E904 IonicContact CZ-OE1 3.57Å; R767-E904 IonicContact CZ-OE2 3.62Å; R767-E904 VanDerWaalsContact CZ-OE2 3.29Å; R767-E904 IonicContact NE-OE2 3.27Å; R767-E904 IonicContact NH1-OE1 3.2Å; R767-E904 IonicContact NH2-OE1 3.24Å; R767-E904 PolarHBondContact NH2-OE1 3.41Å; R767-E904 IonicContact NH2-OE2 3.39Å; R767-E904 PolarHBondContact NH2-OE2 3.13Å |
| 768 | K | 83.9 | Confident | 81.2 | Confident | 101.667 Ų | 101.667 | 33 Ų | 33 | 44% | 0.442 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.8 | -46.2 | -179.8 | -172.8 | 175.1 | 178.5 | -174.7 | 0 | 111.8 | V731 S764 T765 V766 F770 C771 D772 | V731-K768 HydrophobicContact CG1-CD 3.74Å; V731-K768 HydrophobicContact CG1-CG 4.29Å; V731-K768 HydrophobicContact CG2-CD 4.48Å; S764-K768 PolarHBondContact O-N 3.09Å; S764-K768 VanDerWaalsContact O-N 3.1Å; T765-K768 PolarHBondContact O-N 3.42Å; V766-K768 VanDerWaalsContact C-N 3.29Å; V766-K768 PolarHBondContact O-N 3.14Å; K768-F770 PolarHBondContact O-N 3.08Å; K768-C771 PolarHBondContact O-N 3.38Å; K768-D772 WeakPolarHBondContact CG-OD2 3.37Å; K768-D772 WeakPolarHBondContact O-CB 3.2Å; K768-D772 PolarHBondContact O-N 3.25Å |
| 769 | I | 84.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.9 | -51.1 | 177.4 | -70.2 | 162.4 | 0 | 0 | 0 | 110.9 | A730 V731 A734 Y750 I754 L761 T765 V766 C771 T773 | A730-I769 HydrophobicContact CB-CD1 3.75Å; V731-I769 HydrophobicContact CB-CG1 4.48Å; V731-I769 HydrophobicContact CG2-CD1 4.22Å; V731-I769 HydrophobicContact CG2-CG1 3.85Å; A734-I769 HydrophobicContact CB-CB 4.23Å; A734-I769 HydrophobicContact CB-CG1 4.28Å; A734-I769 HydrophobicContact CB-CG2 3.98Å; Y750-I769 HydrophobicContact CE1-CG2 4.21Å; Y750-I769 WeakPolarHBondContact OH-CG2 3.42Å; I754-I769 HydrophobicContact CD1-CD1 4.42Å; I754-I769 HydrophobicContact CD1-CG2 3.5Å; I754-I769 VanDerWaalsContact CD1-CG2 3.47Å; I754-I769 HydrophobicContact CG1-CG2 4.42Å; L761-I769 HydrophobicContact CD1-CD1 4.41Å; L761-I769 HydrophobicContact CD2-CD1 4.12Å; T765-I769 WeakPolarHBondContact O-CD1 3.14Å; T765-I769 VanDerWaalsContact O-CG1 3.3Å; T765-I769 WeakPolarHBondContact O-CG1 3.24Å; T765-I769 PolarHBondContact O-N 3.25Å; V766-I769 PolarHBondContact O-N 3.39Å; I769-C771 VanDerWaalsContact C-N 3.34Å; I769-C771 PolarHBondContact O-N 2.86Å; I769-T773 WeakPolarHBondContact O-CB 3.37Å; I769-T773 WeakPolarHBondContact O-CG2 3.28Å; I769-T773 PolarHBondContact O-N 3.17Å; I769-T773 PolarHBondContact O-OG1 3.27Å |
| 770 | F | 87.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 179.6 | -85.6 | -97.1 | 0 | 0 | 0 | 112.2 | F751 I754 M755 V766 K768 T773 S774 I792 I819 A822 L823 | F751-F770 AromaticContact CD1-CD1 3.86Å; F751-F770 HydrophobicContact CD1-CD1 3.86Å; F751-F770 AromaticContact CD1-CE1 3.37Å; F751-F770 HydrophobicContact CD1-CE1 3.37Å; F751-F770 HydrophobicContact CD1-CE2 4.38Å; F751-F770 AromaticContact CD1-CZ 3.68Å; F751-F770 HydrophobicContact CD1-CZ 3.68Å; F751-F770 AromaticContact CE1-CD1 3.62Å; F751-F770 HydrophobicContact CE1-CD1 3.62Å; F751-F770 AromaticContact CE1-CE1 3.66Å; F751-F770 HydrophobicContact CE1-CE1 3.66Å; F751-F770 HydrophobicContact CE1-CG 4.21Å; F751-F770 HydrophobicContact CE1-CZ 4.27Å; F751-F770 HydrophobicContact CG-CE1 4.36Å; I754-F770 HydrophobicContact CG2-CE2 3.9Å; M755-F770 HydrophobicContact CG-CZ 4.28Å; M755-F770 HydrophobicContact SD-CE2 4.45Å; M755-F770 HydrophobicContact SD-CZ 3.95Å; V766-F770 HydrophobicContact CG1-CD2 3.82Å; V766-F770 HydrophobicContact CG1-CE2 3.88Å; V766-F770 WeakPolarHBondContact O-CD2 3.37Å; V766-F770 PolarHBondContact O-N 2.91Å; K768-F770 PolarHBondContact O-N 3.08Å; F770-T773 WeakPolarHBondContact CA-OG1 3.26Å; F770-T773 PolarHBondContact O-OG1 3.14Å; F770-S774 WeakPolarHBondContact O-CB 3.39Å; F770-S774 PolarHBondContact O-N 3.25Å; F770-S774 PolarHBondContact O-OG 2.99Å; F770-I792 HydrophobicContact CE1-CG2 4.22Å; F770-I819 HydrophobicContact CD1-CG2 3.78Å; F770-I819 HydrophobicContact CD2-CG1 4.01Å; F770-I819 HydrophobicContact CE1-CG2 3.66Å; F770-I819 HydrophobicContact CE2-CD1 4.18Å; F770-I819 HydrophobicContact CE2-CG1 3.88Å; F770-I819 HydrophobicContact CE2-CG2 4.46Å; F770-I819 HydrophobicContact CG-CG1 4.4Å; F770-I819 HydrophobicContact CG-CG2 4.24Å; F770-I819 HydrophobicContact CZ-CD1 4.27Å; F770-I819 HydrophobicContact CZ-CG1 4.15Å; F770-I819 HydrophobicContact CZ-CG2 4.03Å; F770-A822 HydrophobicContact CB-CB 3.78Å; F770-L823 HydrophobicContact CD1-CD2 4.24Å; F770-L823 HydrophobicContact CD1-CG 4.44Å |
| 771 | C | 85.7 | Confident | 81.3 | Confident | 30 Ų | 30 | 39.6 Ų | 39.6 | 20% | 0.203 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.2 | -49.4 | 177.8 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | R767 K768 I769 S774 N775 A822 | R767-C771 VanDerWaalsContact O-CB 3.25Å; R767-C771 WeakPolarHBondContact O-CB 3.32Å; R767-C771 PolarHBondContact O-N 3.18Å; K768-C771 PolarHBondContact O-N 3.38Å; I769-C771 VanDerWaalsContact C-N 3.34Å; I769-C771 PolarHBondContact O-N 2.86Å; C771-S774 PolarHBondContact O-N 3Å; C771-S774 PolarHBondContact O-OG 2.91Å; C771-S774 VanDerWaalsContact O-OG 3.11Å; C771-N775 VanDerWaalsContact O-CB 3.25Å; C771-N775 WeakPolarHBondContact O-CB 3.4Å; C771-N775 PolarHBondContact O-N 3.02Å; C771-N775 PolarHBondContact O-ND2 3.42Å; C771-N775 VanDerWaalsContact O-ND2 3.14Å; C771-N775 PolarHBondContact SG-ND2 3.17Å; C771-N775 VanDerWaalsContact SG-ND2 3.37Å; C771-A822 HydrophobicContact CB-CB 4.28Å |
| 772 | D | 81.8 | Confident | 81.3 | Confident | 39.6667 Ų | 39.6667 | 40.8 Ų | 40.8 | 21% | 0.212 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.6 | -45.6 | -176.9 | -69.3 | -17.1 | 0 | 0 | 0 | 111.2 | A734 K768 N775 N776 | A734-D772 HydrophobicContact CB-CB 4.3Å; K768-D772 WeakPolarHBondContact CG-OD2 3.37Å; K768-D772 WeakPolarHBondContact O-CB 3.2Å; K768-D772 PolarHBondContact O-N 3.25Å; D772-N775 PolarHBondContact O-N 3.22Å; D772-N776 WeakPolarHBondContact O-CB 3.44Å; D772-N776 VanDerWaalsContact O-CG 3.24Å; D772-N776 PolarHBondContact O-N 3.35Å; D772-N776 VanDerWaalsContact O-N 3.09Å; D772-N776 PolarHBondContact O-ND2 3.1Å |
| 773 | T | 82.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -48.6 | 176 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | A734 I737 W739 Y750 F751 I769 F770 N775 N776 L777 | A734-T773 VanDerWaalsContact CA-CG2 3.5Å; A734-T773 HydrophobicContact CB-CG2 3.64Å; I737-T773 HydrophobicContact CB-CG2 4.32Å; I737-T773 HydrophobicContact CD1-CG2 3.84Å; W739-T773 HydrophobicContact CH2-CG2 4.07Å; W739-T773 HydrophobicContact CZ2-CG2 3.36Å; Y750-T773 HydrophobicContact CE1-CG2 3.68Å; F751-T773 WeakPolarHBondContact CE1-OG1 3.14Å; F751-T773 HydrophobicContact CZ-CG2 4.49Å; F751-T773 VanDerWaalsContact CZ-OG1 3.31Å; F751-T773 WeakPolarHBondContact CZ-OG1 3.29Å; I769-T773 WeakPolarHBondContact O-CB 3.37Å; I769-T773 WeakPolarHBondContact O-CG2 3.28Å; I769-T773 PolarHBondContact O-N 3.17Å; I769-T773 PolarHBondContact O-OG1 3.27Å; F770-T773 WeakPolarHBondContact CA-OG1 3.26Å; F770-T773 PolarHBondContact O-OG1 3.14Å; T773-N775 VanDerWaalsContact C-N 3.34Å; T773-N775 PolarHBondContact O-N 3.21Å; T773-N776 PolarHBondContact O-N 3.11Å; T773-L777 WeakPolarHBondContact O-CB 3.28Å; T773-L777 VanDerWaalsContact O-CG 3.25Å; T773-L777 WeakPolarHBondContact O-CG 3.37Å; T773-L777 PolarHBondContact O-N 3.12Å |
| 774 | S | 84.4 | Confident | 81.2 | Confident | 0.333333 Ų | 0.333333 | 40 Ų | 40 | 0% | 0.002 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | -178.9 | 31 | 0 | 0 | 0 | 0 | 111.9 | F770 C771 L777 S778 W785 L823 C826 | F770-S774 WeakPolarHBondContact O-CB 3.39Å; F770-S774 PolarHBondContact O-N 3.25Å; F770-S774 PolarHBondContact O-OG 2.99Å; C771-S774 PolarHBondContact O-N 3Å; C771-S774 PolarHBondContact O-OG 2.91Å; C771-S774 VanDerWaalsContact O-OG 3.11Å; S774-L777 PolarHBondContact O-N 3.24Å; S774-S778 VanDerWaalsContact O-CB 3.27Å; S774-S778 WeakPolarHBondContact O-CB 3.33Å; S774-S778 PolarHBondContact O-N 3.19Å; S774-S778 PolarHBondContact O-OG 3.38Å; S774-S778 VanDerWaalsContact O-OG 3.13Å; S774-W785 VanDerWaalsContact CB-CH2 3.45Å; S774-L823 WeakPolarHBondContact OG-CD2 2.83Å; S774-C826 VanDerWaalsContact C-SG 3.53Å; S774-C826 PolarHBondContact O-SG 3.17Å; S774-C826 WeakPolarHBondContact OG-CB 3.32Å |
| 775 | N | 81.8 | Confident | 81.2 | Confident | 38.3333 Ų | 38.3333 | 36.2 Ų | 36.2 | 21% | 0.205 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.9 | -38.2 | 177.8 | -73.1 | -26 | 0 | 0 | 0 | 112.7 | C771 D772 T773 S778 K779 C826 | C771-N775 VanDerWaalsContact O-CB 3.25Å; C771-N775 WeakPolarHBondContact O-CB 3.4Å; C771-N775 PolarHBondContact O-N 3.02Å; C771-N775 PolarHBondContact O-ND2 3.42Å; C771-N775 VanDerWaalsContact O-ND2 3.14Å; C771-N775 PolarHBondContact SG-ND2 3.17Å; C771-N775 VanDerWaalsContact SG-ND2 3.37Å; D772-N775 PolarHBondContact O-N 3.22Å; T773-N775 VanDerWaalsContact C-N 3.34Å; T773-N775 PolarHBondContact O-N 3.21Å; N775-S778 PolarHBondContact O-OG 3.15Å; N775-K779 WeakPolarHBondContact O-CB 3.48Å; N775-K779 WeakPolarHBondContact O-CD 3.36Å; N775-K779 VanDerWaalsContact O-CG 3.27Å; N775-K779 WeakPolarHBondContact O-CG 3.25Å; N775-K779 PolarHBondContact O-N 3.01Å; N775-C826 PolarHBondContact OD1-SG 2.98Å; N775-C826 VanDerWaalsContact OD1-SG 3.35Å |
| 776 | N | 79.2 | Confident | 81.3 | Confident | 39 Ų | 39 | 35.5 Ų | 35.5 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.4 | -40.7 | 177 | -74 | -23 | 0 | 0 | 0 | 111.9 | A734 S735 D772 T773 T780 | A734-N776 PolarHBondContact O-ND2 3.25Å; S735-N776 PolarHBondContact O-ND2 3.43Å; D772-N776 WeakPolarHBondContact O-CB 3.44Å; D772-N776 VanDerWaalsContact O-CG 3.24Å; D772-N776 PolarHBondContact O-N 3.35Å; D772-N776 VanDerWaalsContact O-N 3.09Å; D772-N776 PolarHBondContact O-ND2 3.1Å; T773-N776 PolarHBondContact O-N 3.11Å; N776-T780 WeakPolarHBondContact O-CG2 3.43Å; N776-T780 PolarHBondContact O-N 3.39Å; N776-T780 PolarHBondContact O-OG1 2.95Å; N776-T780 VanDerWaalsContact O-OG1 3.05Å |
| 777 | L | 82.1 | Confident | 81.1 | Confident | 1.66667 Ų | 1.66667 | 39 Ų | 39 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.6 | -40.6 | -180 | -71.2 | 171.3 | 0 | 0 | 0 | 112.7 | I737 W739 I747 F751 T773 S774 K779 T780 N781 W785 | I737-L777 HydrophobicContact CG2-CD1 4.28Å; I737-L777 HydrophobicContact CG2-CD2 4.04Å; I737-L777 HydrophobicContact CG2-CG 4.35Å; W739-L777 HydrophobicContact CB-CD2 3.43Å; W739-L777 VanDerWaalsContact CB-CD2 3.43Å; W739-L777 HydrophobicContact CB-CG 3.84Å; W739-L777 HydrophobicContact CD2-CD2 3.84Å; W739-L777 HydrophobicContact CE3-CD2 4.42Å; W739-L777 HydrophobicContact CG-CD2 4.11Å; W739-L777 HydrophobicContact CG-CG 3.99Å; W739-L777 HydrophobicContact CZ2-CB 3.95Å; W739-L777 HydrophobicContact CZ2-CD2 4.02Å; W739-L777 HydrophobicContact CZ2-CG 4.41Å; W739-L777 PolarHBondContact NE1-O 3.38Å; I747-L777 HydrophobicContact CD1-CD1 4.13Å; I747-L777 HydrophobicContact CD1-CD2 3.71Å; I747-L777 HydrophobicContact CG1-CD2 4.43Å; I747-L777 HydrophobicContact CG2-CD1 3.8Å; F751-L777 HydrophobicContact CE2-CD1 4.37Å; F751-L777 HydrophobicContact CZ-CD1 4.36Å; T773-L777 WeakPolarHBondContact O-CB 3.28Å; T773-L777 VanDerWaalsContact O-CG 3.25Å; T773-L777 WeakPolarHBondContact O-CG 3.37Å; T773-L777 PolarHBondContact O-N 3.12Å; S774-L777 PolarHBondContact O-N 3.24Å; L777-K779 VanDerWaalsContact C-N 3.31Å; L777-K779 PolarHBondContact O-N 2.98Å; L777-T780 WeakPolarHBondContact CA-OG1 3.45Å; L777-T780 PolarHBondContact O-N 2.98Å; L777-T780 PolarHBondContact O-OG1 3.01Å; L777-T780 VanDerWaalsContact O-OG1 3.05Å; L777-N781 PolarHBondContact O-N 2.96Å; L777-W785 HydrophobicContact CB-CD2 4.43Å; L777-W785 HydrophobicContact CB-CE3 3.9Å; L777-W785 HydrophobicContact CB-CG 4.44Å; L777-W785 HydrophobicContact CB-CZ3 4.48Å; L777-W785 HydrophobicContact CD1-CE3 3.94Å; L777-W785 HydrophobicContact CD1-CZ3 3.87Å |
| 778 | S | 79.1 | Confident | 80.9 | Confident | 7.66667 Ų | 7.66667 | 35.8 Ų | 35.8 | 5% | 0.054 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.5 | -37.2 | -177.8 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | S774 N775 T780 L782 C826 | S774-S778 VanDerWaalsContact O-CB 3.27Å; S774-S778 WeakPolarHBondContact O-CB 3.33Å; S774-S778 PolarHBondContact O-N 3.19Å; S774-S778 PolarHBondContact O-OG 3.38Å; S774-S778 VanDerWaalsContact O-OG 3.13Å; N775-S778 PolarHBondContact O-OG 3.15Å; S778-T780 VanDerWaalsContact C-N 3.3Å; S778-T780 PolarHBondContact O-N 2.93Å; S778-L782 PolarHBondContact O-N 3.27Å; S778-C826 PolarHBondContact OG-SG 2.71Å; S778-C826 VanDerWaalsContact OG-SG 3.32Å |
| 779 | K | 75.4 | Confident | 81 | Confident | 146.667 Ų | 146.667 | 31 Ų | 31 | 64% | 0.638 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -67.7 | -29.8 | 176.6 | -73.9 | 177.3 | -178.4 | 177.5 | 0 | 113.7 | H680 N775 L777 | H680-K779 PolarHBondContact CE1-NZ 2.89Å; H680-K779 VanDerWaalsContact CE1-NZ 3.34Å; H680-K779 PolarHBondContact NE2-NZ 3.39Å; N775-K779 WeakPolarHBondContact O-CB 3.48Å; N775-K779 WeakPolarHBondContact O-CD 3.36Å; N775-K779 VanDerWaalsContact O-CG 3.27Å; N775-K779 WeakPolarHBondContact O-CG 3.25Å; N775-K779 PolarHBondContact O-N 3.01Å; L777-K779 VanDerWaalsContact C-N 3.31Å; L777-K779 PolarHBondContact O-N 2.98Å |
| 780 | T | 72 | Confident | 81.1 | Confident | 82 Ų | 82 | 36.3 Ų | 36.3 | 50% | 0.503 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -89.8 | -46.3 | -176.1 | 44.4 | 0 | 0 | 0 | 0 | 112.1 | W739 N776 L777 S778 | W739-T780 PolarHBondContact NE1-OG1 3.39Å; N776-T780 WeakPolarHBondContact O-CG2 3.43Å; N776-T780 PolarHBondContact O-N 3.39Å; N776-T780 PolarHBondContact O-OG1 2.95Å; N776-T780 VanDerWaalsContact O-OG1 3.05Å; L777-T780 WeakPolarHBondContact CA-OG1 3.45Å; L777-T780 PolarHBondContact O-N 2.98Å; L777-T780 PolarHBondContact O-OG1 3.01Å; L777-T780 VanDerWaalsContact O-OG1 3.05Å; S778-T780 VanDerWaalsContact C-N 3.3Å; S778-T780 PolarHBondContact O-N 2.93Å |
| 781 | N | 75.9 | Confident | 80.8 | Confident | 74.6667 Ų | 74.6667 | 37.2 Ų | 37.2 | 40% | 0.399 | 20% | 0.198 | S | C | . | . | trans | -152.3 | 98.4 | 174.6 | -172.6 | -14.5 | 0 | 0 | 0 | 111.7 | W739 L777 N783 S784 W785 | W739-N781 HydrophobicContact CG-CB 4.44Å; L777-N781 PolarHBondContact O-N 2.96Å; N781-N783 VanDerWaalsContact C-N 3.32Å; N781-N783 PolarHBondContact O-N 3.24Å; N781-N783 WeakPolarHBondContact OD1-CB 3.41Å; N781-N783 PolarHBondContact OD1-N 3.24Å; N781-N783 VanDerWaalsContact OD1-N 3.15Å; N781-S784 VanDerWaalsContact CB-OG 3.28Å; N781-S784 WeakPolarHBondContact CB-OG 3.25Å; N781-S784 PolarHBondContact ND2-OG 3.16Å; N781-S784 PolarHBondContact O-N 3.27Å; N781-S784 PolarHBondContact O-OG 3.37Å; N781-S784 VanDerWaalsContact O-OG 3.13Å; N781-S784 PolarHBondContact OD1-N 3.09Å; N781-S784 PolarHBondContact OD1-OG 3.05Å; N781-W785 WeakPolarHBondContact O-CB 3.29Å; N781-W785 PolarHBondContact O-N 3.15Å; N781-W785 VanDerWaalsContact O-N 3.08Å | ||
| 782 | L | 78.2 | Confident | 80.7 | Confident | 29.3333 Ų | 29.3333 | 36.2 Ų | 36.2 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.2 | -30.9 | -177.8 | -165 | 113.3 | 0 | 0 | 0 | 113 | S778 W785 I786 C830 F834 V865 V870 | S778-L782 PolarHBondContact O-N 3.27Å; L782-W785 PolarHBondContact O-N 3.24Å; L782-I786 HydrophobicContact CD2-CD1 3.81Å; L782-I786 HydrophobicContact CD2-CG1 4.15Å; L782-I786 HydrophobicContact CG-CD1 4.03Å; L782-I786 HydrophobicContact CG-CG1 4.45Å; L782-I786 WeakPolarHBondContact O-CG1 3.4Å; L782-I786 PolarHBondContact O-N 2.92Å; L782-C830 HydrophobicContact CD1-CB 3.92Å; L782-C830 VanDerWaalsContact CD1-SG 3.6Å; L782-F834 HydrophobicContact CD1-CE2 4.03Å; L782-F834 HydrophobicContact CD2-CE2 3.84Å; L782-F834 HydrophobicContact CD2-CZ 3.98Å; L782-V865 HydrophobicContact CD2-CB 3.92Å; L782-V865 HydrophobicContact CD2-CG1 3.55Å; L782-V865 HydrophobicContact CD2-CG2 3.86Å; L782-V870 HydrophobicContact CD2-CG2 4.18Å |
| 783 | N | 78.8 | Confident | 80.8 | Confident | 48 Ų | 48 | 35.1 Ų | 35.1 | 26% | 0.257 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.5 | -48.9 | 180 | -82.8 | -9.1 | 0 | 0 | 0 | 111.6 | N781 W785 I786 T787 S862 S863 V865 | N781-N783 VanDerWaalsContact C-N 3.32Å; N781-N783 PolarHBondContact O-N 3.24Å; N781-N783 WeakPolarHBondContact OD1-CB 3.41Å; N781-N783 PolarHBondContact OD1-N 3.24Å; N781-N783 VanDerWaalsContact OD1-N 3.15Å; N783-W785 VanDerWaalsContact C-N 3.31Å; N783-I786 PolarHBondContact O-N 3.17Å; N783-T787 PolarHBondContact O-N 3.07Å; N783-S862 PolarHBondContact ND2-OG 2.68Å; N783-S863 PolarHBondContact ND2-O 3.1Å; N783-S863 PolarHBondContact OD1-O 3.15Å; N783-V865 HydrophobicContact CB-CG2 4.42Å; N783-V865 WeakPolarHBondContact OD1-CB 3.22Å; N783-V865 WeakPolarHBondContact OD1-CG2 3.29Å; N783-V865 PolarHBondContact OD1-N 3.19Å |
| 784 | S | 77.4 | Confident | 80.7 | Confident | 21.3333 Ų | 21.3333 | 41 Ų | 41 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.3 | -31.8 | 175.9 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | W739 N781 I786 T787 V788 | W739-S784 VanDerWaalsContact CE2-OG 3.23Å; W739-S784 WeakPolarHBondContact CH2-OG 3.34Å; W739-S784 WeakPolarHBondContact CZ2-OG 3.36Å; N781-S784 VanDerWaalsContact CB-OG 3.28Å; N781-S784 WeakPolarHBondContact CB-OG 3.25Å; N781-S784 PolarHBondContact ND2-OG 3.16Å; N781-S784 PolarHBondContact O-N 3.27Å; N781-S784 PolarHBondContact O-OG 3.37Å; N781-S784 VanDerWaalsContact O-OG 3.13Å; N781-S784 PolarHBondContact OD1-N 3.09Å; N781-S784 PolarHBondContact OD1-OG 3.05Å; S784-I786 VanDerWaalsContact C-N 3.33Å; S784-I786 PolarHBondContact O-N 3.38Å; S784-T787 PolarHBondContact O-N 2.97Å; S784-T787 PolarHBondContact O-OG1 3.16Å; S784-V788 WeakPolarHBondContact O-CG2 3.33Å; S784-V788 PolarHBondContact O-N 3.14Å |
| 785 | W | 83.6 | Confident | 80.4 | Confident | 3.33333 Ų | 3.33333 | 43.8 Ų | 43.8 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 171.9 | 177.2 | -148.4 | 0 | 0 | 0 | 111.6 | W739 F751 S774 L777 N781 L782 N783 T787 V788 H789 I792 L823 L827 | W739-W785 HydrophobicContact CZ2-CB 4.14Å; F751-W785 HydrophobicContact CE2-CH2 4.27Å; F751-W785 AromaticContact CE2-CZ3 3.87Å; F751-W785 HydrophobicContact CE2-CZ3 3.87Å; F751-W785 HydrophobicContact CZ-CH2 4.02Å; F751-W785 AromaticContact CZ-CZ3 3.98Å; F751-W785 HydrophobicContact CZ-CZ3 3.99Å; S774-W785 VanDerWaalsContact CB-CH2 3.45Å; L777-W785 HydrophobicContact CB-CD2 4.43Å; L777-W785 HydrophobicContact CB-CE3 3.9Å; L777-W785 HydrophobicContact CB-CG 4.44Å; L777-W785 HydrophobicContact CB-CZ3 4.48Å; L777-W785 HydrophobicContact CD1-CE3 3.94Å; L777-W785 HydrophobicContact CD1-CZ3 3.87Å; N781-W785 WeakPolarHBondContact O-CB 3.29Å; N781-W785 PolarHBondContact O-N 3.15Å; N781-W785 VanDerWaalsContact O-N 3.08Å; L782-W785 PolarHBondContact O-N 3.24Å; N783-W785 VanDerWaalsContact C-N 3.31Å; W785-T787 VanDerWaalsContact C-N 3.31Å; W785-T787 PolarHBondContact O-N 3.02Å; W785-V788 HydrophobicContact CE3-CB 4.33Å; W785-V788 HydrophobicContact CE3-CG1 4.3Å; W785-V788 HydrophobicContact CZ3-CB 4.49Å; W785-V788 HydrophobicContact CZ3-CG1 4.03Å; W785-V788 PolarHBondContact O-N 3.07Å; W785-V788 VanDerWaalsContact O-N 3.17Å; W785-H789 HydrophobicContact CD2-CB 4.17Å; W785-H789 HydrophobicContact CE3-CB 3.64Å; W785-H789 HydrophobicContact CH2-CB 3.26Å; W785-H789 AromaticContact CH2-CD2 2.97Å; W785-H789 WeakPolarHBondContact CH2-CD2 3.05Å; W785-H789 AromaticContact CH2-CG 3.07Å; W785-H789 AromaticContact CH2-ND1 3.87Å; W785-H789 AromaticContact CH2-NE2 3.72Å; W785-H789 HydrophobicContact CZ2-CB 3.86Å; W785-H789 AromaticContact CZ2-CD2 3.55Å; W785-H789 AromaticContact CZ2-CG 3.91Å; W785-H789 HydrophobicContact CZ3-CB 3.1Å; W785-H789 AromaticContact CZ3-CD2 3.74Å; W785-H789 AromaticContact CZ3-CG 3.3Å; W785-H789 AromaticContact CZ3-ND1 3.93Å; W785-H789 VanDerWaalsContact O-CB 3.3Å; W785-H789 WeakPolarHBondContact O-CB 3.41Å; W785-H789 PolarHBondContact O-N 3.15Å; W785-I792 HydrophobicContact CH2-CD1 4.32Å; W785-L823 HydrophobicContact CH2-CD2 3.94Å; W785-L823 HydrophobicContact CZ2-CD2 3.89Å; W785-L827 HydrophobicContact CE3-CD2 4.44Å; W785-L827 HydrophobicContact CH2-CD1 3.78Å; W785-L827 HydrophobicContact CH2-CD2 3.53Å; W785-L827 HydrophobicContact CH2-CG 3.5Å; W785-L827 HydrophobicContact CZ2-CD2 4.48Å; W785-L827 HydrophobicContact CZ2-CG 4.27Å; W785-L827 HydrophobicContact CZ3-CD1 4.38Å; W785-L827 HydrophobicContact CZ3-CD2 3.53Å; W785-L827 HydrophobicContact CZ3-CG 4.07Å |
| 786 | I | 81.5 | Confident | 80.3 | Confident | 12.3333 Ų | 12.3333 | 42 Ų | 42 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -34.8 | -178.6 | -74.9 | 167.8 | 0 | 0 | 0 | 112 | L782 N783 S784 K790 V865 V870 L873 | L782-I786 HydrophobicContact CD2-CD1 3.81Å; L782-I786 HydrophobicContact CD2-CG1 4.15Å; L782-I786 HydrophobicContact CG-CD1 4.03Å; L782-I786 HydrophobicContact CG-CG1 4.45Å; L782-I786 WeakPolarHBondContact O-CG1 3.4Å; L782-I786 PolarHBondContact O-N 2.92Å; N783-I786 PolarHBondContact O-N 3.17Å; S784-I786 VanDerWaalsContact C-N 3.33Å; S784-I786 PolarHBondContact O-N 3.38Å; I786-K790 HydrophobicContact CG2-CD 4.46Å; I786-K790 WeakPolarHBondContact O-CG 3.42Å; I786-K790 PolarHBondContact O-N 3.12Å; I786-K790 VanDerWaalsContact O-N 3.08Å; I786-V865 HydrophobicContact CD1-CB 4.18Å; I786-V865 HydrophobicContact CD1-CG1 3.48Å; I786-V865 VanDerWaalsContact CD1-CG1 3.46Å; I786-V865 HydrophobicContact CD1-CG2 3.61Å; I786-V865 VanDerWaalsContact CD1-CG2 3.48Å; I786-V870 HydrophobicContact CD1-CG2 4.49Å; I786-L873 HydrophobicContact CG1-CD1 4.26Å; I786-L873 HydrophobicContact CG2-CD1 4.19Å |
| 787 | T | 81.5 | Confident | 80.1 | Confident | 73.6667 Ų | 73.6667 | 42.9 Ų | 42.9 | 45% | 0.452 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69 | -39 | 175.5 | 59 | 0 | 0 | 0 | 0 | 111.7 | N783 S784 W785 K790 S791 | N783-T787 PolarHBondContact O-N 3.07Å; S784-T787 PolarHBondContact O-N 2.97Å; S784-T787 PolarHBondContact O-OG1 3.16Å; W785-T787 VanDerWaalsContact C-N 3.31Å; W785-T787 PolarHBondContact O-N 3.02Å; T787-K790 PolarHBondContact O-N 3.03Å; T787-S791 PolarHBondContact O-N 3.38Å; T787-S791 PolarHBondContact O-OG 3.11Å |
| 788 | V | 82.5 | Confident | 79.5 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.4 | -46.1 | 173.6 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | W739 I747 R748 F751 S784 W785 K790 S791 I792 | W739-V788 HydrophobicContact CH2-CG2 3.97Å; I747-V788 HydrophobicContact CB-CG2 4.49Å; I747-V788 HydrophobicContact CG2-CG1 3.96Å; I747-V788 HydrophobicContact CG2-CG2 4.17Å; R748-V788 HydrophobicContact CG-CG1 4.45Å; R748-V788 HydrophobicContact CG-CG2 4.47Å; F751-V788 HydrophobicContact CD2-CG1 4.12Å; F751-V788 HydrophobicContact CE2-CG1 4.1Å; S784-V788 WeakPolarHBondContact O-CG2 3.33Å; S784-V788 PolarHBondContact O-N 3.14Å; W785-V788 HydrophobicContact CE3-CB 4.33Å; W785-V788 HydrophobicContact CE3-CG1 4.3Å; W785-V788 HydrophobicContact CZ3-CB 4.49Å; W785-V788 HydrophobicContact CZ3-CG1 4.03Å; W785-V788 PolarHBondContact O-N 3.07Å; W785-V788 VanDerWaalsContact O-N 3.17Å; V788-K790 VanDerWaalsContact C-N 3.34Å; V788-K790 PolarHBondContact O-N 3.18Å; V788-S791 WeakPolarHBondContact CA-OG 3.34Å; V788-S791 WeakPolarHBondContact O-CB 3.23Å; V788-S791 PolarHBondContact O-N 3.22Å; V788-S791 VanDerWaalsContact O-N 3.11Å; V788-S791 PolarHBondContact O-OG 3.12Å; V788-I792 HydrophobicContact CG1-CD1 3.8Å; V788-I792 HydrophobicContact CG1-CG1 4.35Å; V788-I792 WeakPolarHBondContact O-CG1 3.24Å; V788-I792 PolarHBondContact O-N 3.19Å |
| 789 | H | 86.2 | Confident | 78.8 | Confident | 0.333333 Ų | 0.333333 | 51.4 Ų | 51.4 | 0% | 0.002 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.8 | -47 | 177.4 | 178.4 | -80.9 | 0 | 0 | 0 | 111.9 | W785 S791 I792 M793 L827 | W785-H789 HydrophobicContact CD2-CB 4.17Å; W785-H789 HydrophobicContact CE3-CB 3.64Å; W785-H789 HydrophobicContact CH2-CB 3.26Å; W785-H789 AromaticContact CH2-CD2 2.97Å; W785-H789 WeakPolarHBondContact CH2-CD2 3.05Å; W785-H789 AromaticContact CH2-CG 3.07Å; W785-H789 AromaticContact CH2-ND1 3.87Å; W785-H789 AromaticContact CH2-NE2 3.72Å; W785-H789 HydrophobicContact CZ2-CB 3.86Å; W785-H789 AromaticContact CZ2-CD2 3.55Å; W785-H789 AromaticContact CZ2-CG 3.91Å; W785-H789 HydrophobicContact CZ3-CB 3.1Å; W785-H789 AromaticContact CZ3-CD2 3.74Å; W785-H789 AromaticContact CZ3-CG 3.3Å; W785-H789 AromaticContact CZ3-ND1 3.93Å; W785-H789 VanDerWaalsContact O-CB 3.3Å; W785-H789 WeakPolarHBondContact O-CB 3.41Å; W785-H789 PolarHBondContact O-N 3.15Å; H789-S791 VanDerWaalsContact C-N 3.31Å; H789-S791 PolarHBondContact O-N 3.13Å; H789-I792 PolarHBondContact O-N 2.87Å; H789-M793 VanDerWaalsContact CE1-CG 3.44Å; H789-M793 WeakPolarHBondContact CE1-CG 3.32Å; H789-M793 VanDerWaalsContact O-CG 3.27Å; H789-M793 WeakPolarHBondContact O-CG 3.26Å; H789-M793 PolarHBondContact O-N 3.4Å; H789-L827 VanDerWaalsContact NE2-CD1 3.34Å; H789-L827 WeakPolarHBondContact NE2-CD1 3.47Å |
| 790 | K | 84.7 | Confident | 78 | Confident | 110.667 Ų | 110.667 | 47.1 Ų | 47.1 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 176.4 | -75.1 | 178.7 | -179.8 | -177.5 | 0 | 112.2 | I786 T787 V788 I792 M793 E794 | I786-K790 HydrophobicContact CG2-CD 4.46Å; I786-K790 WeakPolarHBondContact O-CG 3.42Å; I786-K790 PolarHBondContact O-N 3.12Å; I786-K790 VanDerWaalsContact O-N 3.08Å; T787-K790 PolarHBondContact O-N 3.03Å; V788-K790 VanDerWaalsContact C-N 3.34Å; V788-K790 PolarHBondContact O-N 3.18Å; K790-I792 VanDerWaalsContact C-N 3.34Å; K790-I792 PolarHBondContact O-N 3.26Å; K790-M793 PolarHBondContact O-N 2.98Å; K790-E794 WeakPolarHBondContact O-CG 3.31Å; K790-E794 PolarHBondContact O-N 3.13Å |
| 791 | S | 81.2 | Confident | 76.8 | Confident | 19.6667 Ų | 19.6667 | 49.1 Ų | 49.1 | 14% | 0.138 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 176.5 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | R748 T787 V788 H789 E794 L795 | R748-S791 PolarHBondContact NE-OG 3.22Å; R748-S791 PolarHBondContact NH2-OG 2.66Å; T787-S791 PolarHBondContact O-N 3.38Å; T787-S791 PolarHBondContact O-OG 3.11Å; V788-S791 WeakPolarHBondContact CA-OG 3.34Å; V788-S791 WeakPolarHBondContact O-CB 3.23Å; V788-S791 PolarHBondContact O-N 3.22Å; V788-S791 VanDerWaalsContact O-N 3.11Å; V788-S791 PolarHBondContact O-OG 3.12Å; H789-S791 VanDerWaalsContact C-N 3.31Å; H789-S791 PolarHBondContact O-N 3.13Å; S791-E794 PolarHBondContact O-N 3.1Å; S791-L795 WeakPolarHBondContact O-CG 3.4Å; S791-L795 PolarHBondContact O-N 3.18Å; S791-L795 VanDerWaalsContact O-N 3.11Å |
| 792 | I | 84.6 | Confident | 75.1 | Confident | 7.66667 Ų | 7.66667 | 53 Ų | 53 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 175.1 | -64.9 | 166.5 | 0 | 0 | 0 | 110.2 | F751 F770 W785 V788 H789 K790 E794 L795 L796 L823 | F751-I792 HydrophobicContact CB-CD1 4.21Å; F751-I792 HydrophobicContact CB-CG1 4.26Å; F751-I792 HydrophobicContact CD1-CD1 4.12Å; F751-I792 HydrophobicContact CD2-CD1 3.53Å; F751-I792 VanDerWaalsContact CD2-CD1 3.47Å; F751-I792 HydrophobicContact CD2-CG1 4.32Å; F751-I792 HydrophobicContact CE1-CD1 4.36Å; F751-I792 HydrophobicContact CE2-CD1 3.81Å; F751-I792 HydrophobicContact CG-CD1 3.69Å; F751-I792 HydrophobicContact CG-CG1 4.28Å; F751-I792 HydrophobicContact CZ-CD1 4.21Å; F770-I792 HydrophobicContact CE1-CG2 4.22Å; W785-I792 HydrophobicContact CH2-CD1 4.32Å; V788-I792 HydrophobicContact CG1-CD1 3.8Å; V788-I792 HydrophobicContact CG1-CG1 4.35Å; V788-I792 WeakPolarHBondContact O-CG1 3.24Å; V788-I792 PolarHBondContact O-N 3.19Å; H789-I792 PolarHBondContact O-N 2.87Å; K790-I792 VanDerWaalsContact C-N 3.34Å; K790-I792 PolarHBondContact O-N 3.26Å; I792-E794 VanDerWaalsContact C-N 3.34Å; I792-E794 PolarHBondContact O-N 3.11Å; I792-L795 WeakPolarHBondContact O-CB 3.34Å; I792-L795 PolarHBondContact O-N 3Å; I792-L796 HydrophobicContact CG2-CD1 3.92Å; I792-L796 HydrophobicContact CG2-CG 4.45Å; I792-L796 WeakPolarHBondContact O-CG 3.45Å; I792-L796 PolarHBondContact O-N 3.22Å; I792-L823 HydrophobicContact CG2-CD1 4.03Å |
| 793 | M | 82.9 | Confident | 73.2 | Confident | 16.6667 Ų | 16.6667 | 61.6 Ų | 61.6 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.4 | -68.5 | -63.4 | -68.7 | 0 | 0 | 112.3 | H789 K790 L796 N797 Y820 L823 I877 I880 | H789-M793 VanDerWaalsContact CE1-CG 3.44Å; H789-M793 WeakPolarHBondContact CE1-CG 3.32Å; H789-M793 VanDerWaalsContact O-CG 3.27Å; H789-M793 WeakPolarHBondContact O-CG 3.26Å; H789-M793 PolarHBondContact O-N 3.4Å; K790-M793 PolarHBondContact O-N 2.98Å; M793-L796 HydrophobicContact SD-CD1 4.48Å; M793-N797 WeakPolarHBondContact O-CB 3.34Å; M793-N797 VanDerWaalsContact O-CG 3.29Å; M793-N797 PolarHBondContact O-N 3Å; M793-N797 PolarHBondContact O-ND2 3.14Å; M793-Y820 HydrophobicContact CE-CD1 3.97Å; M793-Y820 HydrophobicContact CE-CE1 3.57Å; M793-Y820 HydrophobicContact SD-CD1 3.87Å; M793-Y820 HydrophobicContact SD-CE1 3.65Å; M793-L823 HydrophobicContact SD-CD1 4.23Å; M793-I877 HydrophobicContact CE-CG1 4.04Å; M793-I877 HydrophobicContact SD-CG1 4.4Å; M793-I880 HydrophobicContact CE-CD1 3.37Å; M793-I880 VanDerWaalsContact CE-CD1 3.41Å |
| 794 | E | 82.2 | Confident | 71.2 | Confident | 124 Ų | 124 | 62.7 Ų | 62.7 | 58% | 0.579 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 174.1 | -75 | 172 | -170.9 | 0 | 0 | 111.7 | K790 S791 I792 N797 N798 | K790-E794 WeakPolarHBondContact O-CG 3.31Å; K790-E794 PolarHBondContact O-N 3.13Å; S791-E794 PolarHBondContact O-N 3.1Å; I792-E794 VanDerWaalsContact C-N 3.34Å; I792-E794 PolarHBondContact O-N 3.11Å; E794-N797 PolarHBondContact O-N 3.31Å; E794-N798 PolarHBondContact O-N 3.22Å; E794-N798 PolarHBondContact O-ND2 3.21Å |
| 795 | L | 78 | Confident | 69.4 | Low | 59.6667 Ų | 59.6667 | 67.5 Ų | 67.5 | 31% | 0.312 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 177.5 | -136.2 | 124.5 | 0 | 0 | 0 | 112.2 | T752 M755 S791 I792 N797 N798 Q799 | T752-L795 HydrophobicContact CG2-CD1 3.94Å; T752-L795 HydrophobicContact CG2-CD2 4.25Å; M755-L795 HydrophobicContact CB-CD2 4.06Å; M755-L795 HydrophobicContact CG-CD2 4.01Å; S791-L795 WeakPolarHBondContact O-CG 3.4Å; S791-L795 PolarHBondContact O-N 3.18Å; S791-L795 VanDerWaalsContact O-N 3.11Å; I792-L795 WeakPolarHBondContact O-CB 3.34Å; I792-L795 PolarHBondContact O-N 3Å; L795-N797 VanDerWaalsContact C-N 3.34Å; L795-N797 PolarHBondContact O-N 3.23Å; L795-N798 PolarHBondContact O-N 3.37Å; L795-Q799 PolarHBondContact O-N 3.23Å; L795-Q799 VanDerWaalsContact O-N 3.11Å |
| 796 | L | 80 | Confident | 67.6 | Low | 0.333333 Ų | 0.333333 | 73.9 Ų | 73.9 | 0% | 0.002 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 177.5 | -73.5 | 165.3 | 0 | 0 | 0 | 111.9 | M755 I792 M793 N798 Q799 S800 I819 Y820 L823 | M755-L796 HydrophobicContact CE-CD2 3.28Å; M755-L796 HydrophobicContact CE-CG 4.27Å; M755-L796 HydrophobicContact SD-CD2 4.05Å; I792-L796 HydrophobicContact CG2-CD1 3.92Å; I792-L796 HydrophobicContact CG2-CG 4.45Å; I792-L796 WeakPolarHBondContact O-CG 3.45Å; I792-L796 PolarHBondContact O-N 3.22Å; M793-L796 HydrophobicContact SD-CD1 4.48Å; L796-N798 VanDerWaalsContact C-N 3.34Å; L796-N798 PolarHBondContact O-N 3.05Å; L796-Q799 PolarHBondContact O-N 3.08Å; L796-S800 PolarHBondContact O-N 3.17Å; L796-S800 VanDerWaalsContact O-N 3.1Å; L796-I819 HydrophobicContact CD1-CG2 3.78Å; L796-I819 HydrophobicContact CD2-CD1 4.2Å; L796-I819 HydrophobicContact CD2-CG2 4.39Å; L796-Y820 HydrophobicContact CB-CE1 4.29Å; L796-Y820 WeakPolarHBondContact CB-OH 3.19Å; L796-Y820 HydrophobicContact CD1-CD1 4.22Å; L796-Y820 HydrophobicContact CD1-CE1 3.73Å; L796-L823 HydrophobicContact CD1-CD1 4.4Å |
| 797 | N | 74.6 | Confident | 66 | Low | 58 Ų | 58 | 79.2 Ų | 79.2 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 178.3 | -76.7 | -18.8 | 0 | 0 | 0 | 111.9 | M793 E794 L795 S800 N801 Y820 | M793-N797 WeakPolarHBondContact O-CB 3.34Å; M793-N797 VanDerWaalsContact O-CG 3.29Å; M793-N797 PolarHBondContact O-N 3Å; M793-N797 PolarHBondContact O-ND2 3.14Å; E794-N797 PolarHBondContact O-N 3.31Å; L795-N797 VanDerWaalsContact C-N 3.34Å; L795-N797 PolarHBondContact O-N 3.23Å; N797-S800 PolarHBondContact O-N 3.07Å; N797-S800 PolarHBondContact O-OG 3.27Å; N797-N801 PolarHBondContact O-N 3.41Å; N797-N801 PolarHBondContact O-ND2 3.16Å; N797-Y820 PolarHBondContact OD1-OH 3.05Å |
| 798 | N | 69.7 | Low | 64.9 | Low | 110 Ų | 110 | 78.6 Ų | 78.6 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 177.4 | -70.2 | -19.8 | 0 | 0 | 0 | 112 | E794 L795 L796 S800 N801 | E794-N798 PolarHBondContact O-N 3.22Å; E794-N798 PolarHBondContact O-ND2 3.21Å; L795-N798 PolarHBondContact O-N 3.37Å; L796-N798 VanDerWaalsContact C-N 3.34Å; L796-N798 PolarHBondContact O-N 3.05Å; N798-S800 VanDerWaalsContact C-N 3.32Å; N798-S800 PolarHBondContact O-N 2.98Å; N798-N801 PolarHBondContact O-N 2.98Å |
| 799 | Q | 64.3 | Low | 63.7 | Low | 77.3333 Ų | 77.3333 | 82.5 Ų | 82.5 | 36% | 0.361 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 176.9 | -72.6 | -174.5 | -16.7 | 0 | 0 | 112.6 | M755 L795 L796 N801 E802 | M755-Q799 VanDerWaalsContact CE-OE1 3.24Å; L795-Q799 PolarHBondContact O-N 3.23Å; L795-Q799 VanDerWaalsContact O-N 3.11Å; L796-Q799 PolarHBondContact O-N 3.08Å; Q799-N801 PolarHBondContact O-N 3.09Å; Q799-E802 PolarHBondContact O-N 3.3Å |
| 800 | S | 57.6 | Low | 62.5 | Low | 57.3333 Ų | 57.3333 | 84.9 Ų | 84.9 | 40% | 0.401 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67 | -19.4 | 178.5 | 73.8 | 0 | 0 | 0 | 0 | 114.5 | L796 N797 N798 | L796-S800 PolarHBondContact O-N 3.17Å; L796-S800 VanDerWaalsContact O-N 3.1Å; N797-S800 PolarHBondContact O-N 3.07Å; N797-S800 PolarHBondContact O-OG 3.27Å; N798-S800 VanDerWaalsContact C-N 3.32Å; N798-S800 PolarHBondContact O-N 2.98Å |
| 801 | N | 48 | Very low | 61.7 | Low | 124.25 Ų | 124.25 | 82.7 Ų | 82.7 | 66% | 0.664 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -13.7 | -178.8 | -74.9 | -30.3 | 0 | 0 | 0 | 114.1 | N797 N798 Q799 K803 | N797-N801 PolarHBondContact O-N 3.41Å; N797-N801 PolarHBondContact O-ND2 3.16Å; N798-N801 PolarHBondContact O-N 2.98Å; Q799-N801 PolarHBondContact O-N 3.09Å; N801-K803 PolarHBondContact O-N 3.21Å; N801-K803 VanDerWaalsContact O-N 3.15Å |
| 802 | E | 40.5 | Very low | 61.4 | Low | 155.25 Ų | 155.25 | 83.9 Ų | 83.9 | 73% | 0.725 | 46% | 0.455 | S | S | * | . | trans | -82 | 111.8 | -178.8 | -70.7 | -166.3 | 163.4 | 0 | 0 | 111.4 | Q799 S804 | Q799-E802 PolarHBondContact O-N 3.3Å; E802-S804 VanDerWaalsContact C-N 3.29Å; E802-S804 PolarHBondContact O-N 3.26Å | ||
| 803 | K | 37 | Very low | 61.3 | Low | 211.5 Ų | 211.5 | 84.1 Ų | 84.1 | 92% | 0.92 | 46% | 0.457 | S | S | * | . | trans | -67.9 | 84.4 | 179 | -63.4 | 176.9 | 179.8 | 178.5 | 0 | 110.8 | N801 T805 | N801-K803 PolarHBondContact O-N 3.21Å; N801-K803 VanDerWaalsContact O-N 3.15Å; K803-T805 PolarHBondContact O-N 2.67Å; K803-T805 VanDerWaalsContact O-N 3.08Å | ||
| 804 | S | 36.7 | Very low | 61.3 | Low | 70.75 Ų | 70.75 | 86.5 Ų | 86.5 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | trans | -103.2 | 137.2 | 168.3 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | E802 D806 I809 | E802-S804 VanDerWaalsContact C-N 3.29Å; E802-S804 PolarHBondContact O-N 3.26Å; S804-D806 PolarHBondContact O-N 3.44Å; S804-I809 WeakPolarHBondContact O-CD1 3.46Å; S804-I809 VanDerWaalsContact O-CG1 3.27Å; S804-I809 WeakPolarHBondContact O-CG1 3.36Å | ||
| 805 | T | 40.1 | Very low | 61.4 | Low | 122.5 Ų | 122.5 | 81.8 Ų | 81.8 | 75% | 0.752 | 45% | 0.445 | S | S | * | . | trans | -80 | 75.9 | -159.6 | 45.3 | 0 | 0 | 0 | 0 | 116.4 | K803 I807 S808 | K803-T805 PolarHBondContact O-N 2.67Å; K803-T805 VanDerWaalsContact O-N 3.08Å; T805-I807 PolarHBondContact O-N 3.09Å; T805-I807 VanDerWaalsContact O-N 3.16Å; T805-S808 PolarHBondContact O-N 2.73Å; T805-S808 PolarHBondContact O-OG 2.97Å; T805-S808 VanDerWaalsContact O-OG 3.05Å | ||
| 806 | D | 46.4 | Very low | 61.7 | Low | 138 Ų | 138 | 79.8 Ų | 79.8 | 74% | 0.738 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -22.2 | -177 | -64.5 | -18.6 | 0 | 0 | 0 | 118.6 | S804 S808 I809 | S804-D806 PolarHBondContact O-N 3.44Å; D806-S808 PolarHBondContact O-N 3.04Å; D806-I809 WeakPolarHBondContact O-CG1 3.18Å; D806-I809 PolarHBondContact O-N 3.33Å |
| 807 | I | 47.8 | Very low | 62 | Low | 123 Ų | 123 | 79.9 Ų | 79.9 | 63% | 0.631 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -19.9 | -178.3 | -60 | 172.5 | 0 | 0 | 0 | 112.3 | T805 I809 A810 T811 T812 | T805-I807 PolarHBondContact O-N 3.09Å; T805-I807 VanDerWaalsContact O-N 3.16Å; I807-I809 VanDerWaalsContact C-N 3.25Å; I807-I809 PolarHBondContact O-N 3.19Å; I807-A810 PolarHBondContact O-N 3.39Å; I807-T811 WeakPolarHBondContact CG2-OG1 3.46Å; I807-T812 HydrophobicContact CB-CG2 3.71Å; I807-T812 HydrophobicContact CD1-CG2 4.38Å; I807-T812 HydrophobicContact CG2-CG2 3.4Å; I807-T812 VanDerWaalsContact CG2-CG2 3.4Å |
| 808 | S | 57 | Low | 62.6 | Low | 60.25 Ų | 60.25 | 77.9 Ų | 77.9 | 42% | 0.421 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.1 | -12.3 | 173.8 | 64 | 0 | 0 | 0 | 0 | 112.6 | T805 D806 A810 T811 T812 | T805-S808 PolarHBondContact O-N 2.73Å; T805-S808 PolarHBondContact O-OG 2.97Å; T805-S808 VanDerWaalsContact O-OG 3.05Å; D806-S808 PolarHBondContact O-N 3.04Å; S808-A810 PolarHBondContact O-N 3.15Å; S808-A810 VanDerWaalsContact O-N 3.13Å; S808-T811 PolarHBondContact N-OG1 3.22Å; S808-T811 PolarHBondContact O-N 2.73Å; S808-T811 PolarHBondContact O-OG1 3.17Å; S808-T811 VanDerWaalsContact O-OG1 3.05Å; S808-T811 WeakPolarHBondContact OG-CG2 3.33Å; S808-T811 PolarHBondContact OG-N 2.8Å; S808-T811 PolarHBondContact OG-OG1 3.21Å; S808-T812 WeakPolarHBondContact O-CG2 3.29Å; S808-T812 PolarHBondContact O-N 3.1Å; S808-T812 VanDerWaalsContact O-N 3.1Å; S808-T812 PolarHBondContact O-OG1 3.15Å; S808-T812 VanDerWaalsContact O-OG1 3.1Å |
| 809 | I | 58.8 | Low | 63.5 | Low | 84.5 Ų | 84.5 | 72.7 Ų | 72.7 | 43% | 0.433 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | -179.9 | -57.1 | 170.4 | 0 | 0 | 0 | 111.2 | S804 D806 I807 T811 T812 V813 | S804-I809 WeakPolarHBondContact O-CD1 3.46Å; S804-I809 VanDerWaalsContact O-CG1 3.27Å; S804-I809 WeakPolarHBondContact O-CG1 3.36Å; D806-I809 WeakPolarHBondContact O-CG1 3.18Å; D806-I809 PolarHBondContact O-N 3.33Å; I807-I809 VanDerWaalsContact C-N 3.25Å; I807-I809 PolarHBondContact O-N 3.19Å; I809-T811 VanDerWaalsContact C-N 3.31Å; I809-T811 PolarHBondContact O-N 3.05Å; I809-T812 VanDerWaalsContact CA-OG1 3.29Å; I809-T812 WeakPolarHBondContact CA-OG1 3.39Å; I809-T812 PolarHBondContact O-N 3.38Å; I809-T812 PolarHBondContact O-OG1 3.13Å; I809-V813 HydrophobicContact CG2-CG2 3.96Å; I809-V813 WeakPolarHBondContact O-CB 3.25Å; I809-V813 WeakPolarHBondContact O-CG2 3.27Å; I809-V813 PolarHBondContact O-N 3.26Å |
| 810 | A | 60.3 | Low | 64.6 | Low | 50.75 Ų | 50.75 | 69.3 Ų | 69.3 | 42% | 0.419 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I807 S808 V813 E814 | I807-A810 PolarHBondContact O-N 3.39Å; S808-A810 PolarHBondContact O-N 3.15Å; S808-A810 VanDerWaalsContact O-N 3.13Å; A810-V813 PolarHBondContact O-N 3.44Å; A810-E814 PolarHBondContact O-N 3.05Å; A810-E814 VanDerWaalsContact O-N 3.09Å |
| 811 | T | 68.6 | Low | 66 | Low | 65.75 Ų | 65.75 | 66.6 Ų | 66.6 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.5 | -43.1 | 177.4 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | I807 S808 I809 V813 E814 Y815 | I807-T811 WeakPolarHBondContact CG2-OG1 3.46Å; S808-T811 PolarHBondContact N-OG1 3.22Å; S808-T811 PolarHBondContact O-N 2.73Å; S808-T811 PolarHBondContact O-OG1 3.17Å; S808-T811 VanDerWaalsContact O-OG1 3.05Å; S808-T811 WeakPolarHBondContact OG-CG2 3.33Å; S808-T811 PolarHBondContact OG-N 2.8Å; S808-T811 PolarHBondContact OG-OG1 3.21Å; I809-T811 VanDerWaalsContact C-N 3.31Å; I809-T811 PolarHBondContact O-N 3.05Å; T811-V813 VanDerWaalsContact C-N 3.31Å; T811-V813 PolarHBondContact O-N 3.12Å; T811-E814 WeakPolarHBondContact O-CB 3.26Å; T811-E814 PolarHBondContact O-N 3.08Å; T811-E814 VanDerWaalsContact O-N 3.11Å; T811-Y815 WeakPolarHBondContact O-CD2 3.39Å; T811-Y815 PolarHBondContact O-N 3.27Å |
| 812 | T | 74.6 | Confident | 67.8 | Low | 44.5 Ų | 44.5 | 60.7 Ų | 60.7 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | I807 S808 I809 E814 Y815 H816 | I807-T812 HydrophobicContact CB-CG2 3.71Å; I807-T812 HydrophobicContact CD1-CG2 4.38Å; I807-T812 HydrophobicContact CG2-CG2 3.4Å; I807-T812 VanDerWaalsContact CG2-CG2 3.4Å; S808-T812 WeakPolarHBondContact O-CG2 3.29Å; S808-T812 PolarHBondContact O-N 3.1Å; S808-T812 VanDerWaalsContact O-N 3.1Å; S808-T812 PolarHBondContact O-OG1 3.15Å; S808-T812 VanDerWaalsContact O-OG1 3.1Å; I809-T812 VanDerWaalsContact CA-OG1 3.29Å; I809-T812 WeakPolarHBondContact CA-OG1 3.39Å; I809-T812 PolarHBondContact O-N 3.38Å; I809-T812 PolarHBondContact O-OG1 3.13Å; T812-E814 VanDerWaalsContact C-N 3.33Å; T812-E814 PolarHBondContact O-N 3.17Å; T812-Y815 PolarHBondContact O-N 3.28Å; T812-H816 PolarHBondContact O-CD2 2.87Å; T812-H816 PolarHBondContact O-N 3.31Å; T812-H816 VanDerWaalsContact O-N 3.11Å; T812-H816 PolarHBondContact O-ND1 3.1Å |
| 813 | V | 81 | Confident | 70.1 | Confident | 12.75 Ų | 12.75 | 53.3 Ų | 53.3 | 8% | 0.077 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | I809 A810 T811 Y815 H816 I817 L884 L894 | I809-V813 HydrophobicContact CG2-CG2 3.96Å; I809-V813 WeakPolarHBondContact O-CB 3.25Å; I809-V813 WeakPolarHBondContact O-CG2 3.27Å; I809-V813 PolarHBondContact O-N 3.26Å; A810-V813 PolarHBondContact O-N 3.44Å; T811-V813 VanDerWaalsContact C-N 3.31Å; T811-V813 PolarHBondContact O-N 3.12Å; V813-Y815 VanDerWaalsContact C-N 3.34Å; V813-Y815 PolarHBondContact O-N 2.9Å; V813-H816 PolarHBondContact O-N 3.19Å; V813-I817 HydrophobicContact CG1-CD1 3.73Å; V813-I817 HydrophobicContact CG1-CG1 4.29Å; V813-I817 WeakPolarHBondContact O-CD1 3.42Å; V813-I817 VanDerWaalsContact O-CG1 3.26Å; V813-I817 WeakPolarHBondContact O-CG1 3.36Å; V813-I817 PolarHBondContact O-N 3.33Å; V813-L884 HydrophobicContact CG1-CD2 4.4Å; V813-L894 HydrophobicContact CB-CD1 4.48Å; V813-L894 HydrophobicContact CG1-CD1 4.11Å; V813-L894 HydrophobicContact CG1-CD2 4.38Å |
| 814 | E | 83.2 | Confident | 72.4 | Confident | 67 Ų | 67 | 43.2 Ų | 43.2 | 31% | 0.313 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 175.9 | -148.3 | 178.5 | 178.6 | 0 | 0 | 111.8 | P763 A810 T811 T812 H816 I817 M818 L894 | P763-E814 HydrophobicContact CB-CG 4.18Å; P763-E814 HydrophobicContact CG-CG 4.18Å; A810-E814 PolarHBondContact O-N 3.05Å; A810-E814 VanDerWaalsContact O-N 3.09Å; T811-E814 WeakPolarHBondContact O-CB 3.26Å; T811-E814 PolarHBondContact O-N 3.08Å; T811-E814 VanDerWaalsContact O-N 3.11Å; T812-E814 VanDerWaalsContact C-N 3.33Å; T812-E814 PolarHBondContact O-N 3.17Å; E814-H816 PolarHBondContact O-N 3.05Å; E814-I817 PolarHBondContact O-N 2.99Å; E814-M818 VanDerWaalsContact O-CG 3.29Å; E814-M818 WeakPolarHBondContact O-CG 3.32Å; E814-M818 PolarHBondContact O-N 3.14Å; E814-M818 VanDerWaalsContact O-N 3.08Å; E814-L894 HydrophobicContact CB-CD2 3.94Å; E814-L894 HydrophobicContact CG-CD2 3.99Å |
| 815 | Y | 84.4 | Confident | 74.8 | Confident | 24.5 Ų | 24.5 | 40.4 Ų | 40.4 | 10% | 0.096 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 174.7 | -68.3 | -76 | 0 | 0 | 0 | 112 | L758 L761 P763 V766 T811 T812 V813 I817 M818 I819 | L758-Y815 HydrophobicContact CB-CD1 4.33Å; L758-Y815 HydrophobicContact CB-CD2 4.39Å; L758-Y815 HydrophobicContact CB-CE1 4.41Å; L758-Y815 HydrophobicContact CB-CG 4.28Å; L758-Y815 HydrophobicContact CD1-CG 4.38Å; L758-Y815 HydrophobicContact CD2-CD1 3.98Å; L758-Y815 HydrophobicContact CD2-CG 4.23Å; L758-Y815 WeakPolarHBondContact O-CE1 3.21Å; L758-Y815 VanDerWaalsContact O-CZ 3.31Å; L758-Y815 PolarHBondContact O-OH 3.15Å; L761-Y815 VanDerWaalsContact O-CE1 3.26Å; L761-Y815 WeakPolarHBondContact O-CE1 3.21Å; L761-Y815 VanDerWaalsContact O-CZ 3.29Å; L761-Y815 PolarHBondContact O-OH 3Å; P763-Y815 HydrophobicContact CB-CD1 4.34Å; P763-Y815 HydrophobicContact CB-CE1 4.31Å; P763-Y815 HydrophobicContact CG-CD1 4.27Å; P763-Y815 HydrophobicContact CG-CE1 3.87Å; V766-Y815 HydrophobicContact CB-CD1 4.28Å; V766-Y815 HydrophobicContact CG2-CD1 3.81Å; V766-Y815 HydrophobicContact CG2-CE1 3.97Å; T811-Y815 WeakPolarHBondContact O-CD2 3.39Å; T811-Y815 PolarHBondContact O-N 3.27Å; T812-Y815 PolarHBondContact O-N 3.28Å; V813-Y815 VanDerWaalsContact C-N 3.34Å; V813-Y815 PolarHBondContact O-N 2.9Å; Y815-I817 VanDerWaalsContact C-N 3.34Å; Y815-I817 PolarHBondContact O-N 3.26Å; Y815-M818 WeakPolarHBondContact O-CB 3.38Å; Y815-M818 PolarHBondContact O-N 3.07Å; Y815-M818 VanDerWaalsContact O-N 3.16Å; Y815-I819 WeakPolarHBondContact O-CD1 3.37Å; Y815-I819 VanDerWaalsContact O-CG1 3.26Å; Y815-I819 WeakPolarHBondContact O-CG1 3.28Å; Y815-I819 PolarHBondContact O-N 3.21Å |
| 816 | H | 85.3 | Confident | 76.9 | Confident | 18.5 Ų | 18.5 | 34.5 Ų | 34.5 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 177.8 | -66.9 | 178.1 | 0 | 0 | 0 | 112 | T812 V813 E814 M818 I819 Y820 | T812-H816 PolarHBondContact O-CD2 2.87Å; T812-H816 PolarHBondContact O-N 3.31Å; T812-H816 VanDerWaalsContact O-N 3.11Å; T812-H816 PolarHBondContact O-ND1 3.1Å; V813-H816 PolarHBondContact O-N 3.19Å; E814-H816 PolarHBondContact O-N 3.05Å; H816-M818 VanDerWaalsContact C-N 3.31Å; H816-M818 PolarHBondContact O-N 3.19Å; H816-I819 PolarHBondContact O-N 3.21Å; H816-Y820 HydrophobicContact CB-CD2 4.34Å; H816-Y820 HydrophobicContact CB-CE2 4.1Å; H816-Y820 WeakPolarHBondContact O-CB 3.35Å; H816-Y820 WeakPolarHBondContact O-CD2 3.36Å; H816-Y820 PolarHBondContact O-N 3.34Å |
| 817 | I | 86.3 | Confident | 78.7 | Confident | 0.75 Ų | 0.75 | 28 Ų | 28 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 176.7 | -65.4 | 159.9 | 0 | 0 | 0 | 110.6 | V813 E814 Y815 I819 G821 L881 L884 L894 V898 Q901 | V813-I817 HydrophobicContact CG1-CD1 3.73Å; V813-I817 HydrophobicContact CG1-CG1 4.29Å; V813-I817 WeakPolarHBondContact O-CD1 3.42Å; V813-I817 VanDerWaalsContact O-CG1 3.26Å; V813-I817 WeakPolarHBondContact O-CG1 3.36Å; V813-I817 PolarHBondContact O-N 3.33Å; E814-I817 PolarHBondContact O-N 2.99Å; Y815-I817 VanDerWaalsContact C-N 3.34Å; Y815-I817 PolarHBondContact O-N 3.26Å; I817-I819 PolarHBondContact O-N 2.94Å; I817-G821 PolarHBondContact O-N 3.26Å; I817-L881 HydrophobicContact CG2-CD2 4.17Å; I817-L884 HydrophobicContact CG1-CB 4.49Å; I817-L884 HydrophobicContact CG1-CD1 3.97Å; I817-L894 HydrophobicContact CD1-CB 4.38Å; I817-L894 HydrophobicContact CD1-CD2 4.2Å; I817-V898 HydrophobicContact CB-CG2 4.49Å; I817-V898 HydrophobicContact CD1-CG2 3.61Å; I817-V898 HydrophobicContact CG1-CG2 3.8Å; I817-V898 HydrophobicContact CG2-CB 4.49Å; I817-V898 HydrophobicContact CG2-CG2 3.84Å; I817-Q901 HydrophobicContact CG2-CG 4.09Å |
| 818 | M | 87.3 | Confident | 80.4 | Confident | 16.75 Ų | 16.75 | 22.2 Ų | 22.2 | 8% | 0.083 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 178.5 | -70.9 | -57.4 | 111 | 0 | 0 | 112.8 | P763 R767 E814 Y815 H816 A822 T897 Q901 | P763-M818 HydrophobicContact CB-CG 3.94Å; R767-M818 HydrophobicContact CB-CB 4.09Å; R767-M818 HydrophobicContact CB-CG 4.5Å; R767-M818 HydrophobicContact CB-SD 4.34Å; E814-M818 VanDerWaalsContact O-CG 3.29Å; E814-M818 WeakPolarHBondContact O-CG 3.32Å; E814-M818 PolarHBondContact O-N 3.14Å; E814-M818 VanDerWaalsContact O-N 3.08Å; Y815-M818 WeakPolarHBondContact O-CB 3.38Å; Y815-M818 PolarHBondContact O-N 3.07Å; Y815-M818 VanDerWaalsContact O-N 3.16Å; H816-M818 VanDerWaalsContact C-N 3.31Å; H816-M818 PolarHBondContact O-N 3.19Å; M818-A822 WeakPolarHBondContact O-CB 3.25Å; M818-A822 PolarHBondContact O-N 3.03Å; M818-T897 HydrophobicContact CE-CG2 3.95Å; M818-Q901 HydrophobicContact CE-CG 3.98Å |
| 819 | I | 87.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.8 | -48.9 | 178.4 | -65.5 | 158.9 | 0 | 0 | 0 | 110.7 | M755 L758 V766 F770 L796 Y815 H816 I817 G821 A822 L823 | M755-I819 HydrophobicContact CE-CD1 4.08Å; M755-I819 HydrophobicContact SD-CD1 3.36Å; M755-I819 WeakPolarHBondContact SD-CD1 3.37Å; L758-I819 HydrophobicContact CD2-CD1 4.4Å; V766-I819 HydrophobicContact CG1-CD1 4.02Å; V766-I819 HydrophobicContact CG1-CG1 3.67Å; F770-I819 HydrophobicContact CD1-CG2 3.78Å; F770-I819 HydrophobicContact CD2-CG1 4.01Å; F770-I819 HydrophobicContact CE1-CG2 3.66Å; F770-I819 HydrophobicContact CE2-CD1 4.18Å; F770-I819 HydrophobicContact CE2-CG1 3.88Å; F770-I819 HydrophobicContact CE2-CG2 4.46Å; F770-I819 HydrophobicContact CG-CG1 4.4Å; F770-I819 HydrophobicContact CG-CG2 4.24Å; F770-I819 HydrophobicContact CZ-CD1 4.27Å; F770-I819 HydrophobicContact CZ-CG1 4.15Å; F770-I819 HydrophobicContact CZ-CG2 4.03Å; L796-I819 HydrophobicContact CD1-CG2 3.78Å; L796-I819 HydrophobicContact CD2-CD1 4.2Å; L796-I819 HydrophobicContact CD2-CG2 4.39Å; Y815-I819 WeakPolarHBondContact O-CD1 3.37Å; Y815-I819 VanDerWaalsContact O-CG1 3.26Å; Y815-I819 WeakPolarHBondContact O-CG1 3.28Å; Y815-I819 PolarHBondContact O-N 3.21Å; H816-I819 PolarHBondContact O-N 3.21Å; I817-I819 PolarHBondContact O-N 2.94Å; I819-G821 VanDerWaalsContact C-N 3.28Å; I819-G821 PolarHBondContact O-N 3.23Å; I819-A822 PolarHBondContact O-N 3.3Å; I819-L823 HydrophobicContact CG2-CD1 3.97Å; I819-L823 HydrophobicContact CG2-CG 4.38Å; I819-L823 WeakPolarHBondContact O-CG 3.35Å; I819-L823 PolarHBondContact O-N 3.27Å |
| 820 | Y | 88.3 | Confident | 82.4 | Confident | 7 Ų | 7 | 17 Ų | 17 | 3% | 0.027 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 176.5 | -72.9 | -52.7 | 0 | 0 | 0 | 111.6 | M793 L796 N797 H816 L823 G824 I877 I880 L884 | M793-Y820 HydrophobicContact CE-CD1 3.97Å; M793-Y820 HydrophobicContact CE-CE1 3.57Å; M793-Y820 HydrophobicContact SD-CD1 3.87Å; M793-Y820 HydrophobicContact SD-CE1 3.65Å; L796-Y820 HydrophobicContact CB-CE1 4.29Å; L796-Y820 WeakPolarHBondContact CB-OH 3.19Å; L796-Y820 HydrophobicContact CD1-CD1 4.22Å; L796-Y820 HydrophobicContact CD1-CE1 3.73Å; N797-Y820 PolarHBondContact OD1-OH 3.05Å; H816-Y820 HydrophobicContact CB-CD2 4.34Å; H816-Y820 HydrophobicContact CB-CE2 4.1Å; H816-Y820 WeakPolarHBondContact O-CB 3.35Å; H816-Y820 WeakPolarHBondContact O-CD2 3.36Å; H816-Y820 PolarHBondContact O-N 3.34Å; Y820-L823 PolarHBondContact O-N 3.39Å; Y820-G824 PolarHBondContact O-N 3.1Å; Y820-I877 VanDerWaalsContact O-CG2 3.26Å; Y820-I877 WeakPolarHBondContact O-CG2 3.36Å; Y820-I880 HydrophobicContact CD1-CG2 4.36Å; Y820-I880 HydrophobicContact CD2-CG2 3.84Å; Y820-I880 HydrophobicContact CE1-CD1 4.24Å; Y820-I880 HydrophobicContact CE1-CG2 4.08Å; Y820-I880 HydrophobicContact CE2-CG2 3.52Å; Y820-I880 VanDerWaalsContact CE2-CG2 3.5Å; Y820-I880 HydrophobicContact CG-CG2 4.26Å; Y820-L884 HydrophobicContact CD2-CD1 3.92Å; Y820-L884 HydrophobicContact CE2-CD1 4.03Å |
| 821 | G | 86.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | I817 I819 L823 G824 C825 Q901 | I817-G821 PolarHBondContact O-N 3.26Å; I819-G821 VanDerWaalsContact C-N 3.28Å; I819-G821 PolarHBondContact O-N 3.23Å; G821-L823 PolarHBondContact O-N 3.45Å; G821-G824 PolarHBondContact O-N 3.23Å; G821-C825 WeakPolarHBondContact O-CB 3.32Å; G821-C825 PolarHBondContact O-N 3.24Å; G821-C825 PolarHBondContact O-SG 3.28Å; G821-Q901 VanDerWaalsContact CA-OE1 3.3Å |
| 822 | A | 86.5 | Confident | 83.2 | Confident | 0.5 Ų | 0.5 | 12.8 Ų | 12.8 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R767 F770 C771 M818 I819 G824 C825 C826 | R767-A822 HydrophobicContact CG-CB 4.22Å; F770-A822 HydrophobicContact CB-CB 3.78Å; C771-A822 HydrophobicContact CB-CB 4.28Å; M818-A822 WeakPolarHBondContact O-CB 3.25Å; M818-A822 PolarHBondContact O-N 3.03Å; I819-A822 PolarHBondContact O-N 3.3Å; A822-G824 VanDerWaalsContact C-N 3.34Å; A822-G824 PolarHBondContact O-N 3.24Å; A822-C825 PolarHBondContact O-N 3.32Å; A822-C826 PolarHBondContact O-N 3.3Å; A822-C826 VanDerWaalsContact O-N 3.11Å |
| 823 | L | 87.4 | Confident | 82.9 | Confident | 0.25 Ų | 0.25 | 14.2 Ų | 14.2 | 0% | 0.001 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 178.3 | -67.7 | 176.5 | 0 | 0 | 0 | 111.6 | F770 S774 W785 I792 M793 L796 I819 Y820 G821 C826 L827 I877 | F770-L823 HydrophobicContact CD1-CD2 4.24Å; F770-L823 HydrophobicContact CD1-CG 4.44Å; S774-L823 WeakPolarHBondContact OG-CD2 2.83Å; W785-L823 HydrophobicContact CH2-CD2 3.94Å; W785-L823 HydrophobicContact CZ2-CD2 3.89Å; I792-L823 HydrophobicContact CG2-CD1 4.03Å; M793-L823 HydrophobicContact SD-CD1 4.23Å; L796-L823 HydrophobicContact CD1-CD1 4.4Å; I819-L823 HydrophobicContact CG2-CD1 3.97Å; I819-L823 HydrophobicContact CG2-CG 4.38Å; I819-L823 WeakPolarHBondContact O-CG 3.35Å; I819-L823 PolarHBondContact O-N 3.27Å; Y820-L823 PolarHBondContact O-N 3.39Å; G821-L823 PolarHBondContact O-N 3.45Å; L823-C826 PolarHBondContact O-N 3.11Å; L823-L827 WeakPolarHBondContact O-CG 3.15Å; L823-L827 PolarHBondContact O-N 3.09Å; L823-L827 VanDerWaalsContact O-N 3.09Å; L823-I877 HydrophobicContact CB-CD1 4.08Å |
| 824 | G | 86.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y820 G821 A822 C826 L827 A828 L905 | Y820-G824 PolarHBondContact O-N 3.1Å; G821-G824 PolarHBondContact O-N 3.23Å; A822-G824 VanDerWaalsContact C-N 3.34Å; A822-G824 PolarHBondContact O-N 3.24Å; G824-C826 VanDerWaalsContact C-N 3.32Å; G824-C826 PolarHBondContact O-N 3.12Å; G824-L827 PolarHBondContact O-N 3.15Å; G824-A828 WeakPolarHBondContact O-CB 3.39Å; G824-A828 PolarHBondContact O-N 3.2Å; G824-L905 VanDerWaalsContact O-CD2 3.29Å; G824-L905 WeakPolarHBondContact O-CD2 3.37Å |
| 825 | C | 87.1 | Confident | 81.1 | Confident | 10.5 Ų | 10.5 | 16.6 Ų | 16.6 | 7% | 0.071 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 179.4 | -74.1 | 0 | 0 | 0 | 0 | 111.8 | G821 A822 A828 S829 L905 L908 | G821-C825 WeakPolarHBondContact O-CB 3.32Å; G821-C825 PolarHBondContact O-N 3.24Å; G821-C825 PolarHBondContact O-SG 3.28Å; A822-C825 PolarHBondContact O-N 3.32Å; C825-A828 PolarHBondContact O-N 3.07Å; C825-S829 PolarHBondContact O-N 2.96Å; C825-S829 VanDerWaalsContact O-N 3.09Å; C825-S829 PolarHBondContact O-OG 3.28Å; C825-L905 HydrophobicContact CB-CD2 4.48Å; C825-L905 VanDerWaalsContact N-CD2 3.27Å; C825-L908 HydrophobicContact CB-CD1 3.48Å; C825-L908 VanDerWaalsContact CB-CD1 3.48Å |
| 826 | C | 84 | Confident | 80 | Confident | 0.25 Ų | 0.25 | 20.6 Ų | 20.6 | 0% | 0.002 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62 | -48.4 | 174 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | S774 N775 S778 A822 L823 G824 A828 S829 C830 | S774-C826 VanDerWaalsContact C-SG 3.53Å; S774-C826 PolarHBondContact O-SG 3.17Å; S774-C826 WeakPolarHBondContact OG-CB 3.32Å; N775-C826 PolarHBondContact OD1-SG 2.98Å; N775-C826 VanDerWaalsContact OD1-SG 3.35Å; S778-C826 PolarHBondContact OG-SG 2.71Å; S778-C826 VanDerWaalsContact OG-SG 3.32Å; A822-C826 PolarHBondContact O-N 3.3Å; A822-C826 VanDerWaalsContact O-N 3.11Å; L823-C826 PolarHBondContact O-N 3.11Å; G824-C826 VanDerWaalsContact C-N 3.32Å; G824-C826 PolarHBondContact O-N 3.12Å; C826-A828 VanDerWaalsContact C-N 3.34Å; C826-A828 PolarHBondContact O-N 3.08Å; C826-S829 PolarHBondContact O-N 3.35Å; C826-S829 PolarHBondContact O-OG 3.15Å; C826-C830 PolarHBondContact O-N 3.25Å; C826-C830 PolarHBondContact O-SG 3.32Å; C826-C830 VanDerWaalsContact O-SG 3.37Å |
| 827 | L | 84.4 | Confident | 78.3 | Confident | 1.25 Ų | 1.25 | 23.6 Ų | 23.6 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 177.4 | -73.3 | 170 | 0 | 0 | 0 | 112.9 | W785 H789 L823 G824 S829 C830 Y831 V870 L873 V874 I877 | W785-L827 HydrophobicContact CE3-CD2 4.44Å; W785-L827 HydrophobicContact CH2-CD1 3.78Å; W785-L827 HydrophobicContact CH2-CD2 3.53Å; W785-L827 HydrophobicContact CH2-CG 3.5Å; W785-L827 HydrophobicContact CZ2-CD2 4.48Å; W785-L827 HydrophobicContact CZ2-CG 4.27Å; W785-L827 HydrophobicContact CZ3-CD1 4.38Å; W785-L827 HydrophobicContact CZ3-CD2 3.53Å; W785-L827 HydrophobicContact CZ3-CG 4.07Å; H789-L827 VanDerWaalsContact NE2-CD1 3.34Å; H789-L827 WeakPolarHBondContact NE2-CD1 3.47Å; L823-L827 WeakPolarHBondContact O-CG 3.15Å; L823-L827 PolarHBondContact O-N 3.09Å; L823-L827 VanDerWaalsContact O-N 3.09Å; G824-L827 PolarHBondContact O-N 3.15Å; L827-S829 VanDerWaalsContact C-N 3.35Å; L827-C830 PolarHBondContact O-N 3.18Å; L827-Y831 WeakPolarHBondContact O-CB 3.39Å; L827-Y831 PolarHBondContact O-N 3.09Å; L827-V870 HydrophobicContact CB-CG1 4.41Å; L827-V870 HydrophobicContact CD2-CG1 4.14Å; L827-V870 WeakPolarHBondContact O-CG1 3.32Å; L827-L873 HydrophobicContact CD1-CB 3.6Å; L827-L873 HydrophobicContact CD1-CD1 4.41Å; L827-L873 HydrophobicContact CD2-CB 4.17Å; L827-L873 HydrophobicContact CD2-CD1 4.25Å; L827-L873 HydrophobicContact CG-CB 4.46Å; L827-V874 HydrophobicContact CB-CG2 3.53Å; L827-V874 VanDerWaalsContact CB-CG2 3.45Å; L827-V874 HydrophobicContact CD1-CG2 4.4Å; L827-V874 HydrophobicContact CG-CG2 4.46Å; L827-I877 HydrophobicContact CD1-CD1 3.6Å; L827-I877 VanDerWaalsContact CD1-CD1 3.44Å |
| 828 | A | 82.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G824 C825 C826 C830 Y831 T832 L905 L908 L909 | G824-A828 WeakPolarHBondContact O-CB 3.39Å; G824-A828 PolarHBondContact O-N 3.2Å; C825-A828 PolarHBondContact O-N 3.07Å; C826-A828 VanDerWaalsContact C-N 3.34Å; C826-A828 PolarHBondContact O-N 3.08Å; A828-C830 PolarHBondContact O-N 2.98Å; A828-Y831 WeakPolarHBondContact O-CB 3.25Å; A828-Y831 PolarHBondContact O-N 3.09Å; A828-T832 PolarHBondContact O-N 3.01Å; A828-T832 PolarHBondContact O-OG1 3.16Å; A828-L905 HydrophobicContact CB-CD2 4.19Å; A828-L908 HydrophobicContact CB-CB 3.96Å; A828-L909 HydrophobicContact CB-CD2 3.87Å; A828-L909 HydrophobicContact CB-CG 4Å |
| 829 | S | 80.9 | Confident | 73.8 | Confident | 26.75 Ų | 26.75 | 35.2 Ų | 35.2 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.7 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | C825 C826 L827 Y831 T832 D833 | C825-S829 PolarHBondContact O-N 2.96Å; C825-S829 VanDerWaalsContact O-N 3.09Å; C825-S829 PolarHBondContact O-OG 3.28Å; C826-S829 PolarHBondContact O-N 3.35Å; C826-S829 PolarHBondContact O-OG 3.15Å; L827-S829 VanDerWaalsContact C-N 3.35Å; S829-Y831 VanDerWaalsContact C-N 3.31Å; S829-Y831 PolarHBondContact O-N 3.14Å; S829-T832 WeakPolarHBondContact CA-OG1 3.29Å; S829-T832 PolarHBondContact O-N 3.02Å; S829-T832 PolarHBondContact O-OG1 3.04Å; S829-D833 WeakPolarHBondContact O-CB 3.32Å; S829-D833 PolarHBondContact O-N 3.08Å |
| 830 | C | 77.2 | Confident | 71 | Confident | 9.5 Ų | 9.5 | 41.5 Ų | 41.5 | 6% | 0.064 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | L782 C826 L827 A828 D833 F834 V870 | L782-C830 HydrophobicContact CD1-CB 3.92Å; L782-C830 VanDerWaalsContact CD1-SG 3.6Å; C826-C830 PolarHBondContact O-N 3.25Å; C826-C830 PolarHBondContact O-SG 3.32Å; C826-C830 VanDerWaalsContact O-SG 3.37Å; L827-C830 PolarHBondContact O-N 3.18Å; A828-C830 PolarHBondContact O-N 2.98Å; C830-D833 PolarHBondContact O-N 3.29Å; C830-F834 VanDerWaalsContact O-CD2 3.25Å; C830-F834 WeakPolarHBondContact O-CD2 3.2Å; C830-F834 PolarHBondContact O-N 3.25Å; C830-V870 HydrophobicContact CB-CG1 4.43Å |
| 831 | Y | 75.8 | Confident | 68 | Low | 12.75 Ų | 12.75 | 49.7 Ų | 49.7 | 5% | 0.05 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 176.6 | 176 | -105.9 | 0 | 0 | 0 | 111.7 | L827 A828 S829 D833 F834 M835 I871 L909 E1116 | L827-Y831 WeakPolarHBondContact O-CB 3.39Å; L827-Y831 PolarHBondContact O-N 3.09Å; A828-Y831 WeakPolarHBondContact O-CB 3.25Å; A828-Y831 PolarHBondContact O-N 3.09Å; S829-Y831 VanDerWaalsContact C-N 3.31Å; S829-Y831 PolarHBondContact O-N 3.14Å; Y831-D833 VanDerWaalsContact C-N 3.32Å; Y831-D833 PolarHBondContact O-N 3.07Å; Y831-F834 WeakPolarHBondContact O-CB 3.22Å; Y831-F834 PolarHBondContact O-N 3.2Å; Y831-F834 VanDerWaalsContact O-N 3.15Å; Y831-M835 HydrophobicContact CD1-CG 4.33Å; Y831-M835 HydrophobicContact CD2-CG 4.21Å; Y831-M835 HydrophobicContact CD2-SD 4.5Å; Y831-M835 HydrophobicContact CE1-CG 3.9Å; Y831-M835 HydrophobicContact CE2-CG 3.73Å; Y831-M835 HydrophobicContact CE2-SD 3.99Å; Y831-M835 HydrophobicContact CG-CG 4.42Å; Y831-M835 VanDerWaalsContact O-CG 3.28Å; Y831-M835 WeakPolarHBondContact O-CG 3.41Å; Y831-M835 PolarHBondContact O-N 3.01Å; Y831-M835 VanDerWaalsContact O-N 3.1Å; Y831-I871 HydrophobicContact CD1-CD1 4.4Å; Y831-I871 HydrophobicContact CD1-CG1 4.49Å; Y831-I871 HydrophobicContact CD2-CB 4.01Å; Y831-I871 HydrophobicContact CD2-CD1 3.91Å; Y831-I871 HydrophobicContact CD2-CG1 3.68Å; Y831-I871 VanDerWaalsContact CD2-CG1 3.44Å; Y831-I871 HydrophobicContact CE1-CD1 3.97Å; Y831-I871 HydrophobicContact CE1-CG1 4.35Å; Y831-I871 HydrophobicContact CE2-CB 4.06Å; Y831-I871 HydrophobicContact CE2-CD1 3.27Å; Y831-I871 HydrophobicContact CE2-CG1 3.49Å; Y831-I871 HydrophobicContact CG-CD1 4.37Å; Y831-I871 HydrophobicContact CG-CG1 4.16Å; Y831-I871 VanDerWaalsContact CZ-CD1 3.43Å; Y831-L909 HydrophobicContact CD1-CD2 3.7Å; Y831-L909 HydrophobicContact CE1-CD2 4.33Å; Y831-L909 HydrophobicContact CG-CD2 4.5Å; Y831-E1116 PolarHBondContact OH-OE1 2.97Å |
| 832 | T | 70.6 | Confident | 65.1 | Low | 14.75 Ų | 14.75 | 56 Ų | 56 | 9% | 0.09 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 177.1 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | A828 S829 F834 M835 F836 L908 | A828-T832 PolarHBondContact O-N 3.01Å; A828-T832 PolarHBondContact O-OG1 3.16Å; S829-T832 WeakPolarHBondContact CA-OG1 3.29Å; S829-T832 PolarHBondContact O-N 3.02Å; S829-T832 PolarHBondContact O-OG1 3.04Å; T832-F834 VanDerWaalsContact C-N 3.32Å; T832-F834 PolarHBondContact O-N 3.35Å; T832-M835 PolarHBondContact O-N 2.98Å; T832-M835 VanDerWaalsContact O-N 3.11Å; T832-F836 HydrophobicContact CG2-CD2 4.37Å; T832-F836 HydrophobicContact CG2-CE2 4.27Å; T832-F836 WeakPolarHBondContact O-CB 3.35Å; T832-F836 WeakPolarHBondContact O-CD2 3.35Å; T832-F836 PolarHBondContact O-N 3.11Å; T832-L908 WeakPolarHBondContact CG2-O 3.35Å |
| 833 | D | 68.2 | Low | 62.1 | Low | 73.75 Ų | 73.75 | 62.7 Ų | 62.7 | 39% | 0.394 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 173 | -75.8 | -24.7 | 0 | 0 | 0 | 111.4 | S829 C830 Y831 M835 N837 | S829-D833 WeakPolarHBondContact O-CB 3.32Å; S829-D833 PolarHBondContact O-N 3.08Å; C830-D833 PolarHBondContact O-N 3.29Å; Y831-D833 VanDerWaalsContact C-N 3.32Å; Y831-D833 PolarHBondContact O-N 3.07Å; D833-M835 VanDerWaalsContact C-N 3.28Å; D833-M835 PolarHBondContact O-N 3.35Å; D833-N837 WeakPolarHBondContact O-CB 3.37Å; D833-N837 PolarHBondContact O-N 3.13Å; D833-N837 VanDerWaalsContact O-N 3.13Å; D833-N837 PolarHBondContact OD1-ND2 3.24Å |
| 834 | F | 66 | Low | 59.2 | Low | 81 Ų | 81 | 69.3 Ų | 69.3 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.1 | -35.1 | 173.3 | -90.3 | -70.3 | 0 | 0 | 0 | 113.1 | L782 C830 Y831 T832 V870 | L782-F834 HydrophobicContact CD1-CE2 4.03Å; L782-F834 HydrophobicContact CD2-CE2 3.84Å; L782-F834 HydrophobicContact CD2-CZ 3.98Å; C830-F834 VanDerWaalsContact O-CD2 3.25Å; C830-F834 WeakPolarHBondContact O-CD2 3.2Å; C830-F834 PolarHBondContact O-N 3.25Å; Y831-F834 WeakPolarHBondContact O-CB 3.22Å; Y831-F834 PolarHBondContact O-N 3.2Å; Y831-F834 VanDerWaalsContact O-N 3.15Å; T832-F834 VanDerWaalsContact C-N 3.32Å; T832-F834 PolarHBondContact O-N 3.35Å; F834-V870 HydrophobicContact CE2-CG2 4.41Å |
| 835 | M | 61.4 | Low | 56.2 | Low | 50 Ų | 50 | 77.1 Ų | 77.1 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -87.4 | -37.6 | -173.7 | -66.8 | -57.7 | -69.4 | 0 | 0 | 113.8 | Y831 T832 D833 L1115 F1159 | Y831-M835 HydrophobicContact CD1-CG 4.33Å; Y831-M835 HydrophobicContact CD2-CG 4.21Å; Y831-M835 HydrophobicContact CD2-SD 4.5Å; Y831-M835 HydrophobicContact CE1-CG 3.9Å; Y831-M835 HydrophobicContact CE2-CG 3.73Å; Y831-M835 HydrophobicContact CE2-SD 3.99Å; Y831-M835 HydrophobicContact CG-CG 4.42Å; Y831-M835 VanDerWaalsContact O-CG 3.28Å; Y831-M835 WeakPolarHBondContact O-CG 3.41Å; Y831-M835 PolarHBondContact O-N 3.01Å; Y831-M835 VanDerWaalsContact O-N 3.1Å; T832-M835 PolarHBondContact O-N 2.98Å; T832-M835 VanDerWaalsContact O-N 3.11Å; D833-M835 VanDerWaalsContact C-N 3.28Å; D833-M835 PolarHBondContact O-N 3.35Å; M835-L1115 HydrophobicContact CE-CB 4.16Å; M835-L1115 HydrophobicContact CE-CD1 3.76Å; M835-L1115 HydrophobicContact CE-CD2 3.26Å; M835-L1115 HydrophobicContact CE-CG 4.33Å; M835-F1159 HydrophobicContact CE-CE2 4.46Å |
| 836 | F | 60.6 | Low | 53.3 | Low | 107.5 Ų | 107.5 | 85.4 Ų | 85.4 | 47% | 0.471 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -111.3 | -35 | -169 | -63.9 | -71.6 | 0 | 0 | 0 | 114.4 | T832 Q838 K839 H910 | T832-F836 HydrophobicContact CG2-CD2 4.37Å; T832-F836 HydrophobicContact CG2-CE2 4.27Å; T832-F836 WeakPolarHBondContact O-CB 3.35Å; T832-F836 WeakPolarHBondContact O-CD2 3.35Å; T832-F836 PolarHBondContact O-N 3.11Å; F836-Q838 VanDerWaalsContact C-N 3.35Å; F836-Q838 PolarHBondContact O-N 3.29Å; F836-Q838 VanDerWaalsContact O-N 3.11Å; F836-K839 WeakPolarHBondContact O-CB 3.23Å; F836-K839 PolarHBondContact O-N 3.27Å; F836-H910 HydrophobicContact CE2-CB 4.31Å; F836-H910 HydrophobicContact CZ-CB 4.42Å |
| 837 | N | 48.8 | Very low | 50.6 | Low | 82.75 Ų | 82.75 | 93.6 Ų | 93.6 | 44% | 0.443 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -78.6 | -3.8 | -169.1 | -89.1 | -25.8 | 0 | 0 | 0 | 115.3 | D833 K839 L840 | D833-N837 WeakPolarHBondContact O-CB 3.37Å; D833-N837 PolarHBondContact O-N 3.13Å; D833-N837 VanDerWaalsContact O-N 3.13Å; D833-N837 PolarHBondContact OD1-ND2 3.24Å; N837-K839 PolarHBondContact O-N 3.32Å; N837-K839 VanDerWaalsContact O-N 3.13Å; N837-L840 PolarHBondContact O-N 2.95Å |
| 838 | Q | 46.4 | Very low | 47.8 | Very low | 97.5 Ų | 97.5 | 99.2 Ų | 99.2 | 46% | 0.456 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -67.5 | -10.9 | 167.9 | -68.6 | -165.3 | 4.5 | 0 | 0 | 113.7 | F836 S1157 | F836-Q838 VanDerWaalsContact C-N 3.35Å; F836-Q838 PolarHBondContact O-N 3.29Å; F836-Q838 VanDerWaalsContact O-N 3.11Å; Q838-S1157 VanDerWaalsContact CD-OG 3.25Å; Q838-S1157 PolarHBondContact NE2-OG 3.01Å; Q838-S1157 PolarHBondContact OE1-O 3.43Å; Q838-S1157 VanDerWaalsContact OE1-O 3.12Å; Q838-S1157 PolarHBondContact OE1-OG 3.31Å |
| 839 | K | 33.1 | Very low | 45.2 | Very low | 162.25 Ų | 162.25 | 104.3 Ų | 104.3 | 71% | 0.705 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -77.5 | -27.3 | 176.3 | -76.3 | -174.9 | 175.8 | 179.6 | 0 | 114.3 | F836 N837 Q841 M842 | F836-K839 WeakPolarHBondContact O-CB 3.23Å; F836-K839 PolarHBondContact O-N 3.27Å; N837-K839 PolarHBondContact O-N 3.32Å; N837-K839 VanDerWaalsContact O-N 3.13Å; K839-Q841 PolarHBondContact O-N 3.25Å; K839-M842 PolarHBondContact O-N 3Å |
| 840 | L | 27.8 | Very low | 42.5 | Very low | 133 Ų | 133 | 106.3 Ų | 106.3 | 70% | 0.696 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -11 | -166.8 | -89.3 | 155.4 | 0 | 0 | 0 | 115.5 | N837 M842 | N837-L840 PolarHBondContact O-N 2.95Å; L840-M842 VanDerWaalsContact C-N 3.3Å; L840-M842 PolarHBondContact O-N 3.14Å |
| 841 | Q | 27 | Very low | 39.9 | Very low | 179 Ų | 179 | 115.3 Ų | 115.3 | 84% | 0.836 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 14.5 | 171.6 | -75.2 | -167.3 | -11.4 | 0 | 0 | 113.9 | K839 N843 | K839-Q841 PolarHBondContact O-N 3.25Å; Q841-N843 VanDerWaalsContact C-N 3.29Å; Q841-N843 PolarHBondContact O-N 2.92Å |
| 842 | M | 25.1 | Very low | 37.4 | Very low | 133.5 Ų | 133.5 | 121.6 Ų | 121.6 | 66% | 0.658 | 60% | 0.596 | S | S | * | * | trans | -108.3 | 29.3 | 179 | -76.5 | -69.7 | 171.8 | 0 | 0 | 113.8 | K839 L840 N844 Y845 R851 | K839-M842 PolarHBondContact O-N 3Å; L840-M842 VanDerWaalsContact C-N 3.3Å; L840-M842 PolarHBondContact O-N 3.14Å; M842-N844 PolarHBondContact O-N 3.43Å; M842-Y845 HydrophobicContact SD-CD2 4.11Å; M842-R851 VanDerWaalsContact SD-CD 3.54Å; M842-R851 PolarHBondContact SD-NH1 3Å | ||
| 843 | N | 24.2 | Very low | 35.1 | Very low | 140.25 Ų | 140.25 | 125 Ų | 125 | 75% | 0.75 | 62% | 0.621 | S | S | * | * | trans | -93.6 | 60.6 | 170 | -84.1 | -7.7 | 0 | 0 | 0 | 112.3 | Q841 | Q841-N843 VanDerWaalsContact C-N 3.29Å; Q841-N843 PolarHBondContact O-N 2.92Å | ||
| 844 | N | 24.8 | Very low | 33.1 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 164.8 | 87.9 | 172.8 | -65 | -15.6 | 0 | 0 | 0 | 114.5 | M842 E846 | M842-N844 PolarHBondContact O-N 3.43Å; N844-E846 PolarHBondContact O-N 3.15Å |
| 845 | Y | 25 | Very low | 31.1 | Very low | 164.75 Ų | 164.75 | 129.7 Ų | 129.7 | 65% | 0.646 | 65% | 0.652 | S | S | * | * | trans | 75.7 | 54.7 | 172.3 | -70.2 | -79.8 | 0 | 0 | 0 | 116 | M842 F847 R851 | M842-Y845 HydrophobicContact SD-CD2 4.11Å; Y845-F847 VanDerWaalsContact C-N 3.28Å; Y845-F847 HydrophobicContact CD1-CD2 4.42Å; Y845-F847 HydrophobicContact CD1-CE2 4.23Å; Y845-F847 PolarHBondContact O-N 3.24Å; Y845-R851 HydrophobicContact CE1-CB 3.43Å; Y845-R851 VanDerWaalsContact CE1-CB 3.43Å; Y845-R851 HydrophobicContact CE1-CG 3.74Å; Y845-R851 VanDerWaalsContact OH-CB 3.24Å; Y845-R851 WeakPolarHBondContact OH-CB 3.11Å; Y845-R851 WeakPolarHBondContact OH-CD 3.44Å | ||
| 846 | E | 25.3 | Very low | 29.3 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | trans | -93.9 | 34.8 | 166 | -80.9 | -166.3 | 164.4 | 0 | 0 | 113 | N844 | N844-E846 PolarHBondContact O-N 3.15Š| ||
| 847 | F | 26.9 | Very low | 27.6 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -73.6 | 52.6 | 179.7 | -117.9 | -103.3 | 0 | 0 | 0 | 114.4 | Y845 | Y845-F847 VanDerWaalsContact C-N 3.28Å; Y845-F847 HydrophobicContact CD1-CD2 4.42Å; Y845-F847 HydrophobicContact CD1-CE2 4.23Å; Y845-F847 PolarHBondContact O-N 3.24Å |
| 848 | F | 26.7 | Very low | 26.4 | Very low | 118.75 Ų | 118.75 | 134.3 Ų | 134.3 | 52% | 0.521 | 70% | 0.7 | S | S | . | * | S | Bend | trans | 144.9 | 89.9 | 169.5 | -81.8 | -89.2 | 0 | 0 | 0 | 116.9 | G850 P1230 T1285 V1288 | F848-G850 PolarHBondContact O-N 3.34Å; F848-G850 VanDerWaalsContact O-N 3.14Å; F848-P1230 HydrophobicContact CE1-CG 4.41Å; F848-T1285 HydrophobicContact CE1-CG2 3.68Å; F848-T1285 HydrophobicContact CZ-CG2 4.25Å; F848-V1288 HydrophobicContact CE2-CG1 4.02Å; F848-V1288 HydrophobicContact CZ-CB 3.87Å; F848-V1288 HydrophobicContact CZ-CG1 3.74Å |
| 849 | C | 26.9 | Very low | 25.6 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 72% | 0.716 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 179.4 | 116.4 | 159 | -83.9 | 0 | 0 | 0 | 0 | 112 | R851 | C849-R851 PolarHBondContact O-N 3.24Å; C849-R851 VanDerWaalsContact O-N 3.1Å |
| 850 | G | 24.1 | Very low | 25.3 | Very low | 69.5 Ų | 69.5 | 136.4 Ų | 136.4 | 72% | 0.716 | 72% | 0.721 | S | S | * | * | trans | -73.8 | 117.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F848 | F848-G850 PolarHBondContact O-N 3.34Å; F848-G850 VanDerWaalsContact O-N 3.14Å | ||
| 851 | R | 23.2 | Very low | 25.3 | Very low | 198.25 Ų | 198.25 | 134.6 Ų | 134.6 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -83.2 | 138.1 | 157.6 | -99.1 | 174.5 | 164.4 | 175.6 | -3.8 | 111.2 | M842 Y845 C849 S853 | M842-R851 VanDerWaalsContact SD-CD 3.54Å; M842-R851 PolarHBondContact SD-NH1 3Å; Y845-R851 HydrophobicContact CE1-CB 3.43Å; Y845-R851 VanDerWaalsContact CE1-CB 3.43Å; Y845-R851 HydrophobicContact CE1-CG 3.74Å; Y845-R851 VanDerWaalsContact OH-CB 3.24Å; Y845-R851 WeakPolarHBondContact OH-CB 3.11Å; Y845-R851 WeakPolarHBondContact OH-CD 3.44Å; C849-R851 PolarHBondContact O-N 3.24Å; C849-R851 VanDerWaalsContact O-N 3.1Å; R851-S853 PolarHBondContact O-N 3.45Å | ||
| 852 | M | 22.7 | Very low | 25.5 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | trans | 8.4 | 117.9 | 159.6 | -59.1 | -133.7 | -122.1 | 0 | 0 | 114.2 | S854 L857 P1230 | M852-S854 PolarHBondContact O-N 3.44Å; M852-L857 HydrophobicContact CE-CB 3.87Å; M852-L857 HydrophobicContact CE-CD1 4.15Å; M852-P1230 HydrophobicContact CE-CG 3.77Å; M852-P1230 HydrophobicContact SD-CG 3.79Å | ||
| 853 | S | 23.9 | Very low | 26.1 | Very low | 85.25 Ų | 85.25 | 128 Ų | 128 | 60% | 0.596 | 72% | 0.72 | S | S | * | * | trans | -11.1 | 116 | 147.4 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | R851 E855 T856 | R851-S853 PolarHBondContact O-N 3.45Å; S853-E855 PolarHBondContact O-N 2.94Å; S853-E855 VanDerWaalsContact O-N 3.16Å; S853-T856 PolarHBondContact O-N 3.29Å; S853-T856 PolarHBondContact OG-O 3.26Å | ||
| 854 | S | 25.1 | Very low | 27.3 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | -63.2 | 86.1 | 152.7 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | M852 T856 C864 | M852-S854 PolarHBondContact O-N 3.44Å; S854-T856 PolarHBondContact O-N 3.02Å; S854-C864 PolarHBondContact O-SG 3.05Å; S854-C864 VanDerWaalsContact O-SG 3.4Å | ||
| 855 | E | 24.1 | Very low | 28.7 | Very low | 161.25 Ų | 161.25 | 120 Ų | 120 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | trans | -112.5 | 46.5 | 161.2 | -72.8 | -174 | 167.5 | 0 | 0 | 112.3 | S853 C864 | S853-E855 PolarHBondContact O-N 2.94Å; S853-E855 VanDerWaalsContact O-N 3.16Å; E855-C864 HydrophobicContact CB-CB 4.5Å; E855-C864 HydrophobicContact CG-CB 4.41Å; E855-C864 PolarHBondContact O-SG 3.1Å | ||
| 856 | T | 24 | Very low | 30.5 | Very low | 108.25 Ų | 108.25 | 114.9 Ų | 114.9 | 66% | 0.664 | 67% | 0.67 | S | S | * | * | trans | -119.7 | 93.5 | 163.6 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | S853 S854 G858 | S853-T856 PolarHBondContact O-N 3.29Å; S853-T856 PolarHBondContact OG-O 3.26Å; S854-T856 PolarHBondContact O-N 3.02Å; T856-G858 VanDerWaalsContact C-N 3.31Å | ||
| 857 | L | 24.3 | Very low | 32.4 | Very low | 167.25 Ų | 167.25 | 107.4 Ų | 107.4 | 88% | 0.876 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 152.6 | 81 | 158.9 | -69.5 | 168.5 | 0 | 0 | 0 | 112.1 | M852 I859 | M852-L857 HydrophobicContact CE-CB 3.87Å; M852-L857 HydrophobicContact CE-CD1 4.15Å; L857-I859 PolarHBondContact O-N 3.35Å |
| 858 | G | 23.9 | Very low | 34.3 | Very low | 61 Ų | 61 | 101.7 Ų | 101.7 | 63% | 0.629 | 62% | 0.618 | S | S | * | * | trans | -169.8 | 56.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T856 N860 | T856-G858 VanDerWaalsContact C-N 3.31Å; G858-N860 VanDerWaalsContact C-N 3.25Å; G858-N860 PolarHBondContact O-N 3.28Å | ||
| 859 | I | 28.6 | Very low | 36.5 | Very low | 166 Ų | 166 | 100.2 Ų | 100.2 | 85% | 0.851 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -66.9 | 41.6 | 164.3 | -67.5 | 171.7 | 0 | 0 | 0 | 108.3 | L857 | L857-I859 PolarHBondContact O-N 3.35Š|
| 860 | N | 27.7 | Very low | 38.9 | Very low | 138.25 Ų | 138.25 | 95.2 Ų | 95.2 | 74% | 0.739 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -150.6 | 112.7 | 158.8 | -74.6 | -18.7 | 0 | 0 | 0 | 108.6 | G858 S862 | G858-N860 VanDerWaalsContact C-N 3.25Å; G858-N860 PolarHBondContact O-N 3.28Å; N860-S862 VanDerWaalsContact C-N 3.29Å; N860-S862 PolarHBondContact O-N 3.18Å; N860-S862 PolarHBondContact O-OG 3.14Å |
| 861 | G | 27.3 | Very low | 41.4 | Very low | 94 Ų | 94 | 92.4 Ų | 92.4 | 97% | 0.969 | 55% | 0.547 | S | S | * | . | trans | -45.6 | 49.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 862 | S | 32.1 | Very low | 44.1 | Very low | 80 Ų | 80 | 87.7 Ų | 87.7 | 56% | 0.559 | 54% | 0.537 | S | S | * | . | trans | -90.2 | 125 | 168.6 | 71.8 | 0 | 0 | 0 | 0 | 109.7 | N783 N860 C864 | N783-S862 PolarHBondContact ND2-OG 2.68Å; N860-S862 VanDerWaalsContact C-N 3.29Å; N860-S862 PolarHBondContact O-N 3.18Å; N860-S862 PolarHBondContact O-OG 3.14Å; S862-C864 PolarHBondContact O-N 3.31Å | ||
| 863 | S | 36.9 | Very low | 46.9 | Very low | 94.5 Ų | 94.5 | 81.8 Ų | 81.8 | 66% | 0.661 | 51% | 0.508 | S | S | * | . | trans | -51.2 | 114 | 178.1 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | N783 V865 | N783-S863 PolarHBondContact ND2-O 3.1Å; N783-S863 PolarHBondContact OD1-O 3.15Å; S863-V865 PolarHBondContact O-N 3.17Å; S863-V865 VanDerWaalsContact O-N 3.15Å | ||
| 864 | C | 49.5 | Very low | 49.9 | Very low | 89.25 Ų | 89.25 | 78.2 Ų | 78.2 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 127.4 | 174.1 | -73.1 | 0 | 0 | 0 | 0 | 110.5 | S854 E855 S862 T866 | S854-C864 PolarHBondContact O-SG 3.05Å; S854-C864 VanDerWaalsContact O-SG 3.4Å; E855-C864 HydrophobicContact CB-CB 4.5Å; E855-C864 HydrophobicContact CG-CB 4.41Å; E855-C864 PolarHBondContact O-SG 3.1Å; S862-C864 PolarHBondContact O-N 3.31Å; C864-T866 PolarHBondContact O-N 3.38Å |
| 865 | V | 54.2 | Low | 52.7 | Low | 20.75 Ų | 20.75 | 74.3 Ų | 74.3 | 13% | 0.126 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 128.6 | 170.4 | 172.5 | 0 | 0 | 0 | 0 | 109.4 | L782 N783 I786 S863 Q869 V870 | L782-V865 HydrophobicContact CD2-CB 3.92Å; L782-V865 HydrophobicContact CD2-CG1 3.55Å; L782-V865 HydrophobicContact CD2-CG2 3.86Å; N783-V865 HydrophobicContact CB-CG2 4.42Å; N783-V865 WeakPolarHBondContact OD1-CB 3.22Å; N783-V865 WeakPolarHBondContact OD1-CG2 3.29Å; N783-V865 PolarHBondContact OD1-N 3.19Å; I786-V865 HydrophobicContact CD1-CB 4.18Å; I786-V865 HydrophobicContact CD1-CG1 3.48Å; I786-V865 VanDerWaalsContact CD1-CG1 3.46Å; I786-V865 HydrophobicContact CD1-CG2 3.61Å; I786-V865 VanDerWaalsContact CD1-CG2 3.48Å; S863-V865 PolarHBondContact O-N 3.17Å; S863-V865 VanDerWaalsContact O-N 3.15Å; V865-Q869 HydrophobicContact CG1-CB 4.43Å; V865-V870 HydrophobicContact CG1-CG2 3.74Å |
| 866 | T | 62.1 | Low | 55.7 | Low | 57.75 Ų | 57.75 | 68 Ų | 68 | 35% | 0.354 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 147.8 | 175.5 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | C864 T868 Q869 V870 | C864-T866 PolarHBondContact O-N 3.38Å; T866-T868 WeakPolarHBondContact CB-OG1 3.24Å; T866-T868 PolarHBondContact O-N 3.19Å; T866-T868 VanDerWaalsContact O-N 3.11Å; T866-T868 PolarHBondContact OG1-OG1 3.15Å; T866-Q869 VanDerWaalsContact N-OE1 3.14Å; T866-Q869 WeakPolarHBondContact O-CB 3.34Å; T866-Q869 PolarHBondContact O-N 3.32Å; T866-Q869 VanDerWaalsContact OG1-CD 3.27Å; T866-Q869 VanDerWaalsContact OG1-CG 3.26Å; T866-Q869 WeakPolarHBondContact OG1-CG 3.29Å; T866-Q869 PolarHBondContact OG1-N 2.96Å; T866-Q869 PolarHBondContact OG1-OE1 3.33Å; T866-V870 PolarHBondContact O-N 3.09Å |
| 867 | S | 66.2 | Low | 58.6 | Low | 26.75 Ų | 26.75 | 62.8 Ų | 62.8 | 19% | 0.187 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54.3 | -33.4 | 174.2 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | Q869 V870 I871 | S867-Q869 VanDerWaalsContact C-N 3.34Å; S867-Q869 PolarHBondContact O-N 2.88Å; S867-V870 WeakPolarHBondContact O-CB 3.43Å; S867-V870 PolarHBondContact O-N 3.03Å; S867-V870 VanDerWaalsContact O-N 3.12Å; S867-I871 VanDerWaalsContact O-CD1 3.3Å; S867-I871 WeakPolarHBondContact O-CD1 3.4Å; S867-I871 WeakPolarHBondContact O-CG1 3.33Å; S867-I871 PolarHBondContact O-N 3.36Å |
| 868 | T | 66.7 | Low | 61.6 | Low | 54 Ų | 54 | 55.1 Ų | 55.1 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 175.2 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | T866 V870 I871 D872 W1119 | T866-T868 WeakPolarHBondContact CB-OG1 3.24Å; T866-T868 PolarHBondContact O-N 3.19Å; T866-T868 VanDerWaalsContact O-N 3.11Å; T866-T868 PolarHBondContact OG1-OG1 3.15Å; T868-V870 VanDerWaalsContact C-N 3.31Å; T868-V870 PolarHBondContact O-N 3.3Å; T868-I871 WeakPolarHBondContact O-CG2 3.4Å; T868-I871 PolarHBondContact O-N 3.1Å; T868-D872 VanDerWaalsContact O-CB 3.31Å; T868-D872 WeakPolarHBondContact O-CB 3.41Å; T868-D872 PolarHBondContact O-N 2.98Å; T868-W1119 HydrophobicContact CG2-CH2 4.28Å; T868-W1119 HydrophobicContact CG2-CZ3 3.86Å |
| 869 | Q | 72.9 | Confident | 64.6 | Low | 87 Ų | 87 | 53 Ų | 53 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 177 | -74.9 | 168.5 | -16.2 | 0 | 0 | 111.7 | V865 T866 S867 L873 | V865-Q869 HydrophobicContact CG1-CB 4.43Å; T866-Q869 VanDerWaalsContact N-OE1 3.14Å; T866-Q869 WeakPolarHBondContact O-CB 3.34Å; T866-Q869 PolarHBondContact O-N 3.32Å; T866-Q869 VanDerWaalsContact OG1-CD 3.27Å; T866-Q869 VanDerWaalsContact OG1-CG 3.26Å; T866-Q869 WeakPolarHBondContact OG1-CG 3.29Å; T866-Q869 PolarHBondContact OG1-N 2.96Å; T866-Q869 PolarHBondContact OG1-OE1 3.33Å; S867-Q869 VanDerWaalsContact C-N 3.34Å; S867-Q869 PolarHBondContact O-N 2.88Å; Q869-L873 VanDerWaalsContact O-CG 3.28Å; Q869-L873 WeakPolarHBondContact O-CG 3.39Å; Q869-L873 PolarHBondContact O-N 3.17Å |
| 870 | V | 76.4 | Confident | 67.3 | Low | 0.25 Ų | 0.25 | 46.3 Ų | 46.3 | 0% | 0.002 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.6 | -47.2 | 177.5 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | L782 I786 L827 C830 F834 V865 T866 S867 T868 D872 L873 V874 | L782-V870 HydrophobicContact CD2-CG2 4.18Å; I786-V870 HydrophobicContact CD1-CG2 4.49Å; L827-V870 HydrophobicContact CB-CG1 4.41Å; L827-V870 HydrophobicContact CD2-CG1 4.14Å; L827-V870 WeakPolarHBondContact O-CG1 3.32Å; C830-V870 HydrophobicContact CB-CG1 4.43Å; F834-V870 HydrophobicContact CE2-CG2 4.41Å; V865-V870 HydrophobicContact CG1-CG2 3.74Å; T866-V870 PolarHBondContact O-N 3.09Å; S867-V870 WeakPolarHBondContact O-CB 3.43Å; S867-V870 PolarHBondContact O-N 3.03Å; S867-V870 VanDerWaalsContact O-N 3.12Å; T868-V870 VanDerWaalsContact C-N 3.31Å; T868-V870 PolarHBondContact O-N 3.3Å; V870-D872 PolarHBondContact O-N 3.23Å; V870-L873 WeakPolarHBondContact O-CB 3.24Å; V870-L873 PolarHBondContact O-N 3.03Å; V870-V874 WeakPolarHBondContact O-CG2 3.36Å; V870-V874 PolarHBondContact O-N 3.01Å |
| 871 | I | 77.4 | Confident | 70.1 | Confident | 12.5 Ų | 12.5 | 39.7 Ų | 39.7 | 6% | 0.064 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 178.2 | -82.6 | 149.7 | 0 | 0 | 0 | 111.5 | Y831 S867 T868 L873 V874 V875 L919 E1116 | Y831-I871 HydrophobicContact CD1-CD1 4.4Å; Y831-I871 HydrophobicContact CD1-CG1 4.49Å; Y831-I871 HydrophobicContact CD2-CB 4.01Å; Y831-I871 HydrophobicContact CD2-CD1 3.91Å; Y831-I871 HydrophobicContact CD2-CG1 3.68Å; Y831-I871 VanDerWaalsContact CD2-CG1 3.44Å; Y831-I871 HydrophobicContact CE1-CD1 3.97Å; Y831-I871 HydrophobicContact CE1-CG1 4.35Å; Y831-I871 HydrophobicContact CE2-CB 4.06Å; Y831-I871 HydrophobicContact CE2-CD1 3.27Å; Y831-I871 HydrophobicContact CE2-CG1 3.49Å; Y831-I871 HydrophobicContact CG-CD1 4.37Å; Y831-I871 HydrophobicContact CG-CG1 4.16Å; Y831-I871 VanDerWaalsContact CZ-CD1 3.43Å; S867-I871 VanDerWaalsContact O-CD1 3.3Å; S867-I871 WeakPolarHBondContact O-CD1 3.4Å; S867-I871 WeakPolarHBondContact O-CG1 3.33Å; S867-I871 PolarHBondContact O-N 3.36Å; T868-I871 WeakPolarHBondContact O-CG2 3.4Å; T868-I871 PolarHBondContact O-N 3.1Å; I871-L873 PolarHBondContact O-N 2.98Å; I871-V874 CarbonylContact O-C 3.55Å; I871-V874 WeakPolarHBondContact O-CA 3.33Å; I871-V874 WeakPolarHBondContact O-CB 3.24Å; I871-V874 PolarHBondContact O-N 3.05Å; I871-V874 VanDerWaalsContact O-N 3.16Å; I871-V875 HydrophobicContact CG1-CG2 4.31Å; I871-V875 HydrophobicContact CG2-CG2 3.87Å; I871-V875 WeakPolarHBondContact O-CB 3.42Å; I871-V875 VanDerWaalsContact O-CG2 3.3Å; I871-V875 WeakPolarHBondContact O-CG2 3.36Å; I871-V875 PolarHBondContact O-N 3.05Å; I871-L919 HydrophobicContact CD1-CD1 4.14Å; I871-L919 HydrophobicContact CD1-CD2 4.24Å; I871-E1116 VanDerWaalsContact CD1-CD 3.43Å; I871-E1116 HydrophobicContact CD1-CG 4.38Å; I871-E1116 WeakPolarHBondContact CD1-OE1 3.42Å |
| 872 | D | 79.9 | Confident | 72.9 | Confident | 98.5 Ų | 98.5 | 35.3 Ų | 35.3 | 53% | 0.527 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.2 | -36.9 | 178.3 | -72.4 | -23.5 | 0 | 0 | 0 | 111 | T868 V870 S876 | T868-D872 VanDerWaalsContact O-CB 3.31Å; T868-D872 WeakPolarHBondContact O-CB 3.41Å; T868-D872 PolarHBondContact O-N 2.98Å; V870-D872 PolarHBondContact O-N 3.23Å; D872-S876 WeakPolarHBondContact O-CB 3.29Å; D872-S876 PolarHBondContact O-N 3.2Å |
| 873 | L | 82.4 | Confident | 75.4 | Confident | 22.25 Ų | 22.25 | 35.9 Ų | 35.9 | 12% | 0.116 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69 | -44.3 | 173.3 | -67.9 | 171.2 | 0 | 0 | 0 | 111.9 | I786 L827 Q869 V870 I871 V875 S876 I877 | I786-L873 HydrophobicContact CG1-CD1 4.26Å; I786-L873 HydrophobicContact CG2-CD1 4.19Å; L827-L873 HydrophobicContact CD1-CB 3.6Å; L827-L873 HydrophobicContact CD1-CD1 4.41Å; L827-L873 HydrophobicContact CD2-CB 4.17Å; L827-L873 HydrophobicContact CD2-CD1 4.25Å; L827-L873 HydrophobicContact CG-CB 4.46Å; Q869-L873 VanDerWaalsContact O-CG 3.28Å; Q869-L873 WeakPolarHBondContact O-CG 3.39Å; Q869-L873 PolarHBondContact O-N 3.17Å; V870-L873 WeakPolarHBondContact O-CB 3.24Å; V870-L873 PolarHBondContact O-N 3.03Å; I871-L873 PolarHBondContact O-N 2.98Å; L873-V875 VanDerWaalsContact C-N 3.33Å; L873-V875 PolarHBondContact O-N 3.08Å; L873-S876 WeakPolarHBondContact CA-OG 3.36Å; L873-S876 PolarHBondContact O-N 3.26Å; L873-S876 PolarHBondContact O-OG 3.26Å; L873-I877 WeakPolarHBondContact O-CG1 3.36Å; L873-I877 PolarHBondContact O-N 3.14Å |
| 874 | V | 85.6 | Confident | 77.7 | Confident | 8.25 Ų | 8.25 | 32.7 Ų | 32.7 | 5% | 0.05 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.9 | -46.9 | 174.6 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L827 V870 I871 S876 I877 L878 L909 | L827-V874 HydrophobicContact CB-CG2 3.53Å; L827-V874 VanDerWaalsContact CB-CG2 3.45Å; L827-V874 HydrophobicContact CD1-CG2 4.4Å; L827-V874 HydrophobicContact CG-CG2 4.46Å; V870-V874 WeakPolarHBondContact O-CG2 3.36Å; V870-V874 PolarHBondContact O-N 3.01Å; I871-V874 CarbonylContact O-C 3.55Å; I871-V874 WeakPolarHBondContact O-CA 3.33Å; I871-V874 WeakPolarHBondContact O-CB 3.24Å; I871-V874 PolarHBondContact O-N 3.05Å; I871-V874 VanDerWaalsContact O-N 3.16Å; V874-S876 VanDerWaalsContact C-N 3.32Å; V874-S876 PolarHBondContact O-N 3.05Å; V874-I877 PolarHBondContact O-N 3.31Å; V874-L878 WeakPolarHBondContact O-CB 3.41Å; V874-L878 PolarHBondContact O-N 3.37Å; V874-L909 HydrophobicContact CG1-CD1 4.24Å; V874-L909 HydrophobicContact CG1-CD2 4.48Å |
| 875 | V | 85.3 | Confident | 79.3 | Confident | 12.5 Ų | 12.5 | 28.4 Ų | 28.4 | 8% | 0.076 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -41 | 178.5 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | I871 L873 I877 L878 S879 L919 Q923 | I871-V875 HydrophobicContact CG1-CG2 4.31Å; I871-V875 HydrophobicContact CG2-CG2 3.87Å; I871-V875 WeakPolarHBondContact O-CB 3.42Å; I871-V875 VanDerWaalsContact O-CG2 3.3Å; I871-V875 WeakPolarHBondContact O-CG2 3.36Å; I871-V875 PolarHBondContact O-N 3.05Å; L873-V875 VanDerWaalsContact C-N 3.33Å; L873-V875 PolarHBondContact O-N 3.08Å; V875-I877 PolarHBondContact O-N 3.29Å; V875-L878 PolarHBondContact O-N 3.13Å; V875-S879 WeakPolarHBondContact O-CB 3.44Å; V875-S879 PolarHBondContact O-N 3.15Å; V875-L919 HydrophobicContact CG2-CB 4.39Å; V875-Q923 VanDerWaalsContact C-OE1 3.24Å; V875-Q923 HydrophobicContact CG1-CB 4.42Å; V875-Q923 HydrophobicContact CG1-CG 4.23Å; V875-Q923 PolarHBondContact O-OE1 2.95Å; V875-Q923 VanDerWaalsContact O-OE1 3.1Å |
| 876 | S | 85.4 | Confident | 80.7 | Confident | 28.25 Ų | 28.25 | 27.5 Ų | 27.5 | 20% | 0.198 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 175.2 | 78.4 | 0 | 0 | 0 | 0 | 112.9 | D872 L873 V874 S879 I880 | D872-S876 WeakPolarHBondContact O-CB 3.29Å; D872-S876 PolarHBondContact O-N 3.2Å; L873-S876 WeakPolarHBondContact CA-OG 3.36Å; L873-S876 PolarHBondContact O-N 3.26Å; L873-S876 PolarHBondContact O-OG 3.26Å; V874-S876 VanDerWaalsContact C-N 3.32Å; V874-S876 PolarHBondContact O-N 3.05Å; S876-S879 WeakPolarHBondContact O-CB 3.38Å; S876-S879 PolarHBondContact O-N 3.34Å; S876-S879 PolarHBondContact O-OG 3.09Å; S876-I880 WeakPolarHBondContact O-CD1 3.43Å; S876-I880 VanDerWaalsContact O-CG1 3.32Å; S876-I880 WeakPolarHBondContact O-CG1 3.35Å; S876-I880 PolarHBondContact O-N 3.24Å |
| 877 | I | 86.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.2 | -44.7 | 177.5 | -69.2 | 172.4 | 0 | 0 | 0 | 110.6 | M793 Y820 L823 L827 L873 V874 V875 S879 I880 L881 | M793-I877 HydrophobicContact CE-CG1 4.04Å; M793-I877 HydrophobicContact SD-CG1 4.4Å; Y820-I877 VanDerWaalsContact O-CG2 3.26Å; Y820-I877 WeakPolarHBondContact O-CG2 3.36Å; L823-I877 HydrophobicContact CB-CD1 4.08Å; L827-I877 HydrophobicContact CD1-CD1 3.6Å; L827-I877 VanDerWaalsContact CD1-CD1 3.44Å; L873-I877 WeakPolarHBondContact O-CG1 3.36Å; L873-I877 PolarHBondContact O-N 3.14Å; V874-I877 PolarHBondContact O-N 3.31Å; V875-I877 PolarHBondContact O-N 3.29Å; I877-S879 VanDerWaalsContact C-N 3.26Å; I877-S879 PolarHBondContact O-N 3.27Å; I877-I880 PolarHBondContact O-N 3.14Å; I877-I880 VanDerWaalsContact O-N 3.13Å; I877-L881 HydrophobicContact CG2-CD1 4.09Å; I877-L881 HydrophobicContact CG2-CG 4.39Å; I877-L881 WeakPolarHBondContact O-CG 3.34Å; I877-L881 PolarHBondContact O-N 3.43Å |
| 878 | L | 87.5 | Confident | 82.3 | Confident | 5.5 Ų | 5.5 | 28.9 Ų | 28.9 | 3% | 0.029 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58 | -41.6 | 176.4 | -175.1 | 71.7 | 0 | 0 | 0 | 110.8 | V874 V875 L881 C882 I902 L905 V916 S920 F947 | V874-L878 WeakPolarHBondContact O-CB 3.41Å; V874-L878 PolarHBondContact O-N 3.37Å; V875-L878 PolarHBondContact O-N 3.13Å; L878-L881 PolarHBondContact O-N 3.07Å; L878-C882 WeakPolarHBondContact O-CB 3.45Å; L878-C882 PolarHBondContact O-N 3.19Å; L878-C882 PolarHBondContact O-SG 3.17Å; L878-I902 HydrophobicContact CD1-CG1 4.16Å; L878-I902 HydrophobicContact CD1-CG2 4.21Å; L878-L905 HydrophobicContact CD1-CD1 4.38Å; L878-V916 HydrophobicContact CD2-CG1 3.57Å; L878-S920 WeakPolarHBondContact CD2-OG 3.3Å; L878-F947 HydrophobicContact CD1-CE1 4.23Å; L878-F947 HydrophobicContact CD1-CZ 4.16Å; L878-F947 HydrophobicContact CD2-CE1 4.4Å; L878-F947 HydrophobicContact CD2-CZ 4.31Å; L878-F947 HydrophobicContact CG-CZ 4.37Å |
| 879 | S | 85.6 | Confident | 82.9 | Confident | 16.5 Ų | 16.5 | 26.9 Ų | 26.9 | 12% | 0.115 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.1 | -47.2 | 175.1 | 106.8 | 0 | 0 | 0 | 0 | 111.2 | V875 S876 I877 L881 C882 R883 Q923 I927 | V875-S879 WeakPolarHBondContact O-CB 3.44Å; V875-S879 PolarHBondContact O-N 3.15Å; S876-S879 WeakPolarHBondContact O-CB 3.38Å; S876-S879 PolarHBondContact O-N 3.34Å; S876-S879 PolarHBondContact O-OG 3.09Å; I877-S879 VanDerWaalsContact C-N 3.26Å; I877-S879 PolarHBondContact O-N 3.27Å; S879-L881 PolarHBondContact O-N 3.1Å; S879-C882 PolarHBondContact O-N 2.94Å; S879-C882 VanDerWaalsContact O-N 3.15Å; S879-R883 PolarHBondContact O-N 3.07Å; S879-Q923 PolarHBondContact OG-OE1 3.18Å; S879-I927 VanDerWaalsContact C-CD1 3.46Å; S879-I927 VanDerWaalsContact CA-CD1 3.49Å; S879-I927 VanDerWaalsContact CB-CD1 3.43Å; S879-I927 WeakPolarHBondContact O-CD1 3.36Å; S879-I927 WeakPolarHBondContact OG-CD1 3.47Å |
| 880 | I | 85.2 | Confident | 83.2 | Confident | 26 Ų | 26 | 30.5 Ų | 30.5 | 13% | 0.133 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 178.7 | -67.6 | 161 | 0 | 0 | 0 | 111.5 | M793 Y820 S876 I877 C882 R883 L884 | M793-I880 HydrophobicContact CE-CD1 3.37Å; M793-I880 VanDerWaalsContact CE-CD1 3.41Å; Y820-I880 HydrophobicContact CD1-CG2 4.36Å; Y820-I880 HydrophobicContact CD2-CG2 3.84Å; Y820-I880 HydrophobicContact CE1-CD1 4.24Å; Y820-I880 HydrophobicContact CE1-CG2 4.08Å; Y820-I880 HydrophobicContact CE2-CG2 3.52Å; Y820-I880 VanDerWaalsContact CE2-CG2 3.5Å; Y820-I880 HydrophobicContact CG-CG2 4.26Å; S876-I880 WeakPolarHBondContact O-CD1 3.43Å; S876-I880 VanDerWaalsContact O-CG1 3.32Å; S876-I880 WeakPolarHBondContact O-CG1 3.35Å; S876-I880 PolarHBondContact O-N 3.24Å; I877-I880 PolarHBondContact O-N 3.14Å; I877-I880 VanDerWaalsContact O-N 3.13Å; I880-C882 VanDerWaalsContact C-N 3.33Å; I880-C882 PolarHBondContact O-N 2.99Å; I880-R883 WeakPolarHBondContact O-CB 3.4Å; I880-R883 PolarHBondContact O-N 3.28Å; I880-L884 HydrophobicContact CG2-CD1 4.19Å; I880-L884 WeakPolarHBondContact O-CG 3.4Å; I880-L884 PolarHBondContact O-N 3.16Å |
| 881 | L | 87 | Confident | 83.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 174.6 | -73.4 | 174.1 | 0 | 0 | 0 | 111.3 | I817 I877 L878 S879 R883 L884 G885 V898 Q901 I902 L905 | I817-L881 HydrophobicContact CG2-CD2 4.17Å; I877-L881 HydrophobicContact CG2-CD1 4.09Å; I877-L881 HydrophobicContact CG2-CG 4.39Å; I877-L881 WeakPolarHBondContact O-CG 3.34Å; I877-L881 PolarHBondContact O-N 3.43Å; L878-L881 PolarHBondContact O-N 3.07Å; S879-L881 PolarHBondContact O-N 3.1Å; L881-R883 VanDerWaalsContact C-N 3.34Å; L881-R883 PolarHBondContact O-N 3.4Å; L881-L884 PolarHBondContact O-N 3.24Å; L881-G885 PolarHBondContact O-N 3.22Å; L881-V898 HydrophobicContact CB-CG1 4.33Å; L881-V898 VanDerWaalsContact O-CG1 3.26Å; L881-V898 WeakPolarHBondContact O-CG1 3.33Å; L881-Q901 HydrophobicContact CD1-CB 4.3Å; L881-I902 HydrophobicContact CB-CD1 4.38Å; L881-I902 HydrophobicContact CB-CG1 4.26Å; L881-I902 HydrophobicContact CD1-CG1 4.32Å; L881-L905 HydrophobicContact CD1-CD1 3.69Å |
| 882 | C | 86.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 175.6 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | L878 S879 I880 G885 L886 L924 L943 | L878-C882 WeakPolarHBondContact O-CB 3.45Å; L878-C882 PolarHBondContact O-N 3.19Å; L878-C882 PolarHBondContact O-SG 3.17Å; S879-C882 PolarHBondContact O-N 2.94Å; S879-C882 VanDerWaalsContact O-N 3.15Å; I880-C882 VanDerWaalsContact C-N 3.33Å; I880-C882 PolarHBondContact O-N 2.99Å; C882-G885 PolarHBondContact O-N 3.15Å; C882-L886 WeakPolarHBondContact O-CG 3.33Å; C882-L886 PolarHBondContact O-N 3.42Å; C882-L924 HydrophobicContact CB-CD2 3.63Å; C882-L924 VanDerWaalsContact SG-CD2 3.57Å; C882-L943 HydrophobicContact CB-CD2 4.27Å |
| 883 | R | 84.9 | Confident | 83.7 | Confident | 93.5 Ų | 93.5 | 36.8 Ų | 36.8 | 35% | 0.353 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.1 | -49.7 | 173.9 | -177.5 | 177.8 | 119.8 | -167.5 | -2.1 | 111.2 | S879 I880 L881 G885 L886 V887 I927 H931 | S879-R883 PolarHBondContact O-N 3.07Å; I880-R883 WeakPolarHBondContact O-CB 3.4Å; I880-R883 PolarHBondContact O-N 3.28Å; L881-R883 VanDerWaalsContact C-N 3.34Å; L881-R883 PolarHBondContact O-N 3.4Å; R883-G885 VanDerWaalsContact C-N 3.32Å; R883-G885 PolarHBondContact O-N 3.14Å; R883-L886 PolarHBondContact O-N 3.21Å; R883-V887 VanDerWaalsContact O-CG2 3.32Å; R883-V887 WeakPolarHBondContact O-CG2 3.24Å; R883-V887 PolarHBondContact O-N 3.1Å; R883-I927 HydrophobicContact CB-CD1 4.38Å; R883-I927 HydrophobicContact CB-CG1 4.44Å; R883-I927 HydrophobicContact CB-CG2 3.86Å; R883-I927 HydrophobicContact CG-CG2 4.24Å; R883-H931 WeakPolarHBondContact CG-NE2 3.49Å |
| 884 | L | 83.8 | Confident | 83.7 | Confident | 27 Ų | 27 | 36.4 Ų | 36.4 | 14% | 0.141 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 176.7 | -70.7 | 169.5 | 0 | 0 | 0 | 111.6 | V813 I817 Y820 I880 L881 L886 V887 H888 V898 | V813-L884 HydrophobicContact CG1-CD2 4.4Å; I817-L884 HydrophobicContact CG1-CB 4.49Å; I817-L884 HydrophobicContact CG1-CD1 3.97Å; Y820-L884 HydrophobicContact CD2-CD1 3.92Å; Y820-L884 HydrophobicContact CE2-CD1 4.03Å; I880-L884 HydrophobicContact CG2-CD1 4.19Å; I880-L884 WeakPolarHBondContact O-CG 3.4Å; I880-L884 PolarHBondContact O-N 3.16Å; L881-L884 PolarHBondContact O-N 3.24Å; L884-L886 VanDerWaalsContact C-N 3.33Å; L884-L886 PolarHBondContact O-N 3.1Å; L884-V887 PolarHBondContact O-N 3.14Å; L884-H888 WeakPolarHBondContact O-CB 3.35Å; L884-H888 PolarHBondContact O-CD2 3.25Å; L884-H888 PolarHBondContact O-N 3.28Å; L884-V898 HydrophobicContact CB-CG2 4.44Å |
| 885 | G | 83.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -38.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L881 C882 R883 H888 Q889 F895 | L881-G885 PolarHBondContact O-N 3.22Å; C882-G885 PolarHBondContact O-N 3.15Å; R883-G885 VanDerWaalsContact C-N 3.32Å; R883-G885 PolarHBondContact O-N 3.14Å; G885-H888 CarbonylContact O-C 3.46Å; G885-Q889 WeakPolarHBondContact O-CA 3.3Å; G885-Q889 PolarHBondContact O-N 3.26Å; G885-Q889 VanDerWaalsContact O-N 3.13Å; G885-F895 WeakPolarHBondContact O-CD2 3.42Å |
| 886 | L | 82.9 | Confident | 83.7 | Confident | 1.25 Ų | 1.25 | 37.9 Ų | 37.9 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72 | -42.7 | 177.2 | -74 | 170.5 | 0 | 0 | 0 | 112.5 | C882 R883 L884 H888 Q889 I927 Q934 A939 L943 | C882-L886 WeakPolarHBondContact O-CG 3.33Å; C882-L886 PolarHBondContact O-N 3.42Å; R883-L886 PolarHBondContact O-N 3.21Å; L884-L886 VanDerWaalsContact C-N 3.33Å; L884-L886 PolarHBondContact O-N 3.1Å; L886-H888 VanDerWaalsContact C-N 3.29Å; L886-H888 PolarHBondContact O-N 3.29Å; L886-Q889 PolarHBondContact O-N 3.06Å; L886-I927 HydrophobicContact CD1-CG2 3.81Å; L886-Q934 PolarHBondContact O-NE2 3.49Å; L886-A939 HydrophobicContact CD2-CB 4.09Å; L886-L943 HydrophobicContact CD2-CG 4.36Å |
| 887 | V | 81.5 | Confident | 83.7 | Confident | 70 Ų | 70 | 37.9 Ų | 37.9 | 42% | 0.424 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 176 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | R883 L884 H931 | R883-V887 VanDerWaalsContact O-CG2 3.32Å; R883-V887 WeakPolarHBondContact O-CG2 3.24Å; R883-V887 PolarHBondContact O-N 3.1Å; L884-V887 PolarHBondContact O-N 3.14Å; V887-H931 VanDerWaalsContact CG2-NE2 3.31Å; V887-H931 WeakPolarHBondContact CG2-NE2 3.36Å |
| 888 | H | 81.3 | Confident | 83.7 | Confident | 42.75 Ų | 42.75 | 37.9 Ų | 37.9 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 26.9 | -174.6 | -67.2 | -67.5 | 0 | 0 | 0 | 114.1 | L884 G885 L886 Y890 S891 L894 | L884-H888 WeakPolarHBondContact O-CB 3.35Å; L884-H888 PolarHBondContact O-CD2 3.25Å; L884-H888 PolarHBondContact O-N 3.28Å; G885-H888 CarbonylContact O-C 3.46Å; L886-H888 VanDerWaalsContact C-N 3.29Å; L886-H888 PolarHBondContact O-N 3.29Å; H888-Y890 PolarHBondContact O-N 3.24Å; H888-Y890 VanDerWaalsContact O-N 3.09Å; H888-S891 VanDerWaalsContact CB-OG 3.31Å; H888-S891 WeakPolarHBondContact CB-OG 3.41Å; H888-S891 PolarHBondContact O-N 3.11Å; H888-S891 PolarHBondContact O-OG 3.2Å; H888-L894 HydrophobicContact CB-CB 4.18Å; H888-L894 HydrophobicContact CB-CD1 4.22Å |
| 889 | Q | 78.5 | Confident | 83.8 | Confident | 12.5 Ų | 12.5 | 39.7 Ų | 39.7 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.9 | -174.9 | 67.7 | -179.6 | -9 | 0 | 0 | 115.2 | G885 L886 F895 S942 | G885-Q889 WeakPolarHBondContact O-CA 3.3Å; G885-Q889 PolarHBondContact O-N 3.26Å; G885-Q889 VanDerWaalsContact O-N 3.13Å; L886-Q889 PolarHBondContact O-N 3.06Å; Q889-F895 HydrophobicContact CB-CD2 4.44Å; Q889-S942 PolarHBondContact OE1-OG 3.06Å |
| 890 | Y | 79.9 | Confident | 83.9 | Confident | 162.25 Ų | 162.25 | 41.9 Ų | 41.9 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -13.6 | 179.3 | -57.8 | -67.3 | 0 | 0 | 0 | 113.4 | H888 H892 | H888-Y890 PolarHBondContact O-N 3.24Å; H888-Y890 VanDerWaalsContact O-N 3.09Å; Y890-H892 PolarHBondContact O-N 3.12Å |
| 891 | S | 81.8 | Confident | 84 | Confident | 43.75 Ų | 43.75 | 40.9 Ų | 40.9 | 31% | 0.306 | 22% | 0.218 | S | C | . | . | trans | -92.3 | 92.6 | 173.8 | 61.7 | 0 | 0 | 0 | 0 | 109.7 | H888 G893 L894 F895 | H888-S891 VanDerWaalsContact CB-OG 3.31Å; H888-S891 WeakPolarHBondContact CB-OG 3.41Å; H888-S891 PolarHBondContact O-N 3.11Å; H888-S891 PolarHBondContact O-OG 3.2Å; S891-G893 PolarHBondContact O-N 2.97Å; S891-G893 VanDerWaalsContact O-N 3.13Å; S891-L894 PolarHBondContact O-N 3.21Å; S891-L894 VanDerWaalsContact O-N 3.16Å; S891-F895 WeakPolarHBondContact O-CB 3.22Å; S891-F895 PolarHBondContact O-N 3.06Å | ||
| 892 | H | 81 | Confident | 84.1 | Confident | 146.75 Ų | 146.75 | 40.9 Ų | 40.9 | 68% | 0.679 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -54.8 | -33.5 | -175.3 | -68.8 | -65.5 | 0 | 0 | 0 | 114.3 | Y890 G896 | Y890-H892 PolarHBondContact O-N 3.12Å; H892-G896 PolarHBondContact O-N 3.15Å |
| 893 | G | 81.5 | Confident | 84.2 | Confident | 54.5 Ų | 54.5 | 43.2 Ų | 43.2 | 56% | 0.562 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62 | -56.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S891 F895 G896 T897 | S891-G893 PolarHBondContact O-N 2.97Å; S891-G893 VanDerWaalsContact O-N 3.13Å; G893-F895 PolarHBondContact O-N 2.92Å; G893-G896 PolarHBondContact O-N 3.27Å; G893-T897 WeakPolarHBondContact O-CG2 3.37Å; G893-T897 PolarHBondContact O-N 2.97Å; G893-T897 PolarHBondContact O-OG1 3.42Å |
| 894 | L | 82.4 | Confident | 84.3 | Confident | 13.75 Ų | 13.75 | 41.7 Ų | 41.7 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -39.6 | 179.1 | -62.5 | 177.8 | 0 | 0 | 0 | 112.3 | V813 E814 I817 H888 S891 G896 T897 V898 | V813-L894 HydrophobicContact CB-CD1 4.48Å; V813-L894 HydrophobicContact CG1-CD1 4.11Å; V813-L894 HydrophobicContact CG1-CD2 4.38Å; E814-L894 HydrophobicContact CB-CD2 3.94Å; E814-L894 HydrophobicContact CG-CD2 3.99Å; I817-L894 HydrophobicContact CD1-CB 4.38Å; I817-L894 HydrophobicContact CD1-CD2 4.2Å; H888-L894 HydrophobicContact CB-CB 4.18Å; H888-L894 HydrophobicContact CB-CD1 4.22Å; S891-L894 PolarHBondContact O-N 3.21Å; S891-L894 VanDerWaalsContact O-N 3.16Å; L894-G896 VanDerWaalsContact C-N 3.3Å; L894-G896 PolarHBondContact O-N 3.21Å; L894-T897 WeakPolarHBondContact CA-OG1 3.35Å; L894-T897 PolarHBondContact O-N 3.12Å; L894-T897 PolarHBondContact O-OG1 3.25Å; L894-V898 WeakPolarHBondContact O-CG2 3.38Å; L894-V898 PolarHBondContact O-N 3.22Å |
| 895 | F | 84.1 | Confident | 84.4 | Confident | 22.75 Ų | 22.75 | 40.6 Ų | 40.6 | 10% | 0.1 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 175.9 | -171.6 | -94.1 | 0 | 0 | 0 | 111.5 | G885 Q889 S891 G893 Y899 S942 R945 L946 | G885-F895 WeakPolarHBondContact O-CD2 3.42Å; Q889-F895 HydrophobicContact CB-CD2 4.44Å; S891-F895 WeakPolarHBondContact O-CB 3.22Å; S891-F895 PolarHBondContact O-N 3.06Å; G893-F895 PolarHBondContact O-N 2.92Å; F895-Y899 VanDerWaalsContact O-CB 3.29Å; F895-Y899 WeakPolarHBondContact O-CB 3.34Å; F895-Y899 PolarHBondContact O-N 3.29Å; F895-S942 WeakPolarHBondContact CZ-O 3.35Å; F895-R945 HydrophobicContact CE1-CB 4.06Å; F895-R945 HydrophobicContact CZ-CB 3.99Å; F895-L946 HydrophobicContact CD1-CD2 4.42Å; F895-L946 HydrophobicContact CD2-CD2 4.11Å; F895-L946 HydrophobicContact CE1-CD2 3.96Å; F895-L946 HydrophobicContact CE1-CG 4.33Å; F895-L946 HydrophobicContact CE2-CD1 4.04Å; F895-L946 HydrophobicContact CE2-CD2 3.62Å; F895-L946 HydrophobicContact CE2-CG 3.65Å; F895-L946 HydrophobicContact CG-CD2 4.48Å; F895-L946 HydrophobicContact CZ-CD1 4.37Å; F895-L946 HydrophobicContact CZ-CD2 3.55Å; F895-L946 VanDerWaalsContact CZ-CD2 3.5Å; F895-L946 HydrophobicContact CZ-CG 3.52Å |
| 896 | G | 85.9 | Confident | 84.6 | Confident | 29.25 Ų | 29.25 | 41.4 Ų | 41.4 | 30% | 0.302 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | H892 G893 L894 Y899 T900 | H892-G896 PolarHBondContact O-N 3.15Å; G893-G896 PolarHBondContact O-N 3.27Å; L894-G896 VanDerWaalsContact C-N 3.3Å; L894-G896 PolarHBondContact O-N 3.21Å; G896-Y899 WeakPolarHBondContact O-CB 3.37Å; G896-Y899 PolarHBondContact O-N 3.2Å; G896-T900 WeakPolarHBondContact O-CG2 3.4Å; G896-T900 PolarHBondContact O-N 3.13Å |
| 897 | T | 85.3 | Confident | 84.7 | Confident | 27.75 Ų | 27.75 | 47 Ų | 47 | 17% | 0.17 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.3 | -40.9 | 176.9 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | M818 G893 L894 Y899 T900 Q901 | M818-T897 HydrophobicContact CE-CG2 3.95Å; G893-T897 WeakPolarHBondContact O-CG2 3.37Å; G893-T897 PolarHBondContact O-N 2.97Å; G893-T897 PolarHBondContact O-OG1 3.42Å; L894-T897 WeakPolarHBondContact CA-OG1 3.35Å; L894-T897 PolarHBondContact O-N 3.12Å; L894-T897 PolarHBondContact O-OG1 3.25Å; T897-Y899 VanDerWaalsContact C-N 3.29Å; T897-Y899 PolarHBondContact O-N 3.17Å; T897-T900 PolarHBondContact O-N 3.14Å; T897-T900 VanDerWaalsContact O-N 3.14Å; T897-T900 PolarHBondContact O-OG1 3.25Å; T897-Q901 WeakPolarHBondContact O-CG 3.33Å; T897-Q901 PolarHBondContact O-N 3.27Å; T897-Q901 VanDerWaalsContact O-N 3.08Å |
| 898 | V | 88 | Confident | 84.8 | Confident | 0.75 Ų | 0.75 | 46.8 Ų | 46.8 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 171.5 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | I817 L881 L884 L894 T900 Q901 I902 L946 | I817-V898 HydrophobicContact CB-CG2 4.49Å; I817-V898 HydrophobicContact CD1-CG2 3.61Å; I817-V898 HydrophobicContact CG1-CG2 3.8Å; I817-V898 HydrophobicContact CG2-CB 4.49Å; I817-V898 HydrophobicContact CG2-CG2 3.84Å; L881-V898 HydrophobicContact CB-CG1 4.33Å; L881-V898 VanDerWaalsContact O-CG1 3.26Å; L881-V898 WeakPolarHBondContact O-CG1 3.33Å; L884-V898 HydrophobicContact CB-CG2 4.44Å; L894-V898 WeakPolarHBondContact O-CG2 3.38Å; L894-V898 PolarHBondContact O-N 3.22Å; V898-T900 VanDerWaalsContact C-N 3.35Å; V898-T900 PolarHBondContact O-N 3.22Å; V898-Q901 PolarHBondContact O-N 3.34Å; V898-I902 HydrophobicContact CG1-CD1 3.76Å; V898-I902 HydrophobicContact CG1-CG1 4.34Å; V898-I902 WeakPolarHBondContact O-CG1 3.29Å; V898-I902 PolarHBondContact O-N 3.17Å; V898-L946 HydrophobicContact CB-CD2 4.45Å; V898-L946 HydrophobicContact CG1-CD2 3.99Å |
| 899 | Y | 89 | Confident | 84.7 | Confident | 43.5 Ų | 43.5 | 45.2 Ų | 45.2 | 17% | 0.171 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56 | -47.5 | 177.3 | 166.7 | -95.4 | 0 | 0 | 0 | 112 | F895 G896 T897 Q901 I902 Q903 L946 R948 | F895-Y899 VanDerWaalsContact O-CB 3.29Å; F895-Y899 WeakPolarHBondContact O-CB 3.34Å; F895-Y899 PolarHBondContact O-N 3.29Å; G896-Y899 WeakPolarHBondContact O-CB 3.37Å; G896-Y899 PolarHBondContact O-N 3.2Å; T897-Y899 VanDerWaalsContact C-N 3.29Å; T897-Y899 PolarHBondContact O-N 3.17Å; Y899-Q901 VanDerWaalsContact C-N 3.33Å; Y899-Q901 PolarHBondContact O-N 3.25Å; Y899-I902 PolarHBondContact O-N 3.02Å; Y899-Q903 HydrophobicContact CD1-CG 4.45Å; Y899-Q903 HydrophobicContact CD2-CG 4.13Å; Y899-Q903 HydrophobicContact CE1-CG 3.94Å; Y899-Q903 VanDerWaalsContact CE1-OE1 3.26Å; Y899-Q903 HydrophobicContact CE2-CG 3.54Å; Y899-Q903 VanDerWaalsContact CE2-CG 3.46Å; Y899-Q903 VanDerWaalsContact CZ-CG 3.41Å; Y899-Q903 WeakPolarHBondContact O-CB 3.23Å; Y899-Q903 VanDerWaalsContact O-CG 3.32Å; Y899-Q903 WeakPolarHBondContact O-CG 3.37Å; Y899-Q903 PolarHBondContact O-N 3.19Å; Y899-Q903 WeakPolarHBondContact OH-CG 3.3Å; Y899-Q903 PolarHBondContact OH-OE1 3.17Å; Y899-L946 VanDerWaalsContact CD2-O 3.28Å; Y899-L946 WeakPolarHBondContact CD2-O 3.29Å; Y899-L946 WeakPolarHBondContact CE2-O 3.42Å; Y899-R948 HydrophobicContact CE2-CG 3.98Å; Y899-R948 VanDerWaalsContact OH-CD 3.29Å; Y899-R948 WeakPolarHBondContact OH-CD 3.27Å; Y899-R948 PolarHBondContact OH-NE 3.33Å; Y899-R948 PolarHBondContact OH-NH1 2.87Å; Y899-R948 PolarHBondContact OH-NH2 3.27Å |
| 900 | T | 87.2 | Confident | 84.7 | Confident | 62.25 Ų | 62.25 | 51 Ų | 51 | 38% | 0.382 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 179.7 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | G896 T897 V898 I902 Q903 E904 | G896-T900 WeakPolarHBondContact O-CG2 3.4Å; G896-T900 PolarHBondContact O-N 3.13Å; T897-T900 PolarHBondContact O-N 3.14Å; T897-T900 VanDerWaalsContact O-N 3.14Å; T897-T900 PolarHBondContact O-OG1 3.25Å; V898-T900 VanDerWaalsContact C-N 3.35Å; V898-T900 PolarHBondContact O-N 3.22Å; T900-I902 PolarHBondContact O-N 3.05Å; T900-Q903 PolarHBondContact O-N 3.22Å; T900-E904 WeakPolarHBondContact O-CG 3.38Å; T900-E904 PolarHBondContact O-N 3Å |
| 901 | Q | 88.2 | Confident | 84.6 | Confident | 3.75 Ų | 3.75 | 45 Ų | 45 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 177.4 | -61.9 | -46.3 | -69.4 | 0 | 0 | 111.9 | R767 I817 M818 G821 L881 T897 V898 Y899 Q903 E904 L905 | R767-Q901 VanDerWaalsContact NE-OE1 3.17Å; I817-Q901 HydrophobicContact CG2-CG 4.09Å; M818-Q901 HydrophobicContact CE-CG 3.98Å; G821-Q901 VanDerWaalsContact CA-OE1 3.3Å; L881-Q901 HydrophobicContact CD1-CB 4.3Å; T897-Q901 WeakPolarHBondContact O-CG 3.33Å; T897-Q901 PolarHBondContact O-N 3.27Å; T897-Q901 VanDerWaalsContact O-N 3.08Å; V898-Q901 PolarHBondContact O-N 3.34Å; Y899-Q901 VanDerWaalsContact C-N 3.33Å; Y899-Q901 PolarHBondContact O-N 3.25Å; Q901-Q903 VanDerWaalsContact C-N 3.32Å; Q901-Q903 PolarHBondContact O-N 3.11Å; Q901-E904 PolarHBondContact NE2-OE2 3.36Å; Q901-E904 VanDerWaalsContact NE2-OE2 3.09Å; Q901-E904 PolarHBondContact O-N 3.22Å; Q901-E904 PolarHBondContact OE1-OE2 3.43Å; Q901-L905 VanDerWaalsContact O-CG 3.31Å; Q901-L905 WeakPolarHBondContact O-CG 3.35Å; Q901-L905 PolarHBondContact O-N 3.14Å |
| 902 | I | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 176.1 | -68.7 | 175.4 | 0 | 0 | 0 | 111 | L878 L881 V898 Y899 T900 E904 L905 I906 L946 F947 | L878-I902 HydrophobicContact CD1-CG1 4.16Å; L878-I902 HydrophobicContact CD1-CG2 4.21Å; L881-I902 HydrophobicContact CB-CD1 4.38Å; L881-I902 HydrophobicContact CB-CG1 4.26Å; L881-I902 HydrophobicContact CD1-CG1 4.32Å; V898-I902 HydrophobicContact CG1-CD1 3.76Å; V898-I902 HydrophobicContact CG1-CG1 4.34Å; V898-I902 WeakPolarHBondContact O-CG1 3.29Å; V898-I902 PolarHBondContact O-N 3.17Å; Y899-I902 PolarHBondContact O-N 3.02Å; T900-I902 PolarHBondContact O-N 3.05Å; I902-E904 VanDerWaalsContact C-N 3.35Å; I902-E904 PolarHBondContact O-N 3.12Å; I902-L905 WeakPolarHBondContact O-CB 3.35Å; I902-L905 PolarHBondContact O-N 3.12Å; I902-I906 HydrophobicContact CG2-CD1 3.73Å; I902-I906 HydrophobicContact CG2-CG1 4.36Å; I902-I906 VanDerWaalsContact O-CG1 3.24Å; I902-I906 WeakPolarHBondContact O-CG1 3.23Å; I902-I906 PolarHBondContact O-N 3.29Å; I902-L946 HydrophobicContact CD1-CB 4.38Å; I902-L946 HydrophobicContact CD1-CD1 4.33Å; I902-L946 HydrophobicContact CD1-CD2 4.45Å; I902-F947 HydrophobicContact CG2-CD1 4.12Å; I902-F947 HydrophobicContact CG2-CE1 3.91Å; I902-F947 HydrophobicContact CG2-CZ 4.39Å |
| 903 | Q | 89.1 | Confident | 84.7 | Confident | 49.25 Ų | 49.25 | 40.8 Ų | 40.8 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 178.6 | -88.2 | -81.1 | -40.7 | 0 | 0 | 112.4 | Y899 T900 Q901 L905 I906 L907 L946 | Y899-Q903 HydrophobicContact CD1-CG 4.45Å; Y899-Q903 HydrophobicContact CD2-CG 4.13Å; Y899-Q903 HydrophobicContact CE1-CG 3.94Å; Y899-Q903 VanDerWaalsContact CE1-OE1 3.26Å; Y899-Q903 HydrophobicContact CE2-CG 3.54Å; Y899-Q903 VanDerWaalsContact CE2-CG 3.46Å; Y899-Q903 VanDerWaalsContact CZ-CG 3.41Å; Y899-Q903 WeakPolarHBondContact O-CB 3.23Å; Y899-Q903 VanDerWaalsContact O-CG 3.32Å; Y899-Q903 WeakPolarHBondContact O-CG 3.37Å; Y899-Q903 PolarHBondContact O-N 3.19Å; Y899-Q903 WeakPolarHBondContact OH-CG 3.3Å; Y899-Q903 PolarHBondContact OH-OE1 3.17Å; T900-Q903 PolarHBondContact O-N 3.22Å; Q901-Q903 VanDerWaalsContact C-N 3.32Å; Q901-Q903 PolarHBondContact O-N 3.11Å; Q903-L905 VanDerWaalsContact C-N 3.34Å; Q903-I906 PolarHBondContact O-N 3.21Å; Q903-L907 HydrophobicContact CG-CD1 4.26Å; Q903-L907 WeakPolarHBondContact O-CB 3.37Å; Q903-L907 VanDerWaalsContact O-CG 3.29Å; Q903-L907 WeakPolarHBondContact O-CG 3.34Å; Q903-L907 PolarHBondContact O-N 3.06Å; Q903-L946 PolarHBondContact NE2-O 3.37Å; Q903-L946 VanDerWaalsContact NE2-O 3.1Å |
| 904 | E | 86.1 | Confident | 84.7 | Confident | 62.25 Ų | 62.25 | 39.3 Ų | 39.3 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 174.6 | -72.7 | 178.2 | 156 | 0 | 0 | 112 | R767 T900 Q901 I902 I906 L907 L908 | R767-E904 IonicContact CZ-OE1 3.57Å; R767-E904 IonicContact CZ-OE2 3.62Å; R767-E904 VanDerWaalsContact CZ-OE2 3.29Å; R767-E904 IonicContact NE-OE2 3.27Å; R767-E904 IonicContact NH1-OE1 3.2Å; R767-E904 IonicContact NH2-OE1 3.24Å; R767-E904 PolarHBondContact NH2-OE1 3.41Å; R767-E904 IonicContact NH2-OE2 3.39Å; R767-E904 PolarHBondContact NH2-OE2 3.13Å; T900-E904 WeakPolarHBondContact O-CG 3.38Å; T900-E904 PolarHBondContact O-N 3Å; Q901-E904 PolarHBondContact NE2-OE2 3.36Å; Q901-E904 VanDerWaalsContact NE2-OE2 3.09Å; Q901-E904 PolarHBondContact O-N 3.22Å; Q901-E904 PolarHBondContact OE1-OE2 3.43Å; I902-E904 VanDerWaalsContact C-N 3.35Å; I902-E904 PolarHBondContact O-N 3.12Å; E904-I906 VanDerWaalsContact C-N 3.34Å; E904-I906 PolarHBondContact O-N 3.22Å; E904-L907 PolarHBondContact O-N 3.2Å; E904-L908 WeakPolarHBondContact O-CB 3.3Å; E904-L908 WeakPolarHBondContact O-CG 3.32Å; E904-L908 PolarHBondContact O-N 3.15Å |
| 905 | L | 87.2 | Confident | 84.5 | Confident | 2.75 Ų | 2.75 | 40.2 Ų | 40.2 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 173.3 | -76 | 171.3 | 0 | 0 | 0 | 112 | G824 C825 A828 L878 L881 Q901 I902 Q903 L907 L908 L909 | G824-L905 VanDerWaalsContact O-CD2 3.29Å; G824-L905 WeakPolarHBondContact O-CD2 3.37Å; C825-L905 HydrophobicContact CB-CD2 4.48Å; C825-L905 VanDerWaalsContact N-CD2 3.27Å; A828-L905 HydrophobicContact CB-CD2 4.19Å; L878-L905 HydrophobicContact CD1-CD1 4.38Å; L881-L905 HydrophobicContact CD1-CD1 3.69Å; Q901-L905 VanDerWaalsContact O-CG 3.31Å; Q901-L905 WeakPolarHBondContact O-CG 3.35Å; Q901-L905 PolarHBondContact O-N 3.14Å; I902-L905 WeakPolarHBondContact O-CB 3.35Å; I902-L905 PolarHBondContact O-N 3.12Å; Q903-L905 VanDerWaalsContact C-N 3.34Å; L905-L907 VanDerWaalsContact C-N 3.34Å; L905-L907 PolarHBondContact O-N 3.11Å; L905-L908 PolarHBondContact O-N 3.14Å; L905-L909 WeakPolarHBondContact O-CB 3.22Å; L905-L909 VanDerWaalsContact O-CG 3.29Å; L905-L909 WeakPolarHBondContact O-CG 3.47Å; L905-L909 PolarHBondContact O-N 3.09Å |
| 906 | I | 86 | Confident | 84.4 | Confident | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.087 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 178.9 | -67.9 | 165.6 | 0 | 0 | 0 | 110.6 | I902 Q903 E904 L908 L909 H910 L911 V916 F947 | I902-I906 HydrophobicContact CG2-CD1 3.73Å; I902-I906 HydrophobicContact CG2-CG1 4.36Å; I902-I906 VanDerWaalsContact O-CG1 3.24Å; I902-I906 WeakPolarHBondContact O-CG1 3.23Å; I902-I906 PolarHBondContact O-N 3.29Å; Q903-I906 PolarHBondContact O-N 3.21Å; E904-I906 VanDerWaalsContact C-N 3.34Å; E904-I906 PolarHBondContact O-N 3.22Å; I906-L908 VanDerWaalsContact C-N 3.35Å; I906-L908 PolarHBondContact O-N 3.3Å; I906-L909 PolarHBondContact O-N 3.18Å; I906-H910 PolarHBondContact O-N 3.21Å; I906-L911 WeakPolarHBondContact CG2-O 3.18Å; I906-V916 HydrophobicContact CG1-CB 4.45Å; I906-V916 HydrophobicContact CG1-CG1 4.32Å; I906-V916 HydrophobicContact CG1-CG2 4.2Å; I906-F947 HydrophobicContact CD1-CD1 3.93Å; I906-F947 HydrophobicContact CD1-CE1 4.38Å |
| 907 | L | 86.1 | Confident | 84.3 | Confident | 120.5 Ų | 120.5 | 37.9 Ų | 37.9 | 63% | 0.631 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -62.3 | -43.4 | 178.2 | -74.7 | 169.2 | 0 | 0 | 0 | 111.9 | Q903 E904 L905 H910 | Q903-L907 HydrophobicContact CG-CD1 4.26Å; Q903-L907 WeakPolarHBondContact O-CB 3.37Å; Q903-L907 VanDerWaalsContact O-CG 3.29Å; Q903-L907 WeakPolarHBondContact O-CG 3.34Å; Q903-L907 PolarHBondContact O-N 3.06Å; E904-L907 PolarHBondContact O-N 3.2Å; L905-L907 VanDerWaalsContact C-N 3.34Å; L905-L907 PolarHBondContact O-N 3.11Å; L907-H910 PolarHBondContact O-N 3.16Å; L907-H910 PolarHBondContact O-ND1 3.23Å |
| 908 | L | 83.1 | Confident | 84 | Confident | 64.25 Ų | 64.25 | 39.7 Ų | 39.7 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.4 | -36.6 | 178.9 | -74.3 | 171.2 | 0 | 0 | 0 | 112.6 | C825 A828 T832 E904 L905 I906 H910 | C825-L908 HydrophobicContact CB-CD1 3.48Å; C825-L908 VanDerWaalsContact CB-CD1 3.48Å; A828-L908 HydrophobicContact CB-CB 3.96Å; T832-L908 WeakPolarHBondContact CG2-O 3.35Å; E904-L908 WeakPolarHBondContact O-CB 3.3Å; E904-L908 WeakPolarHBondContact O-CG 3.32Å; E904-L908 PolarHBondContact O-N 3.15Å; L905-L908 PolarHBondContact O-N 3.14Å; I906-L908 VanDerWaalsContact C-N 3.35Å; I906-L908 PolarHBondContact O-N 3.3Å; L908-H910 PolarHBondContact O-N 3.08Å |
| 909 | L | 79.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.3 | -16.3 | 177.9 | -72.4 | 171.2 | 0 | 0 | 0 | 113.5 | A828 Y831 V874 L905 I906 L911 V916 | A828-L909 HydrophobicContact CB-CD2 3.87Å; A828-L909 HydrophobicContact CB-CG 4Å; Y831-L909 HydrophobicContact CD1-CD2 3.7Å; Y831-L909 HydrophobicContact CE1-CD2 4.33Å; Y831-L909 HydrophobicContact CG-CD2 4.5Å; V874-L909 HydrophobicContact CG1-CD1 4.24Å; V874-L909 HydrophobicContact CG1-CD2 4.48Å; L905-L909 WeakPolarHBondContact O-CB 3.22Å; L905-L909 VanDerWaalsContact O-CG 3.29Å; L905-L909 WeakPolarHBondContact O-CG 3.47Å; L905-L909 PolarHBondContact O-N 3.09Å; I906-L909 PolarHBondContact O-N 3.18Å; L909-L911 HydrophobicContact CB-CB 4.45Å; L909-L911 HydrophobicContact CB-CD1 4.29Å; L909-L911 HydrophobicContact CB-CG 4.34Å; L909-L911 PolarHBondContact O-N 3.34Å; L909-V916 HydrophobicContact CD1-CG1 4.45Å; L909-V916 HydrophobicContact CD1-CG2 4.23Å |
| 910 | H | 78.1 | Confident | 83.2 | Confident | 134.75 Ų | 134.75 | 39.2 Ų | 39.2 | 62% | 0.624 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 32.1 | -172.5 | -60.6 | -55.7 | 0 | 0 | 0 | 113.9 | F836 I906 L907 L908 | F836-H910 HydrophobicContact CE2-CB 4.31Å; F836-H910 HydrophobicContact CZ-CB 4.42Å; I906-H910 PolarHBondContact O-N 3.21Å; L907-H910 PolarHBondContact O-N 3.16Å; L907-H910 PolarHBondContact O-ND1 3.23Å; L908-H910 PolarHBondContact O-N 3.08Å |
| 911 | L | 78 | Confident | 83.1 | Confident | 37 Ų | 37 | 38.2 Ų | 38.2 | 19% | 0.194 | 20% | 0.198 | C | C | . | . | trans | -115.8 | 143.9 | 178.6 | -65.2 | 171.8 | 0 | 0 | 0 | 110.6 | I906 L909 Q915 V916 L919 | I906-L911 WeakPolarHBondContact CG2-O 3.18Å; L909-L911 HydrophobicContact CB-CB 4.45Å; L909-L911 HydrophobicContact CB-CD1 4.29Å; L909-L911 HydrophobicContact CB-CG 4.34Å; L909-L911 PolarHBondContact O-N 3.34Å; L911-Q915 HydrophobicContact CB-CB 4.46Å; L911-V916 HydrophobicContact CB-CG2 3.83Å; L911-V916 HydrophobicContact CD1-CG2 4.48Å; L911-L919 HydrophobicContact CD1-CD1 3.64Å | ||
| 912 | P | 81.9 | Confident | 82.9 | Confident | 72.25 Ų | 72.25 | 39.6 Ų | 39.6 | 47% | 0.469 | 20% | 0.204 | S | C | . | . | trans | -63 | 147 | 170.1 | 27.9 | -34.3 | 0 | 0 | 0 | 110.5 | A914 Q915 V916 | P912-A914 PolarHBondContact O-N 3.23Å; P912-A914 VanDerWaalsContact O-N 3.1Å; P912-Q915 VanDerWaalsContact CD-OE1 3.29Å; P912-Q915 HydrophobicContact CG-CB 3.98Å; P912-Q915 VanDerWaalsContact CG-CD 3.49Å; P912-Q915 HydrophobicContact CG-CG 3.69Å; P912-Q915 WeakPolarHBondContact O-CB 3.38Å; P912-Q915 PolarHBondContact O-N 3.17Å; P912-V916 PolarHBondContact O-N 3.18Å | ||
| 913 | S | 82.9 | Confident | 82.6 | Confident | 29.5 Ų | 29.5 | 42.3 Ų | 42.3 | 21% | 0.206 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -52.6 | -36.3 | -176.9 | 29.6 | 0 | 0 | 0 | 0 | 113.5 | Q915 V916 I917 F947 V949 | S913-Q915 VanDerWaalsContact C-N 3.34Å; S913-Q915 PolarHBondContact O-N 3.16Å; S913-V916 PolarHBondContact O-N 3.03Å; S913-I917 WeakPolarHBondContact O-CD1 3.46Å; S913-I917 VanDerWaalsContact O-CG1 3.32Å; S913-I917 WeakPolarHBondContact O-CG1 3.29Å; S913-I917 PolarHBondContact O-N 3.07Å; S913-F947 WeakPolarHBondContact CB-O 3.36Å; S913-F947 PolarHBondContact OG-O 2.93Å; S913-V949 VanDerWaalsContact CB-CG2 3.44Å; S913-V949 WeakPolarHBondContact OG-CG2 3.43Å |
| 914 | A | 80.7 | Confident | 82.4 | Confident | 22.5 Ų | 22.5 | 40.1 Ų | 40.1 | 19% | 0.186 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P912 I917 R918 I953 | P912-A914 PolarHBondContact O-N 3.23Å; P912-A914 VanDerWaalsContact O-N 3.1Å; A914-I917 PolarHBondContact O-N 2.7Å; A914-R918 WeakPolarHBondContact O-CG 3.28Å; A914-R918 PolarHBondContact O-N 3.27Å; A914-R918 VanDerWaalsContact O-N 3.11Å; A914-I953 HydrophobicContact CB-CG2 4.06Å |
| 915 | Q | 79 | Confident | 82.4 | Confident | 32.75 Ų | 32.75 | 37.1 Ų | 37.1 | 15% | 0.153 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.8 | -34.8 | 176.8 | -73.9 | 179.7 | 0.5 | 0 | 0 | 111.7 | L911 P912 S913 I917 R918 L919 D1112 I1114 | L911-Q915 HydrophobicContact CB-CB 4.46Å; P912-Q915 VanDerWaalsContact CD-OE1 3.29Å; P912-Q915 HydrophobicContact CG-CB 3.98Å; P912-Q915 VanDerWaalsContact CG-CD 3.49Å; P912-Q915 HydrophobicContact CG-CG 3.69Å; P912-Q915 WeakPolarHBondContact O-CB 3.38Å; P912-Q915 PolarHBondContact O-N 3.17Å; S913-Q915 VanDerWaalsContact C-N 3.34Å; S913-Q915 PolarHBondContact O-N 3.16Å; Q915-I917 VanDerWaalsContact C-N 3.33Å; Q915-I917 PolarHBondContact O-N 3.45Å; Q915-R918 WeakPolarHBondContact O-CB 3.36Å; Q915-R918 PolarHBondContact O-N 3.19Å; Q915-L919 WeakPolarHBondContact O-CG 3.22Å; Q915-L919 PolarHBondContact O-N 3.34Å; Q915-D1112 PolarHBondContact NE2-O 3.46Å; Q915-D1112 VanDerWaalsContact NE2-O 3.12Å; Q915-I1114 HydrophobicContact CB-CD1 4.21Å; Q915-I1114 HydrophobicContact CB-CG1 4.29Å; Q915-I1114 HydrophobicContact CG-CD1 4.26Å; Q915-I1114 HydrophobicContact CG-CG1 4.15Å |
| 916 | V | 82.5 | Confident | 82.3 | Confident | 3.5 Ų | 3.5 | 41.5 Ų | 41.5 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 174.6 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | L878 I906 L909 L911 P912 S913 L919 S920 F947 | L878-V916 HydrophobicContact CD2-CG1 3.57Å; I906-V916 HydrophobicContact CG1-CB 4.45Å; I906-V916 HydrophobicContact CG1-CG1 4.32Å; I906-V916 HydrophobicContact CG1-CG2 4.2Å; L909-V916 HydrophobicContact CD1-CG1 4.45Å; L909-V916 HydrophobicContact CD1-CG2 4.23Å; L911-V916 HydrophobicContact CB-CG2 3.83Å; L911-V916 HydrophobicContact CD1-CG2 4.48Å; P912-V916 PolarHBondContact O-N 3.18Å; S913-V916 PolarHBondContact O-N 3.03Å; V916-L919 WeakPolarHBondContact O-CB 3.38Å; V916-L919 PolarHBondContact O-N 3.09Å; V916-S920 PolarHBondContact O-N 3.12Å; V916-S920 PolarHBondContact O-OG 3.16Å; V916-F947 HydrophobicContact CG1-CE1 4.31Å |
| 917 | I | 83.7 | Confident | 82 | Confident | 0.25 Ų | 0.25 | 41.3 Ų | 41.3 | 0% | 0.001 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 172.5 | -66.6 | 161 | 0 | 0 | 0 | 110.5 | S913 A914 Q915 L919 S920 D921 L924 F947 V949 L954 E957 L958 | S913-I917 WeakPolarHBondContact O-CD1 3.46Å; S913-I917 VanDerWaalsContact O-CG1 3.32Å; S913-I917 WeakPolarHBondContact O-CG1 3.29Å; S913-I917 PolarHBondContact O-N 3.07Å; A914-I917 PolarHBondContact O-N 2.7Å; Q915-I917 VanDerWaalsContact C-N 3.33Å; Q915-I917 PolarHBondContact O-N 3.45Å; I917-L919 VanDerWaalsContact C-N 3.32Å; I917-L919 PolarHBondContact O-N 3.09Å; I917-S920 CarbonylContact O-C 3.48Å; I917-S920 PolarHBondContact O-N 3.23Å; I917-S920 VanDerWaalsContact O-N 3.13Å; I917-S920 PolarHBondContact O-OG 3.05Å; I917-D921 WeakPolarHBondContact O-CA 3.28Å; I917-D921 PolarHBondContact O-N 3.15Å; I917-L924 HydrophobicContact CG2-CD1 4.22Å; I917-F947 HydrophobicContact CD1-CB 3.89Å; I917-F947 HydrophobicContact CD1-CD1 4.1Å; I917-F947 HydrophobicContact CD1-CD2 4.23Å; I917-F947 HydrophobicContact CD1-CG 3.81Å; I917-F947 HydrophobicContact CG1-CB 4.46Å; I917-F947 HydrophobicContact CG1-CD1 3.75Å; I917-F947 HydrophobicContact CG1-CD2 4.11Å; I917-F947 HydrophobicContact CG1-CE1 3.95Å; I917-F947 HydrophobicContact CG1-CE2 4.28Å; I917-F947 HydrophobicContact CG1-CG 3.85Å; I917-F947 HydrophobicContact CG1-CZ 4.21Å; I917-V949 HydrophobicContact CD1-CB 4.41Å; I917-V949 HydrophobicContact CD1-CG2 4.04Å; I917-L954 HydrophobicContact CD1-CD1 3.78Å; I917-L954 HydrophobicContact CG1-CD1 4.45Å; I917-L954 HydrophobicContact CG2-CD1 4.27Å; I917-E957 HydrophobicContact CG2-CB 4.16Å; I917-L958 HydrophobicContact CG2-CD1 4.22Å; I917-L958 HydrophobicContact CG2-CD2 3.68Å; I917-L958 HydrophobicContact CG2-CG 3.77Å |
| 918 | R | 79.3 | Confident | 81.8 | Confident | 65.25 Ų | 65.25 | 35.6 Ų | 35.6 | 25% | 0.246 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -36.7 | 177 | -96.9 | -178 | -134.1 | 164.9 | 3.3 | 113.1 | A914 Q915 S920 D921 E957 D1112 I1114 | A914-R918 WeakPolarHBondContact O-CG 3.28Å; A914-R918 PolarHBondContact O-N 3.27Å; A914-R918 VanDerWaalsContact O-N 3.11Å; Q915-R918 WeakPolarHBondContact O-CB 3.36Å; Q915-R918 PolarHBondContact O-N 3.19Å; R918-S920 PolarHBondContact O-N 3Å; R918-D921 VanDerWaalsContact O-CG 3.24Å; R918-D921 PolarHBondContact O-N 3.29Å; R918-E957 WeakPolarHBondContact CD-OE2 3.43Å; R918-E957 HydrophobicContact CG-CB 4.2Å; R918-E957 HydrophobicContact CG-CG 4.12Å; R918-E957 VanDerWaalsContact CG-OE2 3.27Å; R918-E957 WeakPolarHBondContact CG-OE2 3.38Å; R918-E957 IonicContact CZ-OE1 3.39Å; R918-E957 VanDerWaalsContact CZ-OE1 3.28Å; R918-E957 IonicContact CZ-OE2 3.36Å; R918-E957 VanDerWaalsContact CZ-OE2 3.23Å; R918-E957 IonicContact NE-OE1 3.24Å; R918-E957 PolarHBondContact NE-OE1 3.09Å; R918-E957 VanDerWaalsContact NE-OE1 3.14Å; R918-E957 IonicContact NE-OE2 3.55Å; R918-E957 PolarHBondContact NE-OE2 3.33Å; R918-E957 VanDerWaalsContact NH2-CD 3.34Å; R918-E957 IonicContact NH2-OE1 2.8Å; R918-E957 PolarHBondContact NH2-OE1 2.94Å; R918-E957 IonicContact NH2-OE2 3.23Å; R918-E957 PolarHBondContact NH2-OE2 3.15Å; R918-D1112 PolarHBondContact NH1-O 3.24Å; R918-D1112 VanDerWaalsContact NH1-O 3.12Å; R918-I1114 HydrophobicContact CB-CD1 3.65Å; R918-I1114 VanDerWaalsContact CB-CD1 3.43Å; R918-I1114 HydrophobicContact CG-CD1 4.13Å |
| 919 | L | 78.6 | Confident | 81.8 | Confident | 33.25 Ų | 33.25 | 32.8 Ų | 32.8 | 17% | 0.174 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -30.4 | 175.7 | -75 | 171.5 | 0 | 0 | 0 | 112.8 | I871 V875 L911 Q915 V916 I917 I1114 E1116 | I871-L919 HydrophobicContact CD1-CD1 4.14Å; I871-L919 HydrophobicContact CD1-CD2 4.24Å; V875-L919 HydrophobicContact CG2-CB 4.39Å; L911-L919 HydrophobicContact CD1-CD1 3.64Å; Q915-L919 WeakPolarHBondContact O-CG 3.22Å; Q915-L919 PolarHBondContact O-N 3.34Å; V916-L919 WeakPolarHBondContact O-CB 3.38Å; V916-L919 PolarHBondContact O-N 3.09Å; I917-L919 VanDerWaalsContact C-N 3.32Å; I917-L919 PolarHBondContact O-N 3.09Å; L919-I1114 HydrophobicContact CD2-CD1 4.09Å; L919-I1114 HydrophobicContact CD2-CG2 3.92Å; L919-I1114 HydrophobicContact CG-CD1 4.16Å; L919-I1114 HydrophobicContact CG-CG2 4.43Å; L919-E1116 HydrophobicContact CD2-CG 4.29Å; L919-E1116 WeakPolarHBondContact CD2-OE1 3.49Å; L919-E1116 WeakPolarHBondContact CD2-OE2 3.37Å |
| 920 | S | 81.3 | Confident | 81.7 | Confident | 1.25 Ų | 1.25 | 38.3 Ų | 38.3 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 11.6 | -174.3 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | L878 V916 I917 R918 H922 Q923 L924 | L878-S920 WeakPolarHBondContact CD2-OG 3.3Å; V916-S920 PolarHBondContact O-N 3.12Å; V916-S920 PolarHBondContact O-OG 3.16Å; I917-S920 CarbonylContact O-C 3.48Å; I917-S920 PolarHBondContact O-N 3.23Å; I917-S920 VanDerWaalsContact O-N 3.13Å; I917-S920 PolarHBondContact O-OG 3.05Å; R918-S920 PolarHBondContact O-N 3Å; S920-H922 PolarHBondContact O-N 3.2Å; S920-Q923 PolarHBondContact O-N 3.21Å; S920-Q923 VanDerWaalsContact O-N 3.1Å; S920-L924 WeakPolarHBondContact O-CB 3.37Å; S920-L924 WeakPolarHBondContact O-CG 3.25Å; S920-L924 PolarHBondContact O-N 2.99Å; S920-L924 VanDerWaalsContact OG-CD1 3.22Å; S920-L924 WeakPolarHBondContact OG-CD1 3.4Å |
| 921 | D | 85.5 | Confident | 81.5 | Confident | 40.25 Ų | 40.25 | 33.7 Ų | 33.7 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -51.4 | -48.5 | -168.7 | 65.2 | -16.1 | 0 | 0 | 0 | 113.9 | I917 R918 A925 L958 A961 | I917-D921 WeakPolarHBondContact O-CA 3.28Å; I917-D921 PolarHBondContact O-N 3.15Å; R918-D921 VanDerWaalsContact O-CG 3.24Å; R918-D921 PolarHBondContact O-N 3.29Å; D921-A925 WeakPolarHBondContact O-CB 3.29Å; D921-A925 PolarHBondContact O-N 3.14Å; D921-L958 HydrophobicContact CB-CD2 4.25Å; D921-A961 HydrophobicContact CB-CB 3.92Å; D921-A961 WeakPolarHBondContact O-CB 3.24Å |
| 922 | H | 83.5 | Confident | 81 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 16% | 0.157 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.5 | -39.4 | -178.8 | -74.7 | 4.7 | 0 | 0 | 0 | 112.6 | S920 A925 Q926 Y1010 R1014 | S920-H922 PolarHBondContact O-N 3.2Å; H922-A925 PolarHBondContact O-N 3.28Å; H922-Q926 WeakPolarHBondContact O-CG 3.29Å; H922-Q926 PolarHBondContact O-N 3.03Å; H922-Y1010 AromaticContact CD2-CE2 3.43Å; H922-Y1010 VanDerWaalsContact CD2-CE2 3.43Å; H922-Y1010 WeakPolarHBondContact CD2-CE2 3.21Å; H922-Y1010 AromaticContact CE1-CD2 3.6Å; H922-Y1010 AromaticContact CE1-CE2 3.37Å; H922-Y1010 WeakPolarHBondContact CE1-CE2 3.28Å; H922-Y1010 AromaticContact ND1-CE2 3.82Å; H922-Y1010 AromaticContact NE2-CD2 3.72Å; H922-Y1010 WeakPolarHBondContact NE2-CD2 3.24Å; H922-Y1010 AromaticContact NE2-CE2 3.48Å; H922-Y1010 WeakPolarHBondContact NE2-CE2 3.12Å; H922-R1014 PolarHBondContact CD2-NH1 3.2Å; H922-R1014 PolarHBondContact NE2-NH1 2.83Å |
| 923 | Q | 83.1 | Confident | 80.2 | Confident | 57 Ų | 57 | 36.1 Ų | 36.1 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -72.3 | -42.2 | 178.8 | -67.8 | -169.5 | 5.7 | 0 | 0 | 110.9 | V875 S879 S920 A925 Q926 I927 | V875-Q923 VanDerWaalsContact C-OE1 3.24Å; V875-Q923 HydrophobicContact CG1-CB 4.42Å; V875-Q923 HydrophobicContact CG1-CG 4.23Å; V875-Q923 PolarHBondContact O-OE1 2.95Å; V875-Q923 VanDerWaalsContact O-OE1 3.1Å; S879-Q923 PolarHBondContact OG-OE1 3.18Å; S920-Q923 PolarHBondContact O-N 3.21Å; S920-Q923 VanDerWaalsContact O-N 3.1Å; Q923-A925 VanDerWaalsContact C-N 3.31Å; Q923-A925 PolarHBondContact O-N 3.19Å; Q923-Q926 WeakPolarHBondContact O-CB 3.31Å; Q923-Q926 PolarHBondContact O-N 3.45Å; Q923-Q926 VanDerWaalsContact O-N 3.17Å; Q923-I927 WeakPolarHBondContact O-CD1 3.36Å; Q923-I927 WeakPolarHBondContact O-CG1 3.18Å; Q923-I927 PolarHBondContact O-N 3.23Å |
| 924 | L | 84.6 | Confident | 79.3 | Confident | 2.5 Ų | 2.5 | 37 Ų | 37 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 172.3 | -69.2 | 180 | 0 | 0 | 0 | 111 | C882 I917 S920 Q926 I927 I928 F947 L958 | C882-L924 HydrophobicContact CB-CD2 3.63Å; C882-L924 VanDerWaalsContact SG-CD2 3.57Å; I917-L924 HydrophobicContact CG2-CD1 4.22Å; S920-L924 WeakPolarHBondContact O-CB 3.37Å; S920-L924 WeakPolarHBondContact O-CG 3.25Å; S920-L924 PolarHBondContact O-N 2.99Å; S920-L924 VanDerWaalsContact OG-CD1 3.22Å; S920-L924 WeakPolarHBondContact OG-CD1 3.4Å; L924-Q926 VanDerWaalsContact C-N 3.33Å; L924-Q926 PolarHBondContact O-N 3.17Å; L924-I927 PolarHBondContact O-N 3.3Å; L924-I928 WeakPolarHBondContact O-CB 3.4Å; L924-I928 VanDerWaalsContact O-CD1 3.24Å; L924-I928 WeakPolarHBondContact O-CD1 3.44Å; L924-I928 WeakPolarHBondContact O-CG1 3.42Å; L924-I928 PolarHBondContact O-N 3.27Å; L924-F947 HydrophobicContact CD1-CE2 4.39Å; L924-F947 HydrophobicContact CD1-CZ 4.33Å; L924-L958 HydrophobicContact CB-CD2 4.14Å; L924-L958 HydrophobicContact CD1-CD2 4.29Å |
| 925 | A | 85.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D921 H922 Q923 I928 V929 A961 L962 T965 | D921-A925 WeakPolarHBondContact O-CB 3.29Å; D921-A925 PolarHBondContact O-N 3.14Å; H922-A925 PolarHBondContact O-N 3.28Å; Q923-A925 VanDerWaalsContact C-N 3.31Å; Q923-A925 PolarHBondContact O-N 3.19Å; A925-I928 PolarHBondContact O-N 2.87Å; A925-V929 WeakPolarHBondContact O-CB 3.33Å; A925-V929 VanDerWaalsContact O-CG2 3.25Å; A925-V929 WeakPolarHBondContact O-CG2 3.35Å; A925-V929 PolarHBondContact O-N 3.27Å; A925-V929 VanDerWaalsContact O-N 3.1Å; A925-A961 HydrophobicContact CB-CB 3.82Å; A925-L962 HydrophobicContact CB-CD2 3.88Å; A925-L962 HydrophobicContact CB-CG 4.06Å; A925-T965 HydrophobicContact CB-CG2 3.76Å |
| 926 | Q | 84.7 | Confident | 78.9 | Confident | 95.5 Ų | 95.5 | 37 Ų | 37 | 45% | 0.446 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.5 | -48.7 | 174.2 | -75.7 | 173.2 | -13.2 | 0 | 0 | 111.6 | H922 Q923 L924 I928 V929 E930 T965 | H922-Q926 WeakPolarHBondContact O-CG 3.29Å; H922-Q926 PolarHBondContact O-N 3.03Å; Q923-Q926 WeakPolarHBondContact O-CB 3.31Å; Q923-Q926 PolarHBondContact O-N 3.45Å; Q923-Q926 VanDerWaalsContact O-N 3.17Å; L924-Q926 VanDerWaalsContact C-N 3.33Å; L924-Q926 PolarHBondContact O-N 3.17Å; Q926-I928 VanDerWaalsContact C-N 3.34Å; Q926-I928 PolarHBondContact O-N 3.24Å; Q926-V929 PolarHBondContact O-N 2.93Å; Q926-V929 VanDerWaalsContact O-N 3.16Å; Q926-E930 WeakPolarHBondContact O-CG 3.29Å; Q926-E930 PolarHBondContact O-N 3.13Å; Q926-T965 HydrophobicContact CG-CG2 3.96Å |
| 927 | I | 80.3 | Confident | 78.7 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 179.4 | -66.8 | 160.1 | 0 | 0 | 0 | 111.4 | S879 R883 L886 Q923 L924 V929 E930 H931 | S879-I927 VanDerWaalsContact C-CD1 3.46Å; S879-I927 VanDerWaalsContact CA-CD1 3.49Å; S879-I927 VanDerWaalsContact CB-CD1 3.43Å; S879-I927 WeakPolarHBondContact O-CD1 3.36Å; S879-I927 WeakPolarHBondContact OG-CD1 3.47Å; R883-I927 HydrophobicContact CB-CD1 4.38Å; R883-I927 HydrophobicContact CB-CG1 4.44Å; R883-I927 HydrophobicContact CB-CG2 3.86Å; R883-I927 HydrophobicContact CG-CG2 4.24Å; L886-I927 HydrophobicContact CD1-CG2 3.81Å; Q923-I927 WeakPolarHBondContact O-CD1 3.36Å; Q923-I927 WeakPolarHBondContact O-CG1 3.18Å; Q923-I927 PolarHBondContact O-N 3.23Å; L924-I927 PolarHBondContact O-N 3.3Å; I927-V929 VanDerWaalsContact C-N 3.32Å; I927-V929 PolarHBondContact O-N 3.09Å; I927-E930 PolarHBondContact O-N 3.24Å; I927-H931 PolarHBondContact O-CD2 2.89Å; I927-H931 PolarHBondContact O-N 3.18Å; I927-H931 PolarHBondContact O-ND1 3.14Å |
| 928 | I | 82.5 | Confident | 78.7 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 178 | -67 | 159.7 | 0 | 0 | 0 | 109.3 | L924 A925 Q926 E930 H931 M932 L936 A939 M940 L943 L958 L962 | L924-I928 WeakPolarHBondContact O-CB 3.4Å; L924-I928 VanDerWaalsContact O-CD1 3.24Å; L924-I928 WeakPolarHBondContact O-CD1 3.44Å; L924-I928 WeakPolarHBondContact O-CG1 3.42Å; L924-I928 PolarHBondContact O-N 3.27Å; A925-I928 PolarHBondContact O-N 2.87Å; Q926-I928 VanDerWaalsContact C-N 3.34Å; Q926-I928 PolarHBondContact O-N 3.24Å; I928-E930 VanDerWaalsContact C-N 3.3Å; I928-E930 PolarHBondContact O-N 3.19Å; I928-H931 CarbonylContact O-C 3.53Å; I928-H931 PolarHBondContact O-N 3.22Å; I928-H931 VanDerWaalsContact O-N 3.09Å; I928-M932 HydrophobicContact CG2-CG 4.37Å; I928-M932 HydrophobicContact CG2-SD 3.8Å; I928-M932 WeakPolarHBondContact O-CG 3.32Å; I928-M932 PolarHBondContact O-N 3.26Å; I928-M932 VanDerWaalsContact O-SD 3.42Å; I928-L936 HydrophobicContact CG2-CD1 3.92Å; I928-A939 HydrophobicContact CG2-CB 4.45Å; I928-M940 HydrophobicContact CD1-CE 3.8Å; I928-M940 HydrophobicContact CD1-SD 4.34Å; I928-M940 HydrophobicContact CG2-CE 4.06Å; I928-L943 HydrophobicContact CD1-CD1 3.42Å; I928-L943 VanDerWaalsContact CD1-CD1 3.42Å; I928-L943 HydrophobicContact CG1-CD1 3.67Å; I928-L958 HydrophobicContact CD1-CD1 4.01Å; I928-L962 HydrophobicContact CB-CD2 3.87Å; I928-L962 HydrophobicContact CD1-CD1 4.39Å; I928-L962 HydrophobicContact CD1-CD2 3.97Å; I928-L962 HydrophobicContact CD1-CG 4.49Å; I928-L962 HydrophobicContact CG2-CD2 3.76Å |
| 929 | V | 81.4 | Confident | 78.8 | Confident | 7.25 Ų | 7.25 | 39 Ų | 39 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -33.8 | 179.4 | 170.4 | 0 | 0 | 0 | 0 | 112.7 | A925 Q926 I927 M932 L962 T965 L966 R969 | A925-V929 WeakPolarHBondContact O-CB 3.33Å; A925-V929 VanDerWaalsContact O-CG2 3.25Å; A925-V929 WeakPolarHBondContact O-CG2 3.35Å; A925-V929 PolarHBondContact O-N 3.27Å; A925-V929 VanDerWaalsContact O-N 3.1Å; Q926-V929 PolarHBondContact O-N 2.93Å; Q926-V929 VanDerWaalsContact O-N 3.16Å; I927-V929 VanDerWaalsContact C-N 3.32Å; I927-V929 PolarHBondContact O-N 3.09Å; V929-M932 VanDerWaalsContact CA-CG 3.49Å; V929-M932 HydrophobicContact CG2-SD 4.47Å; V929-M932 WeakPolarHBondContact O-CG 3.4Å; V929-L962 HydrophobicContact CG2-CD2 4.29Å; V929-T965 HydrophobicContact CB-CG2 4.12Å; V929-T965 HydrophobicContact CG1-CG2 4.34Å; V929-T965 HydrophobicContact CG2-CG2 3.91Å; V929-T965 WeakPolarHBondContact CG2-OG1 3.32Å; V929-L966 HydrophobicContact CB-CD2 4.48Å; V929-L966 HydrophobicContact CG1-CD2 4.01Å; V929-L966 HydrophobicContact CG2-CD2 3.78Å; V929-L966 HydrophobicContact CG2-CG 3.94Å; V929-R969 PolarHBondContact O-NH1 3.18Å; V929-R969 VanDerWaalsContact O-NH1 3.13Å |
| 930 | E | 79 | Confident | 79.1 | Confident | 122.5 Ų | 122.5 | 37.5 Ų | 37.5 | 57% | 0.572 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -69.2 | -35.6 | 173.6 | -74.2 | 175.2 | -177.1 | 0 | 0 | 112.4 | Q926 I927 I928 | Q926-E930 WeakPolarHBondContact O-CG 3.29Å; Q926-E930 PolarHBondContact O-N 3.13Å; I927-E930 PolarHBondContact O-N 3.24Å; I928-E930 VanDerWaalsContact C-N 3.3Å; I928-E930 PolarHBondContact O-N 3.19Å |
| 931 | H | 73.5 | Confident | 79.3 | Confident | 39.5 Ų | 39.5 | 42 Ų | 42 | 18% | 0.183 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 13.9 | -178.1 | -65.7 | 56 | 0 | 0 | 0 | 113.6 | R883 V887 I927 I928 D933 Q934 | R883-H931 WeakPolarHBondContact CG-NE2 3.49Å; V887-H931 VanDerWaalsContact CG2-NE2 3.31Å; V887-H931 WeakPolarHBondContact CG2-NE2 3.36Å; I927-H931 PolarHBondContact O-CD2 2.89Å; I927-H931 PolarHBondContact O-N 3.18Å; I927-H931 PolarHBondContact O-ND1 3.14Å; I928-H931 CarbonylContact O-C 3.53Å; I928-H931 PolarHBondContact O-N 3.22Å; I928-H931 VanDerWaalsContact O-N 3.09Å; H931-D933 PolarHBondContact O-N 3.21Å; H931-Q934 PolarHBondContact O-N 3.11Å; H931-Q934 VanDerWaalsContact O-N 3.16Å |
| 932 | M | 67.1 | Low | 79.3 | Confident | 7.5 Ų | 7.5 | 40.3 Ų | 40.3 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 5 | -179.2 | -84.6 | -127.4 | -0.4 | 0 | 0 | 115.4 | I928 V929 Q934 L936 L966 R977 | I928-M932 HydrophobicContact CG2-CG 4.37Å; I928-M932 HydrophobicContact CG2-SD 3.8Å; I928-M932 WeakPolarHBondContact O-CG 3.32Å; I928-M932 PolarHBondContact O-N 3.26Å; I928-M932 VanDerWaalsContact O-SD 3.42Å; V929-M932 VanDerWaalsContact CA-CG 3.49Å; V929-M932 HydrophobicContact CG2-SD 4.47Å; V929-M932 WeakPolarHBondContact O-CG 3.4Å; M932-Q934 CarbonylContact C-O 3.47Å; M932-Q934 VanDerWaalsContact C-O 3.3Å; M932-Q934 PolarHBondContact O-N 3.13Å; M932-L936 HydrophobicContact CE-CB 4.13Å; M932-L936 HydrophobicContact CE-CD1 4.04Å; M932-L936 HydrophobicContact CE-CG 4.36Å; M932-L936 HydrophobicContact CG-CD1 4.42Å; M932-L936 HydrophobicContact SD-CB 3.91Å; M932-L936 HydrophobicContact SD-CD1 3.98Å; M932-L936 VanDerWaalsContact SD-CD1 3.53Å; M932-L936 HydrophobicContact SD-CG 4.23Å; M932-L966 HydrophobicContact CE-CD1 4.29Å; M932-L966 HydrophobicContact CE-CD2 3.94Å; M932-L966 HydrophobicContact SD-CD2 4.36Å; M932-R977 HydrophobicContact CE-CB 3.7Å; M932-R977 VanDerWaalsContact CE-CD 3.45Å; M932-R977 HydrophobicContact CE-CG 3.85Å; M932-R977 PolarHBondContact O-NH1 3.39Å; M932-R977 PolarHBondContact O-NH2 3.02Å; M932-R977 HydrophobicContact SD-CB 4.13Å; M932-R977 HydrophobicContact SD-CG 4.15Å |
| 933 | D | 66.4 | Low | 79.4 | Confident | 152.25 Ų | 152.25 | 38.7 Ų | 38.7 | 81% | 0.814 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -30 | 163.9 | -68 | -19.1 | 0 | 0 | 0 | 110.6 | H931 | H931-D933 PolarHBondContact O-N 3.21Š|
| 934 | Q | 62.6 | Low | 79.7 | Confident | 47 Ų | 47 | 37.1 Ų | 37.1 | 22% | 0.22 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -79.9 | 151.1 | 167.8 | -60.1 | 176 | -0.4 | 0 | 0 | 110.7 | L886 H931 M932 L936 | L886-Q934 PolarHBondContact O-NE2 3.49Å; H931-Q934 PolarHBondContact O-N 3.11Å; H931-Q934 VanDerWaalsContact O-N 3.16Å; M932-Q934 CarbonylContact C-O 3.47Å; M932-Q934 VanDerWaalsContact C-O 3.3Å; M932-Q934 PolarHBondContact O-N 3.13Å; Q934-L936 PolarHBondContact O-N 3.27Å |
| 935 | S | 73.9 | Confident | 79.8 | Confident | 51.25 Ų | 51.25 | 42.9 Ų | 42.9 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | trans | -57.9 | 135 | 175.5 | 65.7 | 0 | 0 | 0 | 0 | 110.5 | C937 Q938 A939 | S935-C937 PolarHBondContact O-N 3.22Å; S935-C937 VanDerWaalsContact O-N 3.07Å; S935-Q938 WeakPolarHBondContact O-CB 3.35Å; S935-Q938 PolarHBondContact O-N 3.17Å; S935-Q938 WeakPolarHBondContact OG-CG 3.35Å; S935-Q938 PolarHBondContact OG-OE1 3.12Å; S935-A939 PolarHBondContact O-N 3.28Å | ||
| 936 | L | 77.7 | Confident | 79.9 | Confident | 5.75 Ų | 5.75 | 42.9 Ų | 42.9 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.3 | -34.7 | -179.5 | -176.7 | 82.9 | 0 | 0 | 0 | 111.9 | I928 M932 Q934 Q938 A939 M940 F955 L981 E984 | I928-L936 HydrophobicContact CG2-CD1 3.92Å; M932-L936 HydrophobicContact CE-CB 4.13Å; M932-L936 HydrophobicContact CE-CD1 4.04Å; M932-L936 HydrophobicContact CE-CG 4.36Å; M932-L936 HydrophobicContact CG-CD1 4.42Å; M932-L936 HydrophobicContact SD-CB 3.91Å; M932-L936 HydrophobicContact SD-CD1 3.98Å; M932-L936 VanDerWaalsContact SD-CD1 3.53Å; M932-L936 HydrophobicContact SD-CG 4.23Å; Q934-L936 PolarHBondContact O-N 3.27Å; L936-Q938 VanDerWaalsContact C-N 3.34Å; L936-Q938 PolarHBondContact O-N 3.22Å; L936-A939 PolarHBondContact O-N 3.1Å; L936-M940 HydrophobicContact CD1-CE 3.95Å; L936-M940 HydrophobicContact CD1-CG 4.41Å; L936-M940 HydrophobicContact CD2-CG 4.32Å; L936-M940 HydrophobicContact CG-CG 4.39Å; L936-M940 WeakPolarHBondContact O-CB 3.35Å; L936-M940 VanDerWaalsContact O-CG 3.29Å; L936-M940 WeakPolarHBondContact O-CG 3.35Å; L936-M940 PolarHBondContact O-N 3.27Å; L936-F955 HydrophobicContact CD2-CE1 4.17Å; L936-F955 HydrophobicContact CD2-CZ 4.13Å; L936-L981 HydrophobicContact CD1-CB 4.39Å; L936-L981 HydrophobicContact CD1-CD1 4.21Å; L936-L981 VanDerWaalsContact CD2-CA 3.46Å; L936-L981 HydrophobicContact CD2-CB 3.82Å; L936-L981 HydrophobicContact CD2-CD1 4.16Å; L936-L981 HydrophobicContact CD2-CG 4.26Å; L936-E984 HydrophobicContact CD2-CB 4.33Å |
| 937 | C | 79.2 | Confident | 80 | Confident | 34.25 Ų | 34.25 | 38.5 Ų | 38.5 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.4 | -45.5 | 176 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | S935 M940 E941 K951 E984 | S935-C937 PolarHBondContact O-N 3.22Å; S935-C937 VanDerWaalsContact O-N 3.07Å; C937-M940 PolarHBondContact O-N 3.34Å; C937-E941 VanDerWaalsContact O-CB 3.29Å; C937-E941 WeakPolarHBondContact O-CB 3.4Å; C937-E941 PolarHBondContact O-N 3.29Å; C937-K951 PolarHBondContact SG-NZ 3.35Å; C937-E984 PolarHBondContact SG-OE1 3.23Å; C937-E984 VanDerWaalsContact SG-OE1 3.33Å; C937-E984 PolarHBondContact SG-OE2 3.27Å |
| 938 | Q | 82.4 | Confident | 80.3 | Confident | 75.5 Ų | 75.5 | 46.8 Ų | 46.8 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.1 | -44.8 | -179.3 | -73.7 | 165.1 | -18.4 | 0 | 0 | 111 | S935 L936 M940 E941 S942 | S935-Q938 WeakPolarHBondContact O-CB 3.35Å; S935-Q938 PolarHBondContact O-N 3.17Å; S935-Q938 WeakPolarHBondContact OG-CG 3.35Å; S935-Q938 PolarHBondContact OG-OE1 3.12Å; L936-Q938 VanDerWaalsContact C-N 3.34Å; L936-Q938 PolarHBondContact O-N 3.22Å; Q938-M940 VanDerWaalsContact C-N 3.31Å; Q938-M940 PolarHBondContact O-N 3.22Å; Q938-E941 PolarHBondContact O-N 3.21Å; Q938-E941 VanDerWaalsContact O-N 3.16Å; Q938-S942 WeakPolarHBondContact O-CB 3.37Å; Q938-S942 PolarHBondContact O-N 3.14Å; Q938-S942 PolarHBondContact O-OG 3.08Å; Q938-S942 VanDerWaalsContact O-OG 3.11Å |
| 939 | A | 82.7 | Confident | 80.5 | Confident | 1.5 Ų | 1.5 | 47.3 Ų | 47.3 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L886 I928 S935 L936 S942 L943 | L886-A939 HydrophobicContact CD2-CB 4.09Å; I928-A939 HydrophobicContact CG2-CB 4.45Å; S935-A939 PolarHBondContact O-N 3.28Å; L936-A939 PolarHBondContact O-N 3.1Å; A939-S942 PolarHBondContact O-N 3.1Å; A939-L943 WeakPolarHBondContact O-CG 3.36Å; A939-L943 PolarHBondContact O-N 3.31Å |
| 940 | M | 83.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.9 | -37.3 | 176.5 | -71.2 | -66.3 | -152.1 | 0 | 0 | 112.9 | I928 L936 C937 Q938 L943 S944 L954 F955 L958 L962 | I928-M940 HydrophobicContact CD1-CE 3.8Å; I928-M940 HydrophobicContact CD1-SD 4.34Å; I928-M940 HydrophobicContact CG2-CE 4.06Å; L936-M940 HydrophobicContact CD1-CE 3.95Å; L936-M940 HydrophobicContact CD1-CG 4.41Å; L936-M940 HydrophobicContact CD2-CG 4.32Å; L936-M940 HydrophobicContact CG-CG 4.39Å; L936-M940 WeakPolarHBondContact O-CB 3.35Å; L936-M940 VanDerWaalsContact O-CG 3.29Å; L936-M940 WeakPolarHBondContact O-CG 3.35Å; L936-M940 PolarHBondContact O-N 3.27Å; C937-M940 PolarHBondContact O-N 3.34Å; Q938-M940 VanDerWaalsContact C-N 3.31Å; Q938-M940 PolarHBondContact O-N 3.22Å; M940-L943 PolarHBondContact O-N 3.16Å; M940-S944 VanDerWaalsContact O-CB 3.25Å; M940-S944 WeakPolarHBondContact O-CB 3.29Å; M940-S944 PolarHBondContact O-N 3Å; M940-S944 PolarHBondContact O-OG 3.41Å; M940-L954 HydrophobicContact CB-CD2 4.35Å; M940-L954 HydrophobicContact CE-CB 4.45Å; M940-L954 HydrophobicContact CE-CD2 3.71Å; M940-L954 HydrophobicContact CE-CG 3.73Å; M940-L954 VanDerWaalsContact O-CD2 3.24Å; M940-L954 WeakPolarHBondContact O-CD2 3.28Å; M940-L954 HydrophobicContact SD-CD2 3.79Å; M940-L954 HydrophobicContact SD-CG 4.12Å; M940-F955 HydrophobicContact CB-CE2 3.78Å; M940-F955 HydrophobicContact CB-CZ 4.21Å; M940-F955 HydrophobicContact CE-CB 4.45Å; M940-F955 HydrophobicContact CE-CD1 4.04Å; M940-F955 HydrophobicContact CE-CD2 3.76Å; M940-F955 VanDerWaalsContact CE-CD2 3.44Å; M940-F955 HydrophobicContact CE-CE1 4.13Å; M940-F955 HydrophobicContact CE-CE2 3.96Å; M940-F955 HydrophobicContact CE-CG 3.94Å; M940-F955 HydrophobicContact CE-CZ 4.02Å; M940-F955 HydrophobicContact CG-CE2 3.68Å; M940-F955 HydrophobicContact CG-CZ 3.73Å; M940-F955 HydrophobicContact SD-CD2 4.41Å; M940-F955 HydrophobicContact SD-CE2 4.11Å; M940-F955 HydrophobicContact SD-CZ 4.41Å; M940-L958 HydrophobicContact CE-CB 4.47Å; M940-L958 HydrophobicContact CE-CD1 4.44Å; M940-L958 HydrophobicContact SD-CD1 4.4Å; M940-L962 HydrophobicContact CE-CD1 3.28Å; M940-L962 HydrophobicContact CE-CD2 4.45Å; M940-L962 HydrophobicContact SD-CD1 4.25Å |
| 941 | E | 85.5 | Confident | 81 | Confident | 95.75 Ų | 95.75 | 50.1 Ų | 50.1 | 45% | 0.447 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.1 | -40.6 | 175.7 | -171.6 | 172.1 | -177 | 0 | 0 | 111.4 | C937 Q938 L943 S944 R945 | C937-E941 VanDerWaalsContact O-CB 3.29Å; C937-E941 WeakPolarHBondContact O-CB 3.4Å; C937-E941 PolarHBondContact O-N 3.29Å; Q938-E941 PolarHBondContact O-N 3.21Å; Q938-E941 VanDerWaalsContact O-N 3.16Å; E941-L943 PolarHBondContact O-N 3.33Å; E941-S944 WeakPolarHBondContact CA-OG 3.46Å; E941-S944 WeakPolarHBondContact O-CB 3.39Å; E941-S944 PolarHBondContact O-N 3.13Å; E941-S944 PolarHBondContact O-OG 3.37Å; E941-R945 WeakPolarHBondContact O-CB 3.32Å; E941-R945 VanDerWaalsContact O-CG 3.3Å; E941-R945 WeakPolarHBondContact O-CG 3.45Å; E941-R945 PolarHBondContact O-N 3.13Å; E941-R945 PolarHBondContact O-NE 3.46Å; E941-R945 VanDerWaalsContact O-NE 3.14Å; E941-R945 IonicContact OE1-CZ 3.14Å; E941-R945 IonicContact OE1-NE 3.24Å; E941-R945 IonicContact OE1-NH2 3.62Å; E941-R945 PolarHBondContact OE1-NH2 3.13Å; E941-R945 IonicContact OE2-NH2 3.2Å |
| 942 | S | 85.5 | Confident | 81.6 | Confident | 4.75 Ų | 4.75 | 54.4 Ų | 54.4 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 173.6 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | Q889 F895 Q938 A939 S944 R945 L946 | Q889-S942 PolarHBondContact OE1-OG 3.06Å; F895-S942 WeakPolarHBondContact CZ-O 3.35Å; Q938-S942 WeakPolarHBondContact O-CB 3.37Å; Q938-S942 PolarHBondContact O-N 3.14Å; Q938-S942 PolarHBondContact O-OG 3.08Å; Q938-S942 VanDerWaalsContact O-OG 3.11Å; A939-S942 PolarHBondContact O-N 3.1Å; S942-S944 PolarHBondContact O-N 3.08Å; S942-R945 PolarHBondContact O-N 3.19Å; S942-R945 PolarHBondContact OG-NH2 3.38Å; S942-L946 WeakPolarHBondContact O-CG 3.43Å; S942-L946 PolarHBondContact O-N 3.01Å |
| 943 | L | 86.9 | Confident | 82.4 | Confident | 0.75 Ų | 0.75 | 57.4 Ų | 57.4 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 175 | -73 | 170.5 | 0 | 0 | 0 | 112.9 | C882 L886 I928 A939 M940 E941 R945 L946 F947 L954 L958 | C882-L943 HydrophobicContact CB-CD2 4.27Å; L886-L943 HydrophobicContact CD2-CG 4.36Å; I928-L943 HydrophobicContact CD1-CD1 3.42Å; I928-L943 VanDerWaalsContact CD1-CD1 3.42Å; I928-L943 HydrophobicContact CG1-CD1 3.67Å; A939-L943 WeakPolarHBondContact O-CG 3.36Å; A939-L943 PolarHBondContact O-N 3.31Å; M940-L943 PolarHBondContact O-N 3.16Å; E941-L943 PolarHBondContact O-N 3.33Å; L943-R945 VanDerWaalsContact C-N 3.27Å; L943-R945 PolarHBondContact O-N 3.26Å; L943-L946 HydrophobicContact CD2-CD1 4.32Å; L943-L946 PolarHBondContact O-N 3.14Å; L943-F947 HydrophobicContact CD2-CD2 4.48Å; L943-F947 HydrophobicContact CD2-CE2 4.13Å; L943-F947 WeakPolarHBondContact O-CD2 3.41Å; L943-F947 PolarHBondContact O-N 3.06Å; L943-L954 HydrophobicContact CB-CD1 4.44Å; L943-L954 HydrophobicContact CB-CD2 3.84Å; L943-L958 HydrophobicContact CD1-CD1 4.44Å |
| 944 | S | 88.5 | Confident | 83.3 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -40.2 | 175.3 | 155.4 | 0 | 0 | 0 | 0 | 111.5 | M940 E941 S942 R948 V949 | M940-S944 VanDerWaalsContact O-CB 3.25Å; M940-S944 WeakPolarHBondContact O-CB 3.29Å; M940-S944 PolarHBondContact O-N 3Å; M940-S944 PolarHBondContact O-OG 3.41Å; E941-S944 WeakPolarHBondContact CA-OG 3.46Å; E941-S944 WeakPolarHBondContact O-CB 3.39Å; E941-S944 PolarHBondContact O-N 3.13Å; E941-S944 PolarHBondContact O-OG 3.37Å; S942-S944 PolarHBondContact O-N 3.08Å; S944-R948 WeakPolarHBondContact O-CA 3.26Å; S944-R948 PolarHBondContact O-N 3.2Å; S944-R948 VanDerWaalsContact O-N 3.08Å; S944-V949 VanDerWaalsContact CB-O 3.31Å; S944-V949 WeakPolarHBondContact CB-O 3.24Å; S944-V949 PolarHBondContact O-N 3.21Å; S944-V949 VanDerWaalsContact O-N 3.16Å; S944-V949 PolarHBondContact OG-O 3.01Å |
| 945 | R | 87.9 | Confident | 84.4 | Confident | 124.25 Ų | 124.25 | 48 Ų | 48 | 47% | 0.469 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.4 | -41 | 174.1 | -69.3 | 173.7 | -151.2 | 172.9 | 1.6 | 112.4 | F895 E941 S942 L943 | F895-R945 HydrophobicContact CE1-CB 4.06Å; F895-R945 HydrophobicContact CZ-CB 3.99Å; E941-R945 WeakPolarHBondContact O-CB 3.32Å; E941-R945 VanDerWaalsContact O-CG 3.3Å; E941-R945 WeakPolarHBondContact O-CG 3.45Å; E941-R945 PolarHBondContact O-N 3.13Å; E941-R945 PolarHBondContact O-NE 3.46Å; E941-R945 VanDerWaalsContact O-NE 3.14Å; E941-R945 IonicContact OE1-CZ 3.14Å; E941-R945 IonicContact OE1-NE 3.24Å; E941-R945 IonicContact OE1-NH2 3.62Å; E941-R945 PolarHBondContact OE1-NH2 3.13Å; E941-R945 IonicContact OE2-NH2 3.2Å; S942-R945 PolarHBondContact O-N 3.19Å; S942-R945 PolarHBondContact OG-NH2 3.38Å; L943-R945 VanDerWaalsContact C-N 3.27Å; L943-R945 PolarHBondContact O-N 3.26Å |
| 946 | L | 86.8 | Confident | 84.9 | Confident | 0.5 Ų | 0.5 | 52.4 Ų | 52.4 | 0% | 0.003 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 179.2 | -74.1 | 174.4 | 0 | 0 | 0 | 112.6 | F895 V898 Y899 I902 Q903 S942 L943 | F895-L946 HydrophobicContact CD1-CD2 4.42Å; F895-L946 HydrophobicContact CD2-CD2 4.11Å; F895-L946 HydrophobicContact CE1-CD2 3.96Å; F895-L946 HydrophobicContact CE1-CG 4.33Å; F895-L946 HydrophobicContact CE2-CD1 4.04Å; F895-L946 HydrophobicContact CE2-CD2 3.62Å; F895-L946 HydrophobicContact CE2-CG 3.65Å; F895-L946 HydrophobicContact CG-CD2 4.48Å; F895-L946 HydrophobicContact CZ-CD1 4.37Å; F895-L946 HydrophobicContact CZ-CD2 3.55Å; F895-L946 VanDerWaalsContact CZ-CD2 3.5Å; F895-L946 HydrophobicContact CZ-CG 3.52Å; V898-L946 HydrophobicContact CB-CD2 4.45Å; V898-L946 HydrophobicContact CG1-CD2 3.99Å; Y899-L946 VanDerWaalsContact CD2-O 3.28Å; Y899-L946 WeakPolarHBondContact CD2-O 3.29Å; Y899-L946 WeakPolarHBondContact CE2-O 3.42Å; I902-L946 HydrophobicContact CD1-CB 4.38Å; I902-L946 HydrophobicContact CD1-CD1 4.33Å; I902-L946 HydrophobicContact CD1-CD2 4.45Å; Q903-L946 PolarHBondContact NE2-O 3.37Å; Q903-L946 VanDerWaalsContact NE2-O 3.1Å; S942-L946 WeakPolarHBondContact O-CG 3.43Å; S942-L946 PolarHBondContact O-N 3.01Å; L943-L946 HydrophobicContact CD2-CD1 4.32Å; L943-L946 PolarHBondContact O-N 3.14Å |
| 947 | F | 87.5 | Confident | 85.2 | Confident | 2.25 Ų | 2.25 | 53.5 Ų | 53.5 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -90.5 | -7.7 | -176.7 | -74 | -83.9 | 0 | 0 | 0 | 114.3 | L878 I902 I906 S913 V916 I917 L924 L943 V949 | L878-F947 HydrophobicContact CD1-CE1 4.23Å; L878-F947 HydrophobicContact CD1-CZ 4.16Å; L878-F947 HydrophobicContact CD2-CE1 4.4Å; L878-F947 HydrophobicContact CD2-CZ 4.31Å; L878-F947 HydrophobicContact CG-CZ 4.37Å; I902-F947 HydrophobicContact CG2-CD1 4.12Å; I902-F947 HydrophobicContact CG2-CE1 3.91Å; I902-F947 HydrophobicContact CG2-CZ 4.39Å; I906-F947 HydrophobicContact CD1-CD1 3.93Å; I906-F947 HydrophobicContact CD1-CE1 4.38Å; S913-F947 WeakPolarHBondContact CB-O 3.36Å; S913-F947 PolarHBondContact OG-O 2.93Å; V916-F947 HydrophobicContact CG1-CE1 4.31Å; I917-F947 HydrophobicContact CD1-CB 3.89Å; I917-F947 HydrophobicContact CD1-CD1 4.1Å; I917-F947 HydrophobicContact CD1-CD2 4.23Å; I917-F947 HydrophobicContact CD1-CG 3.81Å; I917-F947 HydrophobicContact CG1-CB 4.46Å; I917-F947 HydrophobicContact CG1-CD1 3.75Å; I917-F947 HydrophobicContact CG1-CD2 4.11Å; I917-F947 HydrophobicContact CG1-CE1 3.95Å; I917-F947 HydrophobicContact CG1-CE2 4.28Å; I917-F947 HydrophobicContact CG1-CG 3.85Å; I917-F947 HydrophobicContact CG1-CZ 4.21Å; L924-F947 HydrophobicContact CD1-CE2 4.39Å; L924-F947 HydrophobicContact CD1-CZ 4.33Å; L943-F947 HydrophobicContact CD2-CD2 4.48Å; L943-F947 HydrophobicContact CD2-CE2 4.13Å; L943-F947 WeakPolarHBondContact O-CD2 3.41Å; L943-F947 PolarHBondContact O-N 3.06Å; F947-V949 VanDerWaalsContact C-N 3.32Å; F947-V949 HydrophobicContact CB-CB 4.46Å; F947-V949 HydrophobicContact CB-CG2 3.99Å; F947-V949 PolarHBondContact O-N 3.26Å |
| 948 | R | 86.8 | Confident | 85.6 | Confident | 185 Ų | 185 | 51.8 Ų | 51.8 | 70% | 0.698 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 48.9 | -169 | -75 | -173 | 170.8 | 179.1 | 7.4 | 112.5 | Y899 S944 | Y899-R948 HydrophobicContact CE2-CG 3.98Å; Y899-R948 VanDerWaalsContact OH-CD 3.29Å; Y899-R948 WeakPolarHBondContact OH-CD 3.27Å; Y899-R948 PolarHBondContact OH-NE 3.33Å; Y899-R948 PolarHBondContact OH-NH1 2.87Å; Y899-R948 PolarHBondContact OH-NH2 3.27Å; S944-R948 WeakPolarHBondContact O-CA 3.26Å; S944-R948 PolarHBondContact O-N 3.2Å; S944-R948 VanDerWaalsContact O-N 3.08Å |
| 949 | V | 86.7 | Confident | 85.9 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | trans | -122.1 | 136.1 | 179.3 | 177.1 | 0 | 0 | 0 | 0 | 109 | S913 I917 S944 F947 K951 I953 | S913-V949 VanDerWaalsContact CB-CG2 3.44Å; S913-V949 WeakPolarHBondContact OG-CG2 3.43Å; I917-V949 HydrophobicContact CD1-CB 4.41Å; I917-V949 HydrophobicContact CD1-CG2 4.04Å; S944-V949 VanDerWaalsContact CB-O 3.31Å; S944-V949 WeakPolarHBondContact CB-O 3.24Å; S944-V949 PolarHBondContact O-N 3.21Å; S944-V949 VanDerWaalsContact O-N 3.16Å; S944-V949 PolarHBondContact OG-O 3.01Å; F947-V949 VanDerWaalsContact C-N 3.32Å; F947-V949 HydrophobicContact CB-CB 4.46Å; F947-V949 HydrophobicContact CB-CG2 3.99Å; F947-V949 PolarHBondContact O-N 3.26Å; V949-K951 PolarHBondContact O-N 3.21Å; V949-I953 HydrophobicContact CG1-CB 3.55Å; V949-I953 HydrophobicContact CG1-CD1 4.43Å; V949-I953 HydrophobicContact CG1-CG2 3.59Å | ||
| 950 | D | 86.4 | Confident | 86.1 | Confident | 116.75 Ų | 116.75 | 49.1 Ų | 49.1 | 62% | 0.624 | 22% | 0.223 | S | C | * | . | trans | -54.6 | 139.3 | 175 | -74.1 | -20.8 | 0 | 0 | 0 | 111.3 | K952 I953 L954 | D950-K952 PolarHBondContact O-N 3.28Å; D950-I953 HydrophobicContact CB-CD1 4.35Å; D950-I953 HydrophobicContact CB-CG1 4.45Å; D950-I953 PolarHBondContact O-N 3.23Å; D950-L954 PolarHBondContact O-N 3.18Å; D950-L954 VanDerWaalsContact O-N 3.07Å | ||
| 951 | K | 83.9 | Confident | 86.3 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -48.5 | -38.2 | 177.2 | -171.6 | 178.2 | 178.3 | -174.1 | 0 | 111.5 | C937 V949 I953 L954 F955 E984 | C937-K951 PolarHBondContact SG-NZ 3.35Å; V949-K951 PolarHBondContact O-N 3.21Å; K951-I953 PolarHBondContact O-N 3.08Å; K951-L954 PolarHBondContact O-N 3.02Å; K951-F955 HydrophobicContact CD-CE2 4.08Å; K951-F955 HydrophobicContact CG-CD2 3.67Å; K951-F955 HydrophobicContact CG-CE2 3.61Å; K951-F955 VanDerWaalsContact O-CD2 3.25Å; K951-F955 WeakPolarHBondContact O-CD2 3.39Å; K951-F955 PolarHBondContact O-N 3.28Å; K951-E984 IonicContact NZ-OE2 3.49Å; K951-E984 PolarHBondContact NZ-OE2 3.31Å |
| 952 | K | 84.9 | Confident | 86.4 | Confident | 129.75 Ų | 129.75 | 44.7 Ų | 44.7 | 56% | 0.564 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60.1 | -45.2 | 178.3 | -66.1 | -174.7 | 176.4 | -178.8 | 0 | 113.3 | D950 K956 P986 | D950-K952 PolarHBondContact O-N 3.28Å; K952-K956 WeakPolarHBondContact O-CB 3.36Å; K952-K956 PolarHBondContact O-N 2.88Å; K952-K956 VanDerWaalsContact O-N 3.09Å; K952-P986 HydrophobicContact CB-CG 4.3Å; K952-P986 HydrophobicContact CG-CB 4.06Å; K952-P986 HydrophobicContact CG-CG 3.72Å |
| 953 | I | 84.5 | Confident | 86.5 | Confident | 70.75 Ų | 70.75 | 44.5 Ų | 44.5 | 36% | 0.363 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71.6 | -43 | -179.4 | -61.2 | 169.2 | 0 | 0 | 0 | 109.3 | A914 V949 D950 K951 F955 K956 E957 | A914-I953 HydrophobicContact CB-CG2 4.06Å; V949-I953 HydrophobicContact CG1-CB 3.55Å; V949-I953 HydrophobicContact CG1-CD1 4.43Å; V949-I953 HydrophobicContact CG1-CG2 3.59Å; D950-I953 HydrophobicContact CB-CD1 4.35Å; D950-I953 HydrophobicContact CB-CG1 4.45Å; D950-I953 PolarHBondContact O-N 3.23Å; K951-I953 PolarHBondContact O-N 3.08Å; I953-F955 VanDerWaalsContact C-N 3.33Å; I953-F955 PolarHBondContact O-N 3.19Å; I953-K956 WeakPolarHBondContact O-CB 3.42Å; I953-K956 PolarHBondContact O-N 2.89Å; I953-K956 VanDerWaalsContact O-N 3.12Å; I953-E957 HydrophobicContact CG2-CG 4.43Å; I953-E957 WeakPolarHBondContact O-CG 3.28Å; I953-E957 PolarHBondContact O-N 3.09Å; I953-E957 VanDerWaalsContact O-N 3.1Å |
| 954 | L | 85.7 | Confident | 86.6 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.3 | -47.1 | 176.8 | -175.7 | 71.8 | 0 | 0 | 0 | 111.9 | I917 M940 L943 D950 K951 E957 L958 | I917-L954 HydrophobicContact CD1-CD1 3.78Å; I917-L954 HydrophobicContact CG1-CD1 4.45Å; I917-L954 HydrophobicContact CG2-CD1 4.27Å; M940-L954 HydrophobicContact CB-CD2 4.35Å; M940-L954 HydrophobicContact CE-CB 4.45Å; M940-L954 HydrophobicContact CE-CD2 3.71Å; M940-L954 HydrophobicContact CE-CG 3.73Å; M940-L954 VanDerWaalsContact O-CD2 3.24Å; M940-L954 WeakPolarHBondContact O-CD2 3.28Å; M940-L954 HydrophobicContact SD-CD2 3.79Å; M940-L954 HydrophobicContact SD-CG 4.12Å; L943-L954 HydrophobicContact CB-CD1 4.44Å; L943-L954 HydrophobicContact CB-CD2 3.84Å; D950-L954 PolarHBondContact O-N 3.18Å; D950-L954 VanDerWaalsContact O-N 3.07Å; K951-L954 PolarHBondContact O-N 3.02Å; L954-E957 PolarHBondContact O-N 3.02Å; L954-L958 HydrophobicContact CD1-CD1 3.62Å; L954-L958 HydrophobicContact CD1-CG 4.36Å; L954-L958 HydrophobicContact CG-CD1 4Å; L954-L958 WeakPolarHBondContact O-CB 3.44Å; L954-L958 PolarHBondContact O-N 3.24Å |
| 955 | F | 85.8 | Confident | 86.5 | Confident | 0.5 Ų | 0.5 | 44.4 Ų | 44.4 | 0% | 0.002 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 174.9 | -91.2 | -95.5 | 0 | 0 | 0 | 111.3 | L936 M940 K951 I953 E957 L958 I959 L981 E984 V985 Y987 | L936-F955 HydrophobicContact CD2-CE1 4.17Å; L936-F955 HydrophobicContact CD2-CZ 4.13Å; M940-F955 HydrophobicContact CB-CE2 3.78Å; M940-F955 HydrophobicContact CB-CZ 4.21Å; M940-F955 HydrophobicContact CE-CB 4.45Å; M940-F955 HydrophobicContact CE-CD1 4.04Å; M940-F955 HydrophobicContact CE-CD2 3.76Å; M940-F955 VanDerWaalsContact CE-CD2 3.44Å; M940-F955 HydrophobicContact CE-CE1 4.13Å; M940-F955 HydrophobicContact CE-CE2 3.96Å; M940-F955 HydrophobicContact CE-CG 3.94Å; M940-F955 HydrophobicContact CE-CZ 4.02Å; M940-F955 HydrophobicContact CG-CE2 3.68Å; M940-F955 HydrophobicContact CG-CZ 3.73Å; M940-F955 HydrophobicContact SD-CD2 4.41Å; M940-F955 HydrophobicContact SD-CE2 4.11Å; M940-F955 HydrophobicContact SD-CZ 4.41Å; K951-F955 HydrophobicContact CD-CE2 4.08Å; K951-F955 HydrophobicContact CG-CD2 3.67Å; K951-F955 HydrophobicContact CG-CE2 3.61Å; K951-F955 VanDerWaalsContact O-CD2 3.25Å; K951-F955 WeakPolarHBondContact O-CD2 3.39Å; K951-F955 PolarHBondContact O-N 3.28Å; I953-F955 VanDerWaalsContact C-N 3.33Å; I953-F955 PolarHBondContact O-N 3.19Å; F955-E957 PolarHBondContact O-N 3.28Å; F955-L958 PolarHBondContact O-N 3Å; F955-I959 HydrophobicContact CB-CD1 3.78Å; F955-I959 HydrophobicContact CB-CG1 4.21Å; F955-I959 HydrophobicContact CD1-CD1 4.19Å; F955-I959 HydrophobicContact CD1-CG1 3.88Å; F955-I959 HydrophobicContact CG-CD1 4.33Å; F955-I959 WeakPolarHBondContact O-CB 3.36Å; F955-I959 WeakPolarHBondContact O-CD1 3.32Å; F955-I959 WeakPolarHBondContact O-CG1 3.43Å; F955-I959 WeakPolarHBondContact O-CG2 3.42Å; F955-I959 PolarHBondContact O-N 3.4Å; F955-L981 HydrophobicContact CE1-CD1 4.39Å; F955-E984 HydrophobicContact CE1-CB 4.2Å; F955-E984 HydrophobicContact CZ-CB 4.11Å; F955-V985 HydrophobicContact CD1-CG2 4.22Å; F955-V985 HydrophobicContact CE1-CG2 4.46Å; F955-Y987 HydrophobicContact CB-CE1 4.32Å |
| 956 | K | 84.3 | Confident | 86.4 | Confident | 143 Ų | 143 | 38.6 Ų | 38.6 | 62% | 0.622 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -55.2 | -38.6 | 179.3 | -173.8 | -177.6 | 176.3 | -175.1 | 0 | 112.6 | K952 I953 Y987 | K952-K956 WeakPolarHBondContact O-CB 3.36Å; K952-K956 PolarHBondContact O-N 2.88Å; K952-K956 VanDerWaalsContact O-N 3.09Å; I953-K956 WeakPolarHBondContact O-CB 3.42Å; I953-K956 PolarHBondContact O-N 2.89Å; I953-K956 VanDerWaalsContact O-N 3.12Å; K956-Y987 HydrophobicContact CB-CE1 4.47Å |
| 957 | E | 84.5 | Confident | 86.4 | Confident | 28.75 Ų | 28.75 | 38.7 Ų | 38.7 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -82.6 | -37.7 | -178.4 | -57.3 | -54.1 | 164.6 | 0 | 0 | 113.7 | I917 R918 I953 L954 F955 | I917-E957 HydrophobicContact CG2-CB 4.16Å; R918-E957 WeakPolarHBondContact CD-OE2 3.43Å; R918-E957 HydrophobicContact CG-CB 4.2Å; R918-E957 HydrophobicContact CG-CG 4.12Å; R918-E957 VanDerWaalsContact CG-OE2 3.27Å; R918-E957 WeakPolarHBondContact CG-OE2 3.38Å; R918-E957 IonicContact CZ-OE1 3.39Å; R918-E957 VanDerWaalsContact CZ-OE1 3.28Å; R918-E957 IonicContact CZ-OE2 3.36Å; R918-E957 VanDerWaalsContact CZ-OE2 3.23Å; R918-E957 IonicContact NE-OE1 3.24Å; R918-E957 PolarHBondContact NE-OE1 3.09Å; R918-E957 VanDerWaalsContact NE-OE1 3.14Å; R918-E957 IonicContact NE-OE2 3.55Å; R918-E957 PolarHBondContact NE-OE2 3.33Å; R918-E957 VanDerWaalsContact NH2-CD 3.34Å; R918-E957 IonicContact NH2-OE1 2.8Å; R918-E957 PolarHBondContact NH2-OE1 2.94Å; R918-E957 IonicContact NH2-OE2 3.23Å; R918-E957 PolarHBondContact NH2-OE2 3.15Å; I953-E957 HydrophobicContact CG2-CG 4.43Å; I953-E957 WeakPolarHBondContact O-CG 3.28Å; I953-E957 PolarHBondContact O-N 3.09Å; I953-E957 VanDerWaalsContact O-N 3.1Å; L954-E957 PolarHBondContact O-N 3.02Å; F955-E957 PolarHBondContact O-N 3.28Å |
| 958 | L | 87.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -93.2 | -17.7 | -174.2 | -68.2 | 178.1 | 0 | 0 | 0 | 114.6 | I917 D921 L924 I928 M940 L943 L954 F955 A960 A961 L962 | I917-L958 HydrophobicContact CG2-CD1 4.22Å; I917-L958 HydrophobicContact CG2-CD2 3.68Å; I917-L958 HydrophobicContact CG2-CG 3.77Å; D921-L958 HydrophobicContact CB-CD2 4.25Å; L924-L958 HydrophobicContact CB-CD2 4.14Å; L924-L958 HydrophobicContact CD1-CD2 4.29Å; I928-L958 HydrophobicContact CD1-CD1 4.01Å; M940-L958 HydrophobicContact CE-CB 4.47Å; M940-L958 HydrophobicContact CE-CD1 4.44Å; M940-L958 HydrophobicContact SD-CD1 4.4Å; L943-L958 HydrophobicContact CD1-CD1 4.44Å; L954-L958 HydrophobicContact CD1-CD1 3.62Å; L954-L958 HydrophobicContact CD1-CG 4.36Å; L954-L958 HydrophobicContact CG-CD1 4Å; L954-L958 WeakPolarHBondContact O-CB 3.44Å; L954-L958 PolarHBondContact O-N 3.24Å; F955-L958 PolarHBondContact O-N 3Å; L958-A960 VanDerWaalsContact C-N 3.31Å; L958-A960 PolarHBondContact O-N 3.31Å; L958-A961 PolarHBondContact O-N 3.24Å; L958-L962 HydrophobicContact CB-CD1 3.93Å; L958-L962 HydrophobicContact CB-CG 4.38Å; L958-L962 WeakPolarHBondContact O-CB 3.37Å; L958-L962 VanDerWaalsContact O-CG 3.32Å; L958-L962 WeakPolarHBondContact O-CG 3.3Å; L958-L962 PolarHBondContact O-N 3.24Å |
| 959 | I | 87.8 | Confident | 86.3 | Confident | 5.5 Ų | 5.5 | 37.3 Ų | 37.3 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59 | -41 | -170.6 | -145.8 | 149.2 | 0 | 0 | 0 | 112.8 | F955 F963 L981 V985 Y987 L1001 I1003 | F955-I959 HydrophobicContact CB-CD1 3.78Å; F955-I959 HydrophobicContact CB-CG1 4.21Å; F955-I959 HydrophobicContact CD1-CD1 4.19Å; F955-I959 HydrophobicContact CD1-CG1 3.88Å; F955-I959 HydrophobicContact CG-CD1 4.33Å; F955-I959 WeakPolarHBondContact O-CB 3.36Å; F955-I959 WeakPolarHBondContact O-CD1 3.32Å; F955-I959 WeakPolarHBondContact O-CG1 3.43Å; F955-I959 WeakPolarHBondContact O-CG2 3.42Å; F955-I959 PolarHBondContact O-N 3.4Å; I959-F963 VanDerWaalsContact O-CB 3.27Å; I959-F963 WeakPolarHBondContact O-CB 3.36Å; I959-F963 PolarHBondContact O-N 3Å; I959-L981 HydrophobicContact CD1-CD1 3.81Å; I959-L981 HydrophobicContact CD1-CD2 4.03Å; I959-L981 HydrophobicContact CD1-CG 3.59Å; I959-L981 HydrophobicContact CG1-CD2 3.93Å; I959-L981 HydrophobicContact CG2-CD2 4.42Å; I959-V985 HydrophobicContact CD1-CB 4.45Å; I959-V985 HydrophobicContact CD1-CG1 4.17Å; I959-V985 HydrophobicContact CD1-CG2 3.57Å; I959-V985 HydrophobicContact CG1-CG2 4.44Å; I959-Y987 HydrophobicContact CD1-CE1 3.97Å; I959-Y987 WeakPolarHBondContact CD1-OH 3.45Å; I959-L1001 HydrophobicContact CD1-CD1 3.87Å; I959-L1001 HydrophobicContact CD1-CD2 3.8Å; I959-L1001 HydrophobicContact CD1-CG 4.17Å; I959-L1001 HydrophobicContact CG1-CD1 4.09Å; I959-L1001 HydrophobicContact CG1-CD2 4.15Å; I959-I1003 HydrophobicContact CB-CD1 4.27Å; I959-I1003 HydrophobicContact CD1-CD1 3.92Å; I959-I1003 HydrophobicContact CG1-CD1 3.65Å; I959-I1003 HydrophobicContact CG1-CG2 4.23Å; I959-I1003 HydrophobicContact CG2-CD1 3.69Å; I959-I1003 HydrophobicContact CG2-CG1 4.01Å; I959-I1003 HydrophobicContact CG2-CG2 4.08Å |
| 960 | A | 87.1 | Confident | 86.1 | Confident | 14.25 Ų | 14.25 | 38.1 Ų | 38.1 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -48.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L958 L962 F963 I964 I1003 E1006 | L958-A960 VanDerWaalsContact C-N 3.31Å; L958-A960 PolarHBondContact O-N 3.31Å; A960-L962 PolarHBondContact O-N 3.22Å; A960-F963 PolarHBondContact O-N 3.02Å; A960-I964 WeakPolarHBondContact O-CB 3.31Å; A960-I964 WeakPolarHBondContact O-CD1 3.41Å; A960-I964 WeakPolarHBondContact O-CG1 3.41Å; A960-I964 PolarHBondContact O-N 3.2Å; A960-I1003 HydrophobicContact CB-CG1 4.4Å; A960-I1003 HydrophobicContact CB-CG2 4.23Å; A960-E1006 WeakPolarHBondContact CB-OE2 3.3Å |
| 961 | A | 87.6 | Confident | 86 | Confident | 1.25 Ų | 1.25 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | D921 A925 L958 I964 T965 | D921-A961 HydrophobicContact CB-CB 3.92Å; D921-A961 WeakPolarHBondContact O-CB 3.24Å; A925-A961 HydrophobicContact CB-CB 3.82Å; L958-A961 PolarHBondContact O-N 3.24Å; A961-I964 WeakPolarHBondContact O-CB 3.49Å; A961-I964 PolarHBondContact O-N 3.02Å; A961-T965 WeakPolarHBondContact O-CB 3.41Å; A961-T965 WeakPolarHBondContact O-CG2 3.44Å; A961-T965 PolarHBondContact O-N 3.18Å; A961-T965 PolarHBondContact O-OG1 3.04Å |
| 962 | L | 87.4 | Confident | 85.9 | Confident | 1.25 Ų | 1.25 | 41.3 Ų | 41.3 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 176.8 | -76 | 166.9 | 0 | 0 | 0 | 112.6 | A925 I928 V929 M940 L958 A960 I964 T965 L966 L981 | A925-L962 HydrophobicContact CB-CD2 3.88Å; A925-L962 HydrophobicContact CB-CG 4.06Å; I928-L962 HydrophobicContact CB-CD2 3.87Å; I928-L962 HydrophobicContact CD1-CD1 4.39Å; I928-L962 HydrophobicContact CD1-CD2 3.97Å; I928-L962 HydrophobicContact CD1-CG 4.49Å; I928-L962 HydrophobicContact CG2-CD2 3.76Å; V929-L962 HydrophobicContact CG2-CD2 4.29Å; M940-L962 HydrophobicContact CE-CD1 3.28Å; M940-L962 HydrophobicContact CE-CD2 4.45Å; M940-L962 HydrophobicContact SD-CD1 4.25Å; L958-L962 HydrophobicContact CB-CD1 3.93Å; L958-L962 HydrophobicContact CB-CG 4.38Å; L958-L962 WeakPolarHBondContact O-CB 3.37Å; L958-L962 VanDerWaalsContact O-CG 3.32Å; L958-L962 WeakPolarHBondContact O-CG 3.3Å; L958-L962 PolarHBondContact O-N 3.24Å; A960-L962 PolarHBondContact O-N 3.22Å; L962-I964 VanDerWaalsContact C-N 3.33Å; L962-I964 PolarHBondContact O-N 3.14Å; L962-T965 WeakPolarHBondContact CA-OG1 3.46Å; L962-T965 PolarHBondContact O-N 3.22Å; L962-T965 PolarHBondContact O-OG1 2.85Å; L962-L966 WeakPolarHBondContact O-CB 3.35Å; L962-L966 VanDerWaalsContact O-CG 3.28Å; L962-L966 WeakPolarHBondContact O-CG 3.31Å; L962-L966 PolarHBondContact O-N 3.25Å; L962-L966 VanDerWaalsContact O-N 3.07Å; L962-L981 HydrophobicContact CB-CD1 3.64Å; L962-L981 VanDerWaalsContact CB-CD1 3.48Å; L962-L981 HydrophobicContact CB-CD2 3.94Å; L962-L981 HydrophobicContact CD1-CD1 3.87Å; L962-L981 HydrophobicContact CG-CD1 4.26Å |
| 963 | F | 88.6 | Confident | 85.9 | Confident | 1.75 Ų | 1.75 | 39 Ų | 39 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 176.8 | -173.2 | -84.5 | 0 | 0 | 0 | 110.7 | I959 A960 T965 L966 V967 I978 L981 I982 I1003 L1004 T1007 L1027 | I959-F963 VanDerWaalsContact O-CB 3.27Å; I959-F963 WeakPolarHBondContact O-CB 3.36Å; I959-F963 PolarHBondContact O-N 3Å; A960-F963 PolarHBondContact O-N 3.02Å; F963-T965 PolarHBondContact O-N 2.96Å; F963-L966 PolarHBondContact O-N 3.16Å; F963-V967 HydrophobicContact CD1-CG2 3.86Å; F963-V967 HydrophobicContact CE1-CG2 3.62Å; F963-V967 HydrophobicContact CZ-CG2 4.21Å; F963-V967 WeakPolarHBondContact O-CB 3.5Å; F963-V967 VanDerWaalsContact O-CG2 3.27Å; F963-V967 WeakPolarHBondContact O-CG2 3.38Å; F963-V967 PolarHBondContact O-N 3.25Å; F963-I978 HydrophobicContact CD2-CG2 3.81Å; F963-I978 HydrophobicContact CE2-CG2 3.48Å; F963-I978 VanDerWaalsContact CE2-CG2 3.47Å; F963-I978 HydrophobicContact CZ-CG2 4.4Å; F963-L981 HydrophobicContact CB-CD2 4.32Å; F963-I982 HydrophobicContact CE2-CD1 4.39Å; F963-I1003 HydrophobicContact CB-CD1 4.32Å; F963-I1003 HydrophobicContact CB-CG2 3.61Å; F963-I1003 HydrophobicContact CD1-CD1 4.08Å; F963-I1003 HydrophobicContact CD1-CG1 4.36Å; F963-I1003 HydrophobicContact CD1-CG2 3.61Å; F963-I1003 HydrophobicContact CD2-CD1 3.77Å; F963-I1003 HydrophobicContact CD2-CG1 4.44Å; F963-I1003 HydrophobicContact CD2-CG2 4.4Å; F963-I1003 HydrophobicContact CE1-CD1 4.36Å; F963-I1003 HydrophobicContact CE1-CG2 4.36Å; F963-I1003 HydrophobicContact CE2-CD1 3.71Å; F963-I1003 HydrophobicContact CG-CD1 4.01Å; F963-I1003 HydrophobicContact CG-CG1 4.3Å; F963-I1003 HydrophobicContact CG-CG2 3.62Å; F963-I1003 HydrophobicContact CZ-CD1 4.2Å; F963-L1004 HydrophobicContact CE1-CD2 4.29Å; F963-L1004 HydrophobicContact CZ-CD2 4.2Å; F963-T1007 HydrophobicContact CD1-CG2 3.9Å; F963-T1007 VanDerWaalsContact CD1-OG1 3.28Å; F963-T1007 WeakPolarHBondContact CD1-OG1 3.44Å; F963-T1007 HydrophobicContact CE1-CG2 3.93Å; F963-T1007 HydrophobicContact CG-CG2 4.37Å; F963-L1027 HydrophobicContact CE1-CD1 4.3Å |
| 964 | I | 87.9 | Confident | 85.9 | Confident | 6.75 Ų | 6.75 | 35.8 Ų | 35.8 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.8 | -50.3 | 176.4 | -71.7 | 167.7 | 0 | 0 | 0 | 110.9 | A960 A961 L962 L966 V967 I968 E1006 T1007 Y1010 | A960-I964 WeakPolarHBondContact O-CB 3.31Å; A960-I964 WeakPolarHBondContact O-CD1 3.41Å; A960-I964 WeakPolarHBondContact O-CG1 3.41Å; A960-I964 PolarHBondContact O-N 3.2Å; A961-I964 WeakPolarHBondContact O-CB 3.49Å; A961-I964 PolarHBondContact O-N 3.02Å; L962-I964 VanDerWaalsContact C-N 3.33Å; L962-I964 PolarHBondContact O-N 3.14Å; I964-L966 VanDerWaalsContact C-N 3.33Å; I964-L966 PolarHBondContact O-N 2.98Å; I964-V967 PolarHBondContact O-N 3.16Å; I964-I968 HydrophobicContact CG2-CD1 3.6Å; I964-I968 HydrophobicContact CG2-CG1 4.44Å; I964-I968 WeakPolarHBondContact O-CD1 3.23Å; I964-I968 VanDerWaalsContact O-CG1 3.25Å; I964-I968 WeakPolarHBondContact O-CG1 3.25Å; I964-I968 PolarHBondContact O-N 3.23Å; I964-E1006 HydrophobicContact CD1-CB 4.4Å; I964-T1007 HydrophobicContact CD1-CG2 4.43Å; I964-T1007 HydrophobicContact CG1-CG2 4Å; I964-T1007 VanDerWaalsContact CG1-CG2 3.48Å; I964-Y1010 HydrophobicContact CD1-CD2 4.27Å; I964-Y1010 HydrophobicContact CD1-CG 4.4Å; I964-Y1010 HydrophobicContact CG2-CD1 3.65Å; I964-Y1010 HydrophobicContact CG2-CD2 3.63Å; I964-Y1010 HydrophobicContact CG2-CE1 3.98Å; I964-Y1010 HydrophobicContact CG2-CE2 3.88Å; I964-Y1010 HydrophobicContact CG2-CG 3.49Å; I964-Y1010 VanDerWaalsContact CG2-CG 3.46Å |
| 965 | T | 86.6 | Confident | 85.9 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | -179 | -39 | 0 | 0 | 0 | 0 | 112.1 | A925 Q926 V929 A961 L962 F963 I968 R969 | A925-T965 HydrophobicContact CB-CG2 3.76Å; Q926-T965 HydrophobicContact CG-CG2 3.96Å; V929-T965 HydrophobicContact CB-CG2 4.12Å; V929-T965 HydrophobicContact CG1-CG2 4.34Å; V929-T965 HydrophobicContact CG2-CG2 3.91Å; V929-T965 WeakPolarHBondContact CG2-OG1 3.32Å; A961-T965 WeakPolarHBondContact O-CB 3.41Å; A961-T965 WeakPolarHBondContact O-CG2 3.44Å; A961-T965 PolarHBondContact O-N 3.18Å; A961-T965 PolarHBondContact O-OG1 3.04Å; L962-T965 WeakPolarHBondContact CA-OG1 3.46Å; L962-T965 PolarHBondContact O-N 3.22Å; L962-T965 PolarHBondContact O-OG1 2.85Å; F963-T965 PolarHBondContact O-N 2.96Å; T965-I968 PolarHBondContact O-N 3.08Å; T965-R969 PolarHBondContact O-N 3.14Å; T965-R969 VanDerWaalsContact O-N 3.09Å |
| 966 | L | 86.6 | Confident | 85.9 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 176.4 | -72.2 | 171.7 | 0 | 0 | 0 | 113 | V929 M932 L962 F963 I964 R969 G970 S974 R977 I978 L981 | V929-L966 HydrophobicContact CB-CD2 4.48Å; V929-L966 HydrophobicContact CG1-CD2 4.01Å; V929-L966 HydrophobicContact CG2-CD2 3.78Å; V929-L966 HydrophobicContact CG2-CG 3.94Å; M932-L966 HydrophobicContact CE-CD1 4.29Å; M932-L966 HydrophobicContact CE-CD2 3.94Å; M932-L966 HydrophobicContact SD-CD2 4.36Å; L962-L966 WeakPolarHBondContact O-CB 3.35Å; L962-L966 VanDerWaalsContact O-CG 3.28Å; L962-L966 WeakPolarHBondContact O-CG 3.31Å; L962-L966 PolarHBondContact O-N 3.25Å; L962-L966 VanDerWaalsContact O-N 3.07Å; F963-L966 PolarHBondContact O-N 3.16Å; I964-L966 VanDerWaalsContact C-N 3.33Å; I964-L966 PolarHBondContact O-N 2.98Å; L966-R969 PolarHBondContact O-N 3.14Å; L966-G970 PolarHBondContact O-N 3.32Å; L966-S974 VanDerWaalsContact O-CB 3.26Å; L966-S974 WeakPolarHBondContact O-CB 3.37Å; L966-S974 PolarHBondContact O-OG 3.26Å; L966-S974 VanDerWaalsContact O-OG 3.06Å; L966-R977 HydrophobicContact CD1-CB 4.14Å; L966-R977 HydrophobicContact CD2-CB 3.95Å; L966-I978 HydrophobicContact CB-CD1 4.01Å; L966-I978 HydrophobicContact CB-CG1 3.66Å; L966-I978 HydrophobicContact CD1-CG1 3.78Å; L966-I978 HydrophobicContact CG-CG1 4.35Å; L966-L981 HydrophobicContact CD1-CD1 4.34Å; L966-L981 HydrophobicContact CD1-CD2 4.24Å |
| 967 | V | 87 | Confident | 85.9 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 175 | 168.6 | 0 | 0 | 0 | 0 | 111 | F963 I964 R969 G970 I978 T1007 I1011 F1026 L1027 | F963-V967 HydrophobicContact CD1-CG2 3.86Å; F963-V967 HydrophobicContact CE1-CG2 3.62Å; F963-V967 HydrophobicContact CZ-CG2 4.21Å; F963-V967 WeakPolarHBondContact O-CB 3.5Å; F963-V967 VanDerWaalsContact O-CG2 3.27Å; F963-V967 WeakPolarHBondContact O-CG2 3.38Å; F963-V967 PolarHBondContact O-N 3.25Å; I964-V967 PolarHBondContact O-N 3.16Å; V967-R969 VanDerWaalsContact C-N 3.32Å; V967-R969 PolarHBondContact O-N 2.93Å; V967-G970 PolarHBondContact O-N 3.16Å; V967-I978 HydrophobicContact CG2-CD1 4.03Å; V967-T1007 HydrophobicContact CB-CG2 4.39Å; V967-T1007 HydrophobicContact CG1-CG2 4.2Å; V967-T1007 HydrophobicContact CG2-CG2 4.32Å; V967-I1011 HydrophobicContact CG1-CD1 4.15Å; V967-F1026 HydrophobicContact CB-CD1 4.44Å; V967-F1026 HydrophobicContact CB-CE1 4.43Å; V967-F1026 HydrophobicContact CG1-CD1 4.16Å; V967-F1026 HydrophobicContact CG2-CD1 4.43Å; V967-F1026 HydrophobicContact CG2-CE1 4.16Å; V967-L1027 HydrophobicContact CG1-CD1 4.42Å; V967-L1027 HydrophobicContact CG2-CD1 4.32Å |
| 968 | I | 85.7 | Confident | 85.9 | Confident | 51.5 Ų | 51.5 | 36.7 Ų | 36.7 | 26% | 0.264 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 176.7 | -64.4 | 158.8 | 0 | 0 | 0 | 110.9 | I964 T965 G970 Y1010 H1023 | I964-I968 HydrophobicContact CG2-CD1 3.6Å; I964-I968 HydrophobicContact CG2-CG1 4.44Å; I964-I968 WeakPolarHBondContact O-CD1 3.23Å; I964-I968 VanDerWaalsContact O-CG1 3.25Å; I964-I968 WeakPolarHBondContact O-CG1 3.25Å; I964-I968 PolarHBondContact O-N 3.23Å; T965-I968 PolarHBondContact O-N 3.08Å; I968-G970 PolarHBondContact O-N 2.91Å; I968-Y1010 HydrophobicContact CD1-CD1 3.74Å; I968-Y1010 HydrophobicContact CD1-CE1 3.15Å; I968-Y1010 HydrophobicContact CG1-CD1 4.44Å; I968-Y1010 HydrophobicContact CG1-CE1 4.16Å; I968-H1023 PolarHBondContact O-CE1 3.13Å; I968-H1023 PolarHBondContact O-ND1 3.08Å |
| 969 | R | 84.9 | Confident | 85.8 | Confident | 105.75 Ų | 105.75 | 43.2 Ų | 43.2 | 40% | 0.399 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -28.1 | 177 | -172 | 171 | 175 | 176.2 | -4.9 | 112.8 | V929 T965 L966 V967 N971 E973 | V929-R969 PolarHBondContact O-NH1 3.18Å; V929-R969 VanDerWaalsContact O-NH1 3.13Å; T965-R969 PolarHBondContact O-N 3.14Å; T965-R969 VanDerWaalsContact O-N 3.09Å; L966-R969 PolarHBondContact O-N 3.14Å; V967-R969 VanDerWaalsContact C-N 3.32Å; V967-R969 PolarHBondContact O-N 2.93Å; R969-N971 PolarHBondContact O-N 3.04Å; R969-N971 PolarHBondContact O-OD1 3.1Å; R969-N971 VanDerWaalsContact O-OD1 3.13Å; R969-E973 IonicContact CZ-OE2 3.58Å; R969-E973 IonicContact NH2-OE2 3.5Å; R969-E973 PolarHBondContact NH2-OE2 3.2Å |
| 970 | G | 82.8 | Confident | 85.6 | Confident | 28.75 Ų | 28.75 | 46.8 Ų | 46.8 | 30% | 0.296 | 23% | 0.225 | S | C | . | . | trans | 61.4 | 11.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118 | L966 V967 I968 F1026 | L966-G970 PolarHBondContact O-N 3.32Å; V967-G970 PolarHBondContact O-N 3.16Å; I968-G970 PolarHBondContact O-N 2.91Å; G970-F1026 WeakPolarHBondContact O-CD2 3.41Å | ||
| 971 | N | 84.6 | Confident | 85.5 | Confident | 86 Ų | 86 | 46.2 Ų | 46.2 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | trans | -90.6 | 162.9 | -174.5 | -70.3 | -13.3 | 0 | 0 | 0 | 112.8 | R969 E973 S974 | R969-N971 PolarHBondContact O-N 3.04Å; R969-N971 PolarHBondContact O-OD1 3.1Å; R969-N971 VanDerWaalsContact O-OD1 3.13Å; N971-E973 PolarHBondContact O-N 3.25Å; N971-E973 VanDerWaalsContact O-N 3.16Å; N971-S974 PolarHBondContact N-OG 3.2Å; N971-S974 WeakPolarHBondContact O-CA 3.28Å; N971-S974 WeakPolarHBondContact O-CB 3.06Å; N971-S974 PolarHBondContact O-N 3.25Å; N971-S974 PolarHBondContact O-OG 3.39Å | ||
| 972 | Q | 82.6 | Confident | 85.4 | Confident | 171.25 Ų | 171.25 | 46.3 Ų | 46.3 | 80% | 0.8 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -55.9 | -36.3 | 173.9 | -72.4 | -150.6 | -16.1 | 0 | 0 | 112.6 | S974 H975 | Q972-S974 VanDerWaalsContact C-N 3.31Å; Q972-S974 PolarHBondContact O-N 3.25Å; Q972-H975 PolarHBondContact O-N 3.24Å |
| 973 | E | 83.4 | Confident | 85.2 | Confident | 81.5 Ų | 81.5 | 50.1 Ų | 50.1 | 38% | 0.381 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -36.9 | 174.5 | -146.2 | -172.3 | 169.1 | 0 | 0 | 112.3 | R969 N971 H975 L976 R977 | R969-E973 IonicContact CZ-OE2 3.58Å; R969-E973 IonicContact NH2-OE2 3.5Å; R969-E973 PolarHBondContact NH2-OE2 3.2Å; N971-E973 PolarHBondContact O-N 3.25Å; N971-E973 VanDerWaalsContact O-N 3.16Å; E973-H975 VanDerWaalsContact C-N 3.25Å; E973-H975 PolarHBondContact O-N 3.08Å; E973-L976 WeakPolarHBondContact O-CB 3.38Å; E973-L976 PolarHBondContact O-N 3.14Å; E973-R977 HydrophobicContact CG-CG 4.13Å; E973-R977 WeakPolarHBondContact O-CG 3.3Å; E973-R977 PolarHBondContact O-N 3.12Å; E973-R977 IonicContact OE1-CZ 3.07Å; E973-R977 VanDerWaalsContact OE1-CZ 3.31Å; E973-R977 IonicContact OE1-NE 3.58Å; E973-R977 PolarHBondContact OE1-NE 3.07Å; E973-R977 IonicContact OE1-NH2 3.18Å; E973-R977 PolarHBondContact OE1-NH2 2.88Å |
| 974 | S | 85.6 | Confident | 84.8 | Confident | 2.5 Ų | 2.5 | 53.2 Ų | 53.2 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -32.1 | -179.7 | 2.3 | 0 | 0 | 0 | 0 | 112 | L966 N971 Q972 L976 R977 I978 F1026 | L966-S974 VanDerWaalsContact O-CB 3.26Å; L966-S974 WeakPolarHBondContact O-CB 3.37Å; L966-S974 PolarHBondContact O-OG 3.26Å; L966-S974 VanDerWaalsContact O-OG 3.06Å; N971-S974 PolarHBondContact N-OG 3.2Å; N971-S974 WeakPolarHBondContact O-CA 3.28Å; N971-S974 WeakPolarHBondContact O-CB 3.06Å; N971-S974 PolarHBondContact O-N 3.25Å; N971-S974 PolarHBondContact O-OG 3.39Å; Q972-S974 VanDerWaalsContact C-N 3.31Å; Q972-S974 PolarHBondContact O-N 3.25Å; S974-L976 VanDerWaalsContact C-N 3.33Å; S974-L976 PolarHBondContact O-N 3.26Å; S974-R977 PolarHBondContact O-N 3.15Å; S974-I978 WeakPolarHBondContact O-CB 3.39Å; S974-I978 WeakPolarHBondContact O-CD1 3.43Å; S974-I978 WeakPolarHBondContact O-CG1 3.37Å; S974-I978 PolarHBondContact O-N 3.18Å; S974-F1026 VanDerWaalsContact OG-CE2 3.25Å; S974-F1026 WeakPolarHBondContact OG-CE2 3.36Å; S974-F1026 WeakPolarHBondContact OG-CZ 3.34Å |
| 975 | H | 86.3 | Confident | 84.6 | Confident | 42.5 Ų | 42.5 | 53.2 Ų | 53.2 | 20% | 0.197 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 172.4 | -70.5 | -82.7 | 0 | 0 | 0 | 112.3 | Q972 E973 R979 F1026 H1030 | Q972-H975 PolarHBondContact O-N 3.24Å; E973-H975 VanDerWaalsContact C-N 3.25Å; E973-H975 PolarHBondContact O-N 3.08Å; H975-R979 WeakPolarHBondContact O-CG 3.37Å; H975-R979 PolarHBondContact O-N 3.18Å; H975-F1026 AromaticContact CD2-CE2 3.48Å; H975-F1026 WeakPolarHBondContact CD2-CE2 3.33Å; H975-F1026 AromaticContact CD2-CZ 3.88Å; H975-F1026 AromaticContact CE1-CD2 3.77Å; H975-F1026 AromaticContact CE1-CE2 3.55Å; H975-F1026 WeakPolarHBondContact CE1-CE2 3.43Å; H975-F1026 AromaticContact CE1-CZ 3.81Å; H975-F1026 VanDerWaalsContact CE1-CZ 3.47Å; H975-F1026 WeakPolarHBondContact CE1-CZ 3.41Å; H975-F1026 AromaticContact CG-CE2 3.93Å; H975-F1026 AromaticContact CG-CZ 3.93Å; H975-F1026 AromaticContact ND1-CE2 3.44Å; H975-F1026 WeakPolarHBondContact ND1-CE2 3.48Å; H975-F1026 AromaticContact ND1-CZ 3.33Å; H975-F1026 VanDerWaalsContact ND1-CZ 3.33Å; H975-F1026 WeakPolarHBondContact ND1-CZ 2.97Å; H975-F1026 AromaticContact NE2-CD2 3.61Å; H975-F1026 AromaticContact NE2-CE2 3.19Å; H975-F1026 WeakPolarHBondContact NE2-CE2 3.41Å; H975-F1026 AromaticContact NE2-CZ 3.83Å; H975-H1030 AromaticContact CE1-ND1 3.87Å; H975-H1030 AromaticContact CG-ND1 3.62Å; H975-H1030 WeakPolarHBondContact ND1-CB 3.34Å; H975-H1030 AromaticContact ND1-CE1 4Å; H975-H1030 AromaticContact ND1-CG 3.56Å; H975-H1030 AromaticContact ND1-ND1 2.93Å; H975-H1030 PolarHBondContact ND1-ND1 3.11Å; H975-H1030 PolarHBondContact O-CE1 3.13Å |
| 976 | L | 85.3 | Confident | 84.1 | Confident | 104.5 Ų | 104.5 | 55 Ų | 55 | 55% | 0.547 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | 178.9 | -64 | 177.2 | 0 | 0 | 0 | 110.9 | E973 S974 I978 R979 Q980 | E973-L976 WeakPolarHBondContact O-CB 3.38Å; E973-L976 PolarHBondContact O-N 3.14Å; S974-L976 VanDerWaalsContact C-N 3.33Å; S974-L976 PolarHBondContact O-N 3.26Å; L976-I978 PolarHBondContact O-N 3.13Å; L976-R979 PolarHBondContact O-N 3.28Å; L976-Q980 WeakPolarHBondContact O-CG 3.41Å; L976-Q980 PolarHBondContact O-N 3.07Å |
| 977 | R | 83.1 | Confident | 83.8 | Confident | 44.5 Ų | 44.5 | 59.1 Ų | 59.1 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.8 | -37.8 | -180 | -61.9 | -41.9 | -173.2 | 139.5 | 8.7 | 113 | M932 L966 E973 S974 R979 Q980 L981 | M932-R977 HydrophobicContact CE-CB 3.7Å; M932-R977 VanDerWaalsContact CE-CD 3.45Å; M932-R977 HydrophobicContact CE-CG 3.85Å; M932-R977 PolarHBondContact O-NH1 3.39Å; M932-R977 PolarHBondContact O-NH2 3.02Å; M932-R977 HydrophobicContact SD-CB 4.13Å; M932-R977 HydrophobicContact SD-CG 4.15Å; L966-R977 HydrophobicContact CD1-CB 4.14Å; L966-R977 HydrophobicContact CD2-CB 3.95Å; E973-R977 HydrophobicContact CG-CG 4.13Å; E973-R977 WeakPolarHBondContact O-CG 3.3Å; E973-R977 PolarHBondContact O-N 3.12Å; E973-R977 IonicContact OE1-CZ 3.07Å; E973-R977 VanDerWaalsContact OE1-CZ 3.31Å; E973-R977 IonicContact OE1-NE 3.58Å; E973-R977 PolarHBondContact OE1-NE 3.07Å; E973-R977 IonicContact OE1-NH2 3.18Å; E973-R977 PolarHBondContact OE1-NH2 2.88Å; S974-R977 PolarHBondContact O-N 3.15Å; R977-R979 VanDerWaalsContact C-N 3.33Å; R977-R979 PolarHBondContact O-N 3.04Å; R977-Q980 VanDerWaalsContact CD-OE1 3.27Å; R977-Q980 VanDerWaalsContact NH1-OE1 3.13Å; R977-Q980 WeakPolarHBondContact O-CB 3.3Å; R977-Q980 PolarHBondContact O-N 3.29Å; R977-L981 WeakPolarHBondContact O-CB 3.41Å; R977-L981 PolarHBondContact O-N 3.08Å |
| 978 | I | 85.9 | Confident | 83.4 | Confident | 0.25 Ų | 0.25 | 60 Ų | 60 | 0% | 0.001 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.2 | -69 | 166 | 0 | 0 | 0 | 110.5 | F963 L966 V967 S974 L976 Q980 L981 I982 Y994 F1026 H1030 | F963-I978 HydrophobicContact CD2-CG2 3.81Å; F963-I978 HydrophobicContact CE2-CG2 3.48Å; F963-I978 VanDerWaalsContact CE2-CG2 3.47Å; F963-I978 HydrophobicContact CZ-CG2 4.4Å; L966-I978 HydrophobicContact CB-CD1 4.01Å; L966-I978 HydrophobicContact CB-CG1 3.66Å; L966-I978 HydrophobicContact CD1-CG1 3.78Å; L966-I978 HydrophobicContact CG-CG1 4.35Å; V967-I978 HydrophobicContact CG2-CD1 4.03Å; S974-I978 WeakPolarHBondContact O-CB 3.39Å; S974-I978 WeakPolarHBondContact O-CD1 3.43Å; S974-I978 WeakPolarHBondContact O-CG1 3.37Å; S974-I978 PolarHBondContact O-N 3.18Å; L976-I978 PolarHBondContact O-N 3.13Å; I978-Q980 VanDerWaalsContact C-N 3.34Å; I978-Q980 PolarHBondContact O-N 3.31Å; I978-L981 WeakPolarHBondContact O-CB 3.49Å; I978-L981 PolarHBondContact O-N 3.14Å; I978-I982 HydrophobicContact CG2-CD1 3.79Å; I978-I982 WeakPolarHBondContact O-CD1 3.37Å; I978-I982 WeakPolarHBondContact O-CG1 3.35Å; I978-I982 PolarHBondContact O-N 3.32Å; I978-Y994 WeakPolarHBondContact CG2-OH 3.32Å; I978-F1026 HydrophobicContact CD1-CE1 3.9Å; I978-F1026 HydrophobicContact CD1-CZ 4.13Å; I978-H1030 VanDerWaalsContact CG2-NE2 3.34Å; I978-H1030 WeakPolarHBondContact CG2-NE2 3.34Å |
| 979 | R | 85.2 | Confident | 83 | Confident | 136.5 Ų | 136.5 | 62.5 Ų | 62.5 | 52% | 0.515 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.6 | -72.4 | 179.4 | -177.9 | 172.5 | 2.8 | 112 | H975 L976 R977 I982 S983 Y994 | H975-R979 WeakPolarHBondContact O-CG 3.37Å; H975-R979 PolarHBondContact O-N 3.18Å; L976-R979 PolarHBondContact O-N 3.28Å; R977-R979 VanDerWaalsContact C-N 3.33Å; R977-R979 PolarHBondContact O-N 3.04Å; R979-I982 PolarHBondContact O-N 3.27Å; R979-S983 PolarHBondContact O-N 3.19Å; R979-S983 PolarHBondContact O-OG 3.2Å; R979-Y994 HydrophobicContact CB-CE2 4.49Å; R979-Y994 HydrophobicContact CG-CE2 3.99Å |
| 980 | Q | 84 | Confident | 82.4 | Confident | 82.25 Ų | 82.25 | 62.6 Ų | 62.6 | 38% | 0.384 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.7 | -72.2 | 175.4 | -9.4 | 0 | 0 | 111.9 | L976 R977 I978 I982 S983 E984 | L976-Q980 WeakPolarHBondContact O-CG 3.41Å; L976-Q980 PolarHBondContact O-N 3.07Å; R977-Q980 VanDerWaalsContact CD-OE1 3.27Å; R977-Q980 VanDerWaalsContact NH1-OE1 3.13Å; R977-Q980 WeakPolarHBondContact O-CB 3.3Å; R977-Q980 PolarHBondContact O-N 3.29Å; I978-Q980 VanDerWaalsContact C-N 3.34Å; I978-Q980 PolarHBondContact O-N 3.31Å; Q980-I982 VanDerWaalsContact C-N 3.33Å; Q980-I982 PolarHBondContact O-N 3.01Å; Q980-S983 WeakPolarHBondContact CA-OG 3.3Å; Q980-S983 PolarHBondContact O-N 3.14Å; Q980-S983 PolarHBondContact O-OG 3.05Å; Q980-E984 WeakPolarHBondContact O-CB 3.38Å; Q980-E984 VanDerWaalsContact O-CG 3.28Å; Q980-E984 WeakPolarHBondContact O-CG 3.15Å; Q980-E984 PolarHBondContact O-N 3.12Å; Q980-E984 VanDerWaalsContact O-N 3.12Å |
| 981 | L | 84.9 | Confident | 82 | Confident | 1.25 Ų | 1.25 | 70 Ų | 70 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 178.3 | 177.4 | 128.6 | 0 | 0 | 0 | 111.9 | L936 F955 I959 L962 F963 L966 R977 I978 E984 V985 | L936-L981 HydrophobicContact CD1-CB 4.39Å; L936-L981 HydrophobicContact CD1-CD1 4.21Å; L936-L981 VanDerWaalsContact CD2-CA 3.46Å; L936-L981 HydrophobicContact CD2-CB 3.82Å; L936-L981 HydrophobicContact CD2-CD1 4.16Å; L936-L981 HydrophobicContact CD2-CG 4.26Å; F955-L981 HydrophobicContact CE1-CD1 4.39Å; I959-L981 HydrophobicContact CD1-CD1 3.81Å; I959-L981 HydrophobicContact CD1-CD2 4.03Å; I959-L981 HydrophobicContact CD1-CG 3.59Å; I959-L981 HydrophobicContact CG1-CD2 3.93Å; I959-L981 HydrophobicContact CG2-CD2 4.42Å; L962-L981 HydrophobicContact CB-CD1 3.64Å; L962-L981 VanDerWaalsContact CB-CD1 3.48Å; L962-L981 HydrophobicContact CB-CD2 3.94Å; L962-L981 HydrophobicContact CD1-CD1 3.87Å; L962-L981 HydrophobicContact CG-CD1 4.26Å; F963-L981 HydrophobicContact CB-CD2 4.32Å; L966-L981 HydrophobicContact CD1-CD1 4.34Å; L966-L981 HydrophobicContact CD1-CD2 4.24Å; R977-L981 WeakPolarHBondContact O-CB 3.41Å; R977-L981 PolarHBondContact O-N 3.08Å; I978-L981 WeakPolarHBondContact O-CB 3.49Å; I978-L981 PolarHBondContact O-N 3.14Å; L981-E984 PolarHBondContact O-N 2.89Å; L981-V985 VanDerWaalsContact O-CG2 3.28Å; L981-V985 WeakPolarHBondContact O-CG2 3.33Å |
| 982 | I | 84.7 | Confident | 81.6 | Confident | 3.5 Ų | 3.5 | 68.7 Ų | 68.7 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.9 | -34.1 | 179.8 | -67.5 | 159.1 | 0 | 0 | 0 | 111.7 | F963 I978 R979 Q980 E984 L988 Y994 K997 I998 L1001 | F963-I982 HydrophobicContact CE2-CD1 4.39Å; I978-I982 HydrophobicContact CG2-CD1 3.79Å; I978-I982 WeakPolarHBondContact O-CD1 3.37Å; I978-I982 WeakPolarHBondContact O-CG1 3.35Å; I978-I982 PolarHBondContact O-N 3.32Å; R979-I982 PolarHBondContact O-N 3.27Å; Q980-I982 VanDerWaalsContact C-N 3.33Å; Q980-I982 PolarHBondContact O-N 3.01Å; I982-E984 VanDerWaalsContact C-N 3.3Å; I982-E984 PolarHBondContact O-N 3.09Å; I982-L988 HydrophobicContact CG2-CD1 4.39Å; I982-Y994 HydrophobicContact CB-CE2 4.08Å; I982-Y994 HydrophobicContact CD1-CD2 4.49Å; I982-Y994 HydrophobicContact CD1-CE2 3.49Å; I982-Y994 VanDerWaalsContact CD1-CE2 3.48Å; I982-Y994 VanDerWaalsContact CD1-OH 3.28Å; I982-Y994 WeakPolarHBondContact CD1-OH 3.37Å; I982-Y994 HydrophobicContact CG1-CE2 4.41Å; I982-Y994 HydrophobicContact CG2-CD2 4.24Å; I982-Y994 HydrophobicContact CG2-CE2 4.03Å; I982-K997 HydrophobicContact CG2-CB 3.88Å; I982-K997 HydrophobicContact CG2-CD 4.13Å; I982-I998 HydrophobicContact CD1-CD1 3.69Å; I982-I998 HydrophobicContact CD1-CG1 3.5Å; I982-I998 VanDerWaalsContact CD1-CG1 3.49Å; I982-I998 HydrophobicContact CG1-CG1 4.44Å; I982-L1001 HydrophobicContact CG1-CD1 4.17Å |
| 983 | S | 82.6 | Confident | 81.6 | Confident | 80.5 Ų | 80.5 | 66.9 Ų | 66.9 | 56% | 0.563 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.1 | -27.9 | 176.3 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | R979 Q980 V985 | R979-S983 PolarHBondContact O-N 3.19Å; R979-S983 PolarHBondContact O-OG 3.2Å; Q980-S983 WeakPolarHBondContact CA-OG 3.3Å; Q980-S983 PolarHBondContact O-N 3.14Å; Q980-S983 PolarHBondContact O-OG 3.05Å; S983-V985 VanDerWaalsContact C-N 3.35Å |
| 984 | E | 81.3 | Confident | 81.6 | Confident | 68 Ų | 68 | 66.1 Ų | 66.1 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.5 | -177.8 | -73.2 | -62.7 | 147 | 0 | 0 | 114.4 | L936 C937 K951 F955 Q980 L981 I982 P986 | L936-E984 HydrophobicContact CD2-CB 4.33Å; C937-E984 PolarHBondContact SG-OE1 3.23Å; C937-E984 VanDerWaalsContact SG-OE1 3.33Å; C937-E984 PolarHBondContact SG-OE2 3.27Å; K951-E984 IonicContact NZ-OE2 3.49Å; K951-E984 PolarHBondContact NZ-OE2 3.31Å; F955-E984 HydrophobicContact CE1-CB 4.2Å; F955-E984 HydrophobicContact CZ-CB 4.11Å; Q980-E984 WeakPolarHBondContact O-CB 3.38Å; Q980-E984 VanDerWaalsContact O-CG 3.28Å; Q980-E984 WeakPolarHBondContact O-CG 3.15Å; Q980-E984 PolarHBondContact O-N 3.12Å; Q980-E984 VanDerWaalsContact O-N 3.12Å; L981-E984 PolarHBondContact O-N 2.89Å; I982-E984 VanDerWaalsContact C-N 3.3Å; I982-E984 PolarHBondContact O-N 3.09Å; E984-P986 VanDerWaalsContact O-CD 3.31Å; E984-P986 WeakPolarHBondContact O-CD 3.38Å |
| 985 | V | 82.8 | Confident | 81.3 | Confident | 6.75 Ų | 6.75 | 69.4 Ų | 69.4 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | trans | -70 | 118.5 | -177.7 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | F955 I959 L981 S983 Y987 L988 L1001 | F955-V985 HydrophobicContact CD1-CG2 4.22Å; F955-V985 HydrophobicContact CE1-CG2 4.46Å; I959-V985 HydrophobicContact CD1-CB 4.45Å; I959-V985 HydrophobicContact CD1-CG1 4.17Å; I959-V985 HydrophobicContact CD1-CG2 3.57Å; I959-V985 HydrophobicContact CG1-CG2 4.44Å; L981-V985 VanDerWaalsContact O-CG2 3.28Å; L981-V985 WeakPolarHBondContact O-CG2 3.33Å; S983-V985 VanDerWaalsContact C-N 3.35Å; V985-Y987 VanDerWaalsContact C-N 3.29Å; V985-Y987 HydrophobicContact CG1-CD1 3.74Å; V985-Y987 HydrophobicContact CG1-CD2 3.94Å; V985-Y987 HydrophobicContact CG1-CE1 3.4Å; V985-Y987 VanDerWaalsContact CG1-CE1 3.41Å; V985-Y987 HydrophobicContact CG1-CE2 3.63Å; V985-Y987 HydrophobicContact CG1-CG 3.99Å; V985-Y987 VanDerWaalsContact CG1-CZ 3.44Å; V985-Y987 PolarHBondContact O-N 3.19Å; V985-L988 HydrophobicContact CB-CD1 3.78Å; V985-L988 HydrophobicContact CB-CG 4.05Å; V985-L988 HydrophobicContact CG1-CD1 4.01Å; V985-L988 HydrophobicContact CG1-CG 3.87Å; V985-L988 HydrophobicContact CG2-CD1 4.15Å; V985-L988 PolarHBondContact O-N 3.23Å; V985-L1001 HydrophobicContact CG1-CD2 4.1Å; V985-L1001 HydrophobicContact CG2-CD1 4.41Å; V985-L1001 HydrophobicContact CG2-CD2 4.47Å | ||
| 986 | P | 76.6 | Confident | 81 | Confident | 52.75 Ų | 52.75 | 68.9 Ų | 68.9 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -9.8 | -168.7 | 28.8 | -36.6 | 0 | 0 | 0 | 115.4 | K952 E984 | K952-P986 HydrophobicContact CB-CG 4.3Å; K952-P986 HydrophobicContact CG-CB 4.06Å; K952-P986 HydrophobicContact CG-CG 3.72Å; E984-P986 VanDerWaalsContact O-CD 3.31Å; E984-P986 WeakPolarHBondContact O-CD 3.38Å |
| 987 | Y | 79.7 | Confident | 80.9 | Confident | 88.75 Ų | 88.75 | 65.5 Ų | 65.5 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 9.6 | -176.5 | 56.4 | -100.5 | 0 | 0 | 0 | 113.6 | F955 K956 I959 V985 L1001 | F955-Y987 HydrophobicContact CB-CE1 4.32Å; K956-Y987 HydrophobicContact CB-CE1 4.47Å; I959-Y987 HydrophobicContact CD1-CE1 3.97Å; I959-Y987 WeakPolarHBondContact CD1-OH 3.45Å; V985-Y987 VanDerWaalsContact C-N 3.29Å; V985-Y987 HydrophobicContact CG1-CD1 3.74Å; V985-Y987 HydrophobicContact CG1-CD2 3.94Å; V985-Y987 HydrophobicContact CG1-CE1 3.4Å; V985-Y987 VanDerWaalsContact CG1-CE1 3.41Å; V985-Y987 HydrophobicContact CG1-CE2 3.63Å; V985-Y987 HydrophobicContact CG1-CG 3.99Å; V985-Y987 VanDerWaalsContact CG1-CZ 3.44Å; V985-Y987 PolarHBondContact O-N 3.19Å; Y987-L1001 HydrophobicContact CE2-CD2 3.61Å; Y987-L1001 VanDerWaalsContact CE2-CD2 3.47Å; Y987-L1001 WeakPolarHBondContact OH-CD2 3.39Å |
| 988 | L | 79.6 | Confident | 80.9 | Confident | 21.75 Ų | 21.75 | 63.4 Ų | 63.4 | 11% | 0.114 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -102 | 140.8 | 174 | -64.1 | 178.3 | 0 | 0 | 0 | 110.5 | I982 V985 S990 K997 Q1000 L1001 | I982-L988 HydrophobicContact CG2-CD1 4.39Å; V985-L988 HydrophobicContact CB-CD1 3.78Å; V985-L988 HydrophobicContact CB-CG 4.05Å; V985-L988 HydrophobicContact CG1-CD1 4.01Å; V985-L988 HydrophobicContact CG1-CG 3.87Å; V985-L988 HydrophobicContact CG2-CD1 4.15Å; V985-L988 PolarHBondContact O-N 3.23Å; L988-S990 PolarHBondContact O-N 2.84Å; L988-K997 HydrophobicContact CB-CG 4.48Å; L988-K997 HydrophobicContact CD1-CB 3.95Å; L988-K997 HydrophobicContact CD1-CD 4.43Å; L988-K997 HydrophobicContact CD1-CG 4.15Å; L988-Q1000 HydrophobicContact CD2-CB 4.15Å; L988-Q1000 HydrophobicContact CD2-CG 4.03Å; L988-Q1000 VanDerWaalsContact CD2-OE1 3.29Å; L988-L1001 HydrophobicContact CD1-CD1 3.9Å; L988-L1001 HydrophobicContact CD1-CD2 3.9Å; L988-L1001 HydrophobicContact CD1-CG 3.83Å; L988-L1001 HydrophobicContact CD2-CD2 4.2Å; L988-L1001 HydrophobicContact CD2-CG 4.35Å; L988-L1001 HydrophobicContact CG-CD2 4.27Å |
| 989 | D | 76.3 | Confident | 80.6 | Confident | 103.75 Ų | 103.75 | 65.6 Ų | 65.6 | 56% | 0.555 | 34% | 0.342 | S | S | * | . | trans | -71.2 | 133.1 | 176.6 | -64.1 | -35.3 | 0 | 0 | 0 | 110.7 | Q991 Q992 K997 | D989-Q991 VanDerWaalsContact C-N 3.25Å; D989-Q991 PolarHBondContact O-N 3.11Å; D989-Q992 HydrophobicContact CB-CG 4.06Å; D989-Q992 PolarHBondContact O-N 3.22Å; D989-Q992 PolarHBondContact OD2-NE2 3.05Å; D989-K997 WeakPolarHBondContact O-CE 3.36Å; D989-K997 PolarHBondContact O-NZ 3.39Å | ||
| 990 | S | 72.4 | Confident | 80.3 | Confident | 106.25 Ų | 106.25 | 63.7 Ų | 63.7 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -31.7 | -177.4 | 56.9 | 0 | 0 | 0 | 0 | 113 | L988 Q992 K997 | L988-S990 PolarHBondContact O-N 2.84Å; S990-Q992 PolarHBondContact O-N 2.82Å; S990-K997 PolarHBondContact O-NZ 3.26Å |
| 991 | Q | 75.1 | Confident | 80.1 | Confident | 185.5 Ų | 185.5 | 60.6 Ų | 60.6 | 87% | 0.867 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -14.1 | -175.5 | -63.6 | -175.5 | -8.9 | 0 | 0 | 115.1 | D989 | D989-Q991 VanDerWaalsContact C-N 3.25Å; D989-Q991 PolarHBondContact O-N 3.11Å |
| 992 | Q | 75.9 | Confident | 79.7 | Confident | 58.5 Ų | 58.5 | 62.1 Ų | 62.1 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -72.6 | 146.3 | -178.3 | -71.4 | 178.9 | 12.6 | 0 | 0 | 112.3 | D989 S990 K997 | D989-Q992 HydrophobicContact CB-CG 4.06Å; D989-Q992 PolarHBondContact O-N 3.22Å; D989-Q992 PolarHBondContact OD2-NE2 3.05Å; S990-Q992 PolarHBondContact O-N 2.82Å; Q992-K997 HydrophobicContact CB-CG 4.02Å; Q992-K997 WeakPolarHBondContact O-CE 3.33Å; Q992-K997 PolarHBondContact O-NZ 3.21Å |
| 993 | D | 82 | Confident | 79.5 | Confident | 132.25 Ų | 132.25 | 62.1 Ų | 62.1 | 71% | 0.707 | 34% | 0.335 | S | S | * | . | trans | -56.8 | 146.4 | 171.9 | -68.7 | -22.6 | 0 | 0 | 0 | 111.2 | I995 G996 K997 | D993-I995 VanDerWaalsContact C-N 3.25Å; D993-I995 PolarHBondContact O-N 2.91Å; D993-G996 WeakPolarHBondContact O-CA 3.38Å; D993-G996 PolarHBondContact O-N 3.13Å; D993-K997 PolarHBondContact O-N 3.26Å | ||
| 994 | Y | 83.4 | Confident | 79.6 | Confident | 65 Ų | 65 | 58.4 Ų | 58.4 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.2 | -41.3 | -180 | -179.2 | -109.4 | 0 | 0 | 0 | 113.2 | I978 R979 I982 K997 I998 H1030 L1031 | I978-Y994 WeakPolarHBondContact CG2-OH 3.32Å; R979-Y994 HydrophobicContact CB-CE2 4.49Å; R979-Y994 HydrophobicContact CG-CE2 3.99Å; I982-Y994 HydrophobicContact CB-CE2 4.08Å; I982-Y994 HydrophobicContact CD1-CD2 4.49Å; I982-Y994 HydrophobicContact CD1-CE2 3.49Å; I982-Y994 VanDerWaalsContact CD1-CE2 3.48Å; I982-Y994 VanDerWaalsContact CD1-OH 3.28Å; I982-Y994 WeakPolarHBondContact CD1-OH 3.37Å; I982-Y994 HydrophobicContact CG1-CE2 4.41Å; I982-Y994 HydrophobicContact CG2-CD2 4.24Å; I982-Y994 HydrophobicContact CG2-CE2 4.03Å; Y994-K997 WeakPolarHBondContact O-CB 3.42Å; Y994-K997 PolarHBondContact O-N 3.05Å; Y994-I998 HydrophobicContact CD1-CD1 4.04Å; Y994-I998 HydrophobicContact CE1-CD1 3.47Å; Y994-I998 VanDerWaalsContact CE1-CD1 3.46Å; Y994-I998 HydrophobicContact CE1-CG1 4.5Å; Y994-I998 HydrophobicContact CE2-CD1 4.3Å; Y994-I998 WeakPolarHBondContact O-CG1 3.39Å; Y994-I998 PolarHBondContact O-N 3.1Å; Y994-I998 VanDerWaalsContact O-N 3.15Å; Y994-H1030 AromaticContact CE1-NE2 3.89Å; Y994-H1030 AromaticContact CZ-NE2 3.75Å; Y994-H1030 PolarHBondContact OH-CE1 2.98Å; Y994-H1030 PolarHBondContact OH-NE2 3.27Å; Y994-L1031 HydrophobicContact CE1-CD2 4.31Å |
| 995 | I | 80.6 | Confident | 79.7 | Confident | 72.25 Ų | 72.25 | 55.2 Ų | 55.2 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 177.5 | -62.1 | 168.1 | 0 | 0 | 0 | 110.3 | D993 K997 I998 V999 M1033 L1041 | D993-I995 VanDerWaalsContact C-N 3.25Å; D993-I995 PolarHBondContact O-N 2.91Å; I995-K997 VanDerWaalsContact C-N 3.32Å; I995-K997 PolarHBondContact O-N 3.18Å; I995-I998 PolarHBondContact O-N 3.22Å; I995-I998 VanDerWaalsContact O-N 3.16Å; I995-V999 HydrophobicContact CG2-CG2 4.38Å; I995-V999 VanDerWaalsContact O-CG2 3.3Å; I995-V999 WeakPolarHBondContact O-CG2 3.35Å; I995-V999 PolarHBondContact O-N 3.13Å; I995-M1033 HydrophobicContact CD1-CE 3.8Å; I995-M1033 HydrophobicContact CD1-SD 4.02Å; I995-M1033 HydrophobicContact CG1-CE 4.28Å; I995-M1033 HydrophobicContact CG2-CE 4.19Å; I995-M1033 HydrophobicContact CG2-SD 4.37Å; I995-L1041 HydrophobicContact CG2-CD1 4.16Å; I995-L1041 HydrophobicContact CG2-CD2 4.46Å |
| 996 | G | 80.2 | Confident | 79.7 | Confident | 31.75 Ų | 31.75 | 58 Ų | 58 | 33% | 0.327 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D993 I998 V999 Q1000 | D993-G996 WeakPolarHBondContact O-CA 3.38Å; D993-G996 PolarHBondContact O-N 3.13Å; G996-I998 PolarHBondContact O-N 3.15Å; G996-V999 PolarHBondContact O-N 3.26Å; G996-Q1000 WeakPolarHBondContact O-CB 3.31Å; G996-Q1000 WeakPolarHBondContact O-CG 3.33Å; G996-Q1000 PolarHBondContact O-N 3.05Å |
| 997 | K | 83.2 | Confident | 80 | Confident | 32.5 Ų | 32.5 | 55.6 Ų | 55.6 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.2 | -48.1 | 173.9 | -72.8 | -179.8 | -179.3 | 169.7 | 0 | 112.1 | I982 L988 D989 S990 Q992 D993 Y994 I995 V999 Q1000 L1001 | I982-K997 HydrophobicContact CG2-CB 3.88Å; I982-K997 HydrophobicContact CG2-CD 4.13Å; L988-K997 HydrophobicContact CB-CG 4.48Å; L988-K997 HydrophobicContact CD1-CB 3.95Å; L988-K997 HydrophobicContact CD1-CD 4.43Å; L988-K997 HydrophobicContact CD1-CG 4.15Å; D989-K997 WeakPolarHBondContact O-CE 3.36Å; D989-K997 PolarHBondContact O-NZ 3.39Å; S990-K997 PolarHBondContact O-NZ 3.26Å; Q992-K997 HydrophobicContact CB-CG 4.02Å; Q992-K997 WeakPolarHBondContact O-CE 3.33Å; Q992-K997 PolarHBondContact O-NZ 3.21Å; D993-K997 PolarHBondContact O-N 3.26Å; Y994-K997 WeakPolarHBondContact O-CB 3.42Å; Y994-K997 PolarHBondContact O-N 3.05Å; I995-K997 VanDerWaalsContact C-N 3.32Å; I995-K997 PolarHBondContact O-N 3.18Å; K997-V999 PolarHBondContact O-N 3.08Å; K997-Q1000 PolarHBondContact O-N 3.11Å; K997-L1001 VanDerWaalsContact O-CG 3.26Å; K997-L1001 WeakPolarHBondContact O-CG 3.41Å; K997-L1001 PolarHBondContact O-N 3.04Å |
| 998 | I | 82.1 | Confident | 80.3 | Confident | 2.25 Ų | 2.25 | 51.4 Ų | 51.4 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 179.5 | -68.2 | 177.5 | 0 | 0 | 0 | 111.8 | I982 Y994 I995 G996 Q1000 L1001 C1002 I1003 L1004 L1031 | I982-I998 HydrophobicContact CD1-CD1 3.69Å; I982-I998 HydrophobicContact CD1-CG1 3.5Å; I982-I998 VanDerWaalsContact CD1-CG1 3.49Å; I982-I998 HydrophobicContact CG1-CG1 4.44Å; Y994-I998 HydrophobicContact CD1-CD1 4.04Å; Y994-I998 HydrophobicContact CE1-CD1 3.47Å; Y994-I998 VanDerWaalsContact CE1-CD1 3.46Å; Y994-I998 HydrophobicContact CE1-CG1 4.5Å; Y994-I998 HydrophobicContact CE2-CD1 4.3Å; Y994-I998 WeakPolarHBondContact O-CG1 3.39Å; Y994-I998 PolarHBondContact O-N 3.1Å; Y994-I998 VanDerWaalsContact O-N 3.15Å; I995-I998 PolarHBondContact O-N 3.22Å; I995-I998 VanDerWaalsContact O-N 3.16Å; G996-I998 PolarHBondContact O-N 3.15Å; I998-Q1000 VanDerWaalsContact C-N 3.35Å; I998-L1001 PolarHBondContact O-N 3.31Å; I998-C1002 PolarHBondContact O-N 3.09Å; I998-I1003 HydrophobicContact CG2-CD1 4.29Å; I998-I1003 HydrophobicContact CG2-CG1 4.23Å; I998-L1004 HydrophobicContact CG2-CD1 3.51Å; I998-L1004 VanDerWaalsContact CG2-CD1 3.44Å; I998-L1004 HydrophobicContact CG2-CD2 3.91Å; I998-L1004 HydrophobicContact CG2-CG 3.58Å; I998-L1031 HydrophobicContact CD1-CD2 3.47Å; I998-L1031 VanDerWaalsContact CD1-CD2 3.46Å |
| 999 | V | 78.9 | Confident | 80.6 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 177.6 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | I995 G996 K997 L1001 C1002 L1041 N1042 | I995-V999 HydrophobicContact CG2-CG2 4.38Å; I995-V999 VanDerWaalsContact O-CG2 3.3Å; I995-V999 WeakPolarHBondContact O-CG2 3.35Å; I995-V999 PolarHBondContact O-N 3.13Å; G996-V999 PolarHBondContact O-N 3.26Å; K997-V999 PolarHBondContact O-N 3.08Å; V999-L1001 VanDerWaalsContact C-N 3.31Å; V999-L1001 PolarHBondContact O-N 3.3Å; V999-C1002 PolarHBondContact O-N 3.43Å; V999-C1002 VanDerWaalsContact O-N 3.11Å; V999-C1002 PolarHBondContact O-SG 3.26Å; V999-C1002 VanDerWaalsContact O-SG 3.38Å; V999-L1041 HydrophobicContact CG2-CB 4.31Å; V999-L1041 HydrophobicContact CG2-CD1 4.34Å; V999-N1042 PolarHBondContact O-OD1 3.27Å |
| 1000 | Q | 79.7 | Confident | 81 | Confident | 96.25 Ų | 96.25 | 47.3 Ų | 47.3 | 45% | 0.45 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 176.4 | -152.9 | -179.2 | 3.2 | 0 | 0 | 112.5 | L988 G996 K997 I998 C1002 | L988-Q1000 HydrophobicContact CD2-CB 4.15Å; L988-Q1000 HydrophobicContact CD2-CG 4.03Å; L988-Q1000 VanDerWaalsContact CD2-OE1 3.29Å; G996-Q1000 WeakPolarHBondContact O-CB 3.31Å; G996-Q1000 WeakPolarHBondContact O-CG 3.33Å; G996-Q1000 PolarHBondContact O-N 3.05Å; K997-Q1000 PolarHBondContact O-N 3.11Å; I998-Q1000 VanDerWaalsContact C-N 3.35Å; Q1000-C1002 PolarHBondContact O-N 3.06Å; Q1000-C1002 PolarHBondContact O-SG 3.09Å; Q1000-C1002 VanDerWaalsContact O-SG 3.37Å |
| 1001 | L | 79.5 | Confident | 81.5 | Confident | 18.8 Ų | 18.8 | 42.3 Ų | 42.3 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.7 | -20.4 | 176.3 | -70.8 | 174.9 | 0 | 0 | 0 | 113.6 | I959 I982 V985 Y987 L988 K997 I998 V999 I1003 | I959-L1001 HydrophobicContact CD1-CD1 3.87Å; I959-L1001 HydrophobicContact CD1-CD2 3.8Å; I959-L1001 HydrophobicContact CD1-CG 4.17Å; I959-L1001 HydrophobicContact CG1-CD1 4.09Å; I959-L1001 HydrophobicContact CG1-CD2 4.15Å; I982-L1001 HydrophobicContact CG1-CD1 4.17Å; V985-L1001 HydrophobicContact CG1-CD2 4.1Å; V985-L1001 HydrophobicContact CG2-CD1 4.41Å; V985-L1001 HydrophobicContact CG2-CD2 4.47Å; Y987-L1001 HydrophobicContact CE2-CD2 3.61Å; Y987-L1001 VanDerWaalsContact CE2-CD2 3.47Å; Y987-L1001 WeakPolarHBondContact OH-CD2 3.39Å; L988-L1001 HydrophobicContact CD1-CD1 3.9Å; L988-L1001 HydrophobicContact CD1-CD2 3.9Å; L988-L1001 HydrophobicContact CD1-CG 3.83Å; L988-L1001 HydrophobicContact CD2-CD2 4.2Å; L988-L1001 HydrophobicContact CD2-CG 4.35Å; L988-L1001 HydrophobicContact CG-CD2 4.27Å; K997-L1001 VanDerWaalsContact O-CG 3.26Å; K997-L1001 WeakPolarHBondContact O-CG 3.41Å; K997-L1001 PolarHBondContact O-N 3.04Å; I998-L1001 PolarHBondContact O-N 3.31Å; V999-L1001 VanDerWaalsContact C-N 3.31Å; V999-L1001 PolarHBondContact O-N 3.3Å; L1001-I1003 VanDerWaalsContact C-N 3.25Å; L1001-I1003 HydrophobicContact CB-CD1 3.63Å; L1001-I1003 VanDerWaalsContact CB-CD1 3.46Å; L1001-I1003 HydrophobicContact CB-CG1 3.83Å; L1001-I1003 HydrophobicContact CB-CG2 4.07Å; L1001-I1003 HydrophobicContact CD1-CD1 3.74Å; L1001-I1003 HydrophobicContact CG-CD1 4.13Å; L1001-I1003 PolarHBondContact O-N 3.21Å; L1001-I1003 VanDerWaalsContact O-N 3.16Å |
| 1002 | C | 75.9 | Confident | 81.9 | Confident | 32.4 Ų | 32.4 | 34.4 Ų | 34.4 | 22% | 0.219 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 28 | 177.2 | -57.7 | 0 | 0 | 0 | 0 | 115.4 | I998 V999 Q1000 P1005 N1042 R1046 | I998-C1002 PolarHBondContact O-N 3.09Å; V999-C1002 PolarHBondContact O-N 3.43Å; V999-C1002 VanDerWaalsContact O-N 3.11Å; V999-C1002 PolarHBondContact O-SG 3.26Å; V999-C1002 VanDerWaalsContact O-SG 3.38Å; Q1000-C1002 PolarHBondContact O-N 3.06Å; Q1000-C1002 PolarHBondContact O-SG 3.09Å; Q1000-C1002 VanDerWaalsContact O-SG 3.37Å; C1002-P1005 VanDerWaalsContact O-CD 3.27Å; C1002-P1005 WeakPolarHBondContact O-CD 3.43Å; C1002-N1042 WeakPolarHBondContact CA-ND2 3.13Å; C1002-R1046 VanDerWaalsContact CB-CZ 3.42Å; C1002-R1046 VanDerWaalsContact CB-NH1 3.25Å; C1002-R1046 VanDerWaalsContact CB-NH2 3.29Å; C1002-R1046 PolarHBondContact SG-NH1 3.25Å |
| 1003 | I | 81.9 | Confident | 82.2 | Confident | 2.6 Ų | 2.6 | 32.4 Ų | 32.4 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | trans | -83.7 | -27.5 | -174.5 | -44.2 | 164.3 | 0 | 0 | 0 | 112.9 | I959 A960 F963 I998 L1001 E1006 T1007 | I959-I1003 HydrophobicContact CB-CD1 4.27Å; I959-I1003 HydrophobicContact CD1-CD1 3.92Å; I959-I1003 HydrophobicContact CG1-CD1 3.65Å; I959-I1003 HydrophobicContact CG1-CG2 4.23Å; I959-I1003 HydrophobicContact CG2-CD1 3.69Å; I959-I1003 HydrophobicContact CG2-CG1 4.01Å; I959-I1003 HydrophobicContact CG2-CG2 4.08Å; A960-I1003 HydrophobicContact CB-CG1 4.4Å; A960-I1003 HydrophobicContact CB-CG2 4.23Å; F963-I1003 HydrophobicContact CB-CD1 4.32Å; F963-I1003 HydrophobicContact CB-CG2 3.61Å; F963-I1003 HydrophobicContact CD1-CD1 4.08Å; F963-I1003 HydrophobicContact CD1-CG1 4.36Å; F963-I1003 HydrophobicContact CD1-CG2 3.61Å; F963-I1003 HydrophobicContact CD2-CD1 3.77Å; F963-I1003 HydrophobicContact CD2-CG1 4.44Å; F963-I1003 HydrophobicContact CD2-CG2 4.4Å; F963-I1003 HydrophobicContact CE1-CD1 4.36Å; F963-I1003 HydrophobicContact CE1-CG2 4.36Å; F963-I1003 HydrophobicContact CE2-CD1 3.71Å; F963-I1003 HydrophobicContact CG-CD1 4.01Å; F963-I1003 HydrophobicContact CG-CG1 4.3Å; F963-I1003 HydrophobicContact CG-CG2 3.62Å; F963-I1003 HydrophobicContact CZ-CD1 4.2Å; I998-I1003 HydrophobicContact CG2-CD1 4.29Å; I998-I1003 HydrophobicContact CG2-CG1 4.23Å; L1001-I1003 VanDerWaalsContact C-N 3.25Å; L1001-I1003 HydrophobicContact CB-CD1 3.63Å; L1001-I1003 VanDerWaalsContact CB-CD1 3.46Å; L1001-I1003 HydrophobicContact CB-CG1 3.83Å; L1001-I1003 HydrophobicContact CB-CG2 4.07Å; L1001-I1003 HydrophobicContact CD1-CD1 3.74Å; L1001-I1003 HydrophobicContact CG-CD1 4.13Å; L1001-I1003 PolarHBondContact O-N 3.21Å; L1001-I1003 VanDerWaalsContact O-N 3.16Å; I1003-E1006 PolarHBondContact O-N 3.23Å; I1003-E1006 VanDerWaalsContact O-N 3.13Å; I1003-T1007 HydrophobicContact CG2-CG2 3.66Å; I1003-T1007 WeakPolarHBondContact CG2-OG1 3.33Å; I1003-T1007 WeakPolarHBondContact O-CG2 3.33Å; I1003-T1007 PolarHBondContact O-N 3.12Å; I1003-T1007 VanDerWaalsContact O-N 3.08Å; I1003-T1007 PolarHBondContact O-OG1 3.12Å | ||
| 1004 | L | 83.7 | Confident | 82.2 | Confident | 2.4 Ų | 2.4 | 31.2 Ų | 31.2 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | -173.9 | -64.4 | 170.3 | 0 | 0 | 0 | 113.6 | F963 I998 E1006 T1007 L1008 L1027 L1031 I1038 L1041 N1042 | F963-L1004 HydrophobicContact CE1-CD2 4.29Å; F963-L1004 HydrophobicContact CZ-CD2 4.2Å; I998-L1004 HydrophobicContact CG2-CD1 3.51Å; I998-L1004 VanDerWaalsContact CG2-CD1 3.44Å; I998-L1004 HydrophobicContact CG2-CD2 3.91Å; I998-L1004 HydrophobicContact CG2-CG 3.58Å; L1004-E1006 VanDerWaalsContact C-N 3.34Å; L1004-E1006 PolarHBondContact O-N 3.22Å; L1004-T1007 WeakPolarHBondContact CA-OG1 3.12Å; L1004-T1007 PolarHBondContact O-N 3.15Å; L1004-T1007 PolarHBondContact O-OG1 3.39Å; L1004-L1008 WeakPolarHBondContact O-CG 3.37Å; L1004-L1008 PolarHBondContact O-N 3.12Å; L1004-L1027 HydrophobicContact CD2-CD1 4.47Å; L1004-L1027 HydrophobicContact CD2-CD2 4.39Å; L1004-L1031 HydrophobicContact CD1-CD1 4.43Å; L1004-L1031 HydrophobicContact CD2-CD1 3.9Å; L1004-I1038 HydrophobicContact CB-CG2 4.43Å; L1004-I1038 HydrophobicContact CD1-CG2 4Å; L1004-I1038 HydrophobicContact CD2-CG2 4.19Å; L1004-I1038 HydrophobicContact CG-CG2 4.42Å; L1004-L1041 HydrophobicContact CD1-CB 4.29Å; L1004-L1041 HydrophobicContact CD1-CD1 4.04Å; L1004-N1042 WeakPolarHBondContact CB-ND2 3.34Å; L1004-N1042 WeakPolarHBondContact CD1-ND2 3.29Å |
| 1005 | P | 83.3 | Confident | 82.1 | Confident | 1.8 Ų | 1.8 | 29.1 Ų | 29.1 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 175.8 | -26.4 | 36.8 | 0 | 0 | 0 | 113.1 | C1002 T1007 L1008 V1009 N1042 R1046 L1047 Q1050 | C1002-P1005 VanDerWaalsContact O-CD 3.27Å; C1002-P1005 WeakPolarHBondContact O-CD 3.43Å; P1005-T1007 VanDerWaalsContact C-N 3.32Å; P1005-T1007 PolarHBondContact O-N 3.29Å; P1005-L1008 PolarHBondContact O-N 3.3Å; P1005-V1009 WeakPolarHBondContact O-CB 3.41Å; P1005-V1009 VanDerWaalsContact O-CG2 3.25Å; P1005-V1009 WeakPolarHBondContact O-CG2 3.4Å; P1005-V1009 PolarHBondContact O-N 3.1Å; P1005-N1042 VanDerWaalsContact CD-ND2 3.31Å; P1005-N1042 WeakPolarHBondContact CD-ND2 3.26Å; P1005-N1042 HydrophobicContact CG-CB 3.77Å; P1005-R1046 HydrophobicContact CG-CG 4.49Å; P1005-L1047 HydrophobicContact CB-CB 4.41Å; P1005-L1047 HydrophobicContact CB-CD1 4.16Å; P1005-L1047 HydrophobicContact CB-CG 4.35Å; P1005-Q1050 HydrophobicContact CB-CG 4.42Å; P1005-Q1050 PolarHBondContact O-OE1 3.14Å |
| 1006 | E | 82.6 | Confident | 82.2 | Confident | 66.2 Ų | 66.2 | 28.3 Ų | 28.3 | 31% | 0.309 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67.3 | -36.8 | 180 | -67 | -179.6 | -166.1 | 0 | 0 | 111.4 | A960 I964 I1003 L1004 V1009 Y1010 Q1050 | A960-E1006 WeakPolarHBondContact CB-OE2 3.3Å; I964-E1006 HydrophobicContact CD1-CB 4.4Å; I1003-E1006 PolarHBondContact O-N 3.23Å; I1003-E1006 VanDerWaalsContact O-N 3.13Å; L1004-E1006 VanDerWaalsContact C-N 3.34Å; L1004-E1006 PolarHBondContact O-N 3.22Å; E1006-V1009 PolarHBondContact O-N 3.17Å; E1006-Y1010 WeakPolarHBondContact O-CB 3.3Å; E1006-Y1010 PolarHBondContact O-N 3.11Å; E1006-Q1050 PolarHBondContact OE1-NE2 2.96Å |
| 1007 | T | 84.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -47.1 | 177 | -36.1 | 0 | 0 | 0 | 0 | 112.2 | F963 I964 V967 I1003 L1004 P1005 V1009 Y1010 I1011 L1027 | F963-T1007 HydrophobicContact CD1-CG2 3.9Å; F963-T1007 VanDerWaalsContact CD1-OG1 3.28Å; F963-T1007 WeakPolarHBondContact CD1-OG1 3.44Å; F963-T1007 HydrophobicContact CE1-CG2 3.93Å; F963-T1007 HydrophobicContact CG-CG2 4.37Å; I964-T1007 HydrophobicContact CD1-CG2 4.43Å; I964-T1007 HydrophobicContact CG1-CG2 4Å; I964-T1007 VanDerWaalsContact CG1-CG2 3.48Å; V967-T1007 HydrophobicContact CB-CG2 4.39Å; V967-T1007 HydrophobicContact CG1-CG2 4.2Å; V967-T1007 HydrophobicContact CG2-CG2 4.32Å; I1003-T1007 HydrophobicContact CG2-CG2 3.66Å; I1003-T1007 WeakPolarHBondContact CG2-OG1 3.33Å; I1003-T1007 WeakPolarHBondContact O-CG2 3.33Å; I1003-T1007 PolarHBondContact O-N 3.12Å; I1003-T1007 VanDerWaalsContact O-N 3.08Å; I1003-T1007 PolarHBondContact O-OG1 3.12Å; L1004-T1007 WeakPolarHBondContact CA-OG1 3.12Å; L1004-T1007 PolarHBondContact O-N 3.15Å; L1004-T1007 PolarHBondContact O-OG1 3.39Å; P1005-T1007 VanDerWaalsContact C-N 3.32Å; P1005-T1007 PolarHBondContact O-N 3.29Å; T1007-V1009 VanDerWaalsContact C-N 3.34Å; T1007-V1009 PolarHBondContact O-N 3.12Å; T1007-Y1010 WeakPolarHBondContact O-CB 3.37Å; T1007-Y1010 PolarHBondContact O-N 3.17Å; T1007-I1011 HydrophobicContact CG2-CD1 4.07Å; T1007-I1011 VanDerWaalsContact O-CG1 3.29Å; T1007-I1011 WeakPolarHBondContact O-CG1 3.44Å; T1007-I1011 PolarHBondContact O-N 3.25Å; T1007-L1027 HydrophobicContact CG2-CD1 3.98Å; T1007-L1027 HydrophobicContact CG2-CD2 4.49Å |
| 1008 | L | 85.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 176.4 | -69.9 | 174 | 0 | 0 | 0 | 110.3 | L1004 P1005 Y1010 I1011 F1012 L1024 L1027 I1035 A1039 L1047 W1068 | L1004-L1008 WeakPolarHBondContact O-CG 3.37Å; L1004-L1008 PolarHBondContact O-N 3.12Å; P1005-L1008 PolarHBondContact O-N 3.3Å; L1008-Y1010 VanDerWaalsContact C-N 3.29Å; L1008-Y1010 PolarHBondContact O-N 3.17Å; L1008-I1011 PolarHBondContact O-N 3.11Å; L1008-F1012 VanDerWaalsContact O-CD2 3.25Å; L1008-F1012 WeakPolarHBondContact O-CD2 3.27Å; L1008-F1012 PolarHBondContact O-N 3.22Å; L1008-L1024 HydrophobicContact CD2-CD2 3.74Å; L1008-L1027 HydrophobicContact CD2-CD1 4.3Å; L1008-L1027 HydrophobicContact CD2-CD2 4.46Å; L1008-I1035 HydrophobicContact CD2-CG2 3.99Å; L1008-A1039 HydrophobicContact CD1-CB 4.25Å; L1008-L1047 HydrophobicContact CB-CD1 4.06Å; L1008-L1047 HydrophobicContact CD1-CD1 3.76Å; L1008-L1047 HydrophobicContact CD1-CD2 4.39Å; L1008-L1047 HydrophobicContact CG-CD1 4.47Å; L1008-W1068 HydrophobicContact CD1-CH2 4.34Å; L1008-W1068 HydrophobicContact CD1-CZ3 4.4Å |
| 1009 | V | 84.9 | Confident | 81.9 | Confident | 4.4 Ų | 4.4 | 42.4 Ų | 42.4 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | P1005 E1006 T1007 T1013 L1047 Q1050 F1051 R1054 | P1005-V1009 WeakPolarHBondContact O-CB 3.41Å; P1005-V1009 VanDerWaalsContact O-CG2 3.25Å; P1005-V1009 WeakPolarHBondContact O-CG2 3.4Å; P1005-V1009 PolarHBondContact O-N 3.1Å; E1006-V1009 PolarHBondContact O-N 3.17Å; T1007-V1009 VanDerWaalsContact C-N 3.34Å; T1007-V1009 PolarHBondContact O-N 3.12Å; V1009-T1013 HydrophobicContact CG1-CG2 4.26Å; V1009-T1013 VanDerWaalsContact O-CB 3.31Å; V1009-T1013 WeakPolarHBondContact O-CB 3.38Å; V1009-T1013 VanDerWaalsContact O-CG2 3.26Å; V1009-T1013 WeakPolarHBondContact O-CG2 3.39Å; V1009-T1013 PolarHBondContact O-N 3.19Å; V1009-T1013 PolarHBondContact O-OG1 3.14Å; V1009-L1047 HydrophobicContact CG2-CD1 4.22Å; V1009-Q1050 HydrophobicContact CG2-CB 3.74Å; V1009-F1051 HydrophobicContact CB-CD1 4.42Å; V1009-F1051 HydrophobicContact CB-CE1 4.22Å; V1009-F1051 HydrophobicContact CB-CZ 4.45Å; V1009-F1051 HydrophobicContact CG1-CD1 4.27Å; V1009-F1051 HydrophobicContact CG1-CE1 4.4Å; V1009-F1051 HydrophobicContact CG2-CD1 3.84Å; V1009-F1051 HydrophobicContact CG2-CD2 3.74Å; V1009-F1051 HydrophobicContact CG2-CE1 3.82Å; V1009-F1051 HydrophobicContact CG2-CE2 3.75Å; V1009-F1051 HydrophobicContact CG2-CG 3.8Å; V1009-F1051 HydrophobicContact CG2-CZ 3.79Å; V1009-R1054 HydrophobicContact CG1-CB 4.19Å; V1009-R1054 HydrophobicContact CG1-CG 3.56Å |
| 1010 | Y | 84.3 | Confident | 82.1 | Confident | 36.2 Ų | 36.2 | 41.4 Ų | 41.4 | 14% | 0.142 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -50 | 176 | -170.7 | -74.7 | 0 | 0 | 0 | 111.6 | H922 I964 I968 E1006 T1007 L1008 F1012 T1013 R1014 T1015 | H922-Y1010 AromaticContact CD2-CE2 3.43Å; H922-Y1010 VanDerWaalsContact CD2-CE2 3.43Å; H922-Y1010 WeakPolarHBondContact CD2-CE2 3.21Å; H922-Y1010 AromaticContact CE1-CD2 3.6Å; H922-Y1010 AromaticContact CE1-CE2 3.37Å; H922-Y1010 WeakPolarHBondContact CE1-CE2 3.28Å; H922-Y1010 AromaticContact ND1-CE2 3.82Å; H922-Y1010 AromaticContact NE2-CD2 3.72Å; H922-Y1010 WeakPolarHBondContact NE2-CD2 3.24Å; H922-Y1010 AromaticContact NE2-CE2 3.48Å; H922-Y1010 WeakPolarHBondContact NE2-CE2 3.12Å; I964-Y1010 HydrophobicContact CD1-CD2 4.27Å; I964-Y1010 HydrophobicContact CD1-CG 4.4Å; I964-Y1010 HydrophobicContact CG2-CD1 3.65Å; I964-Y1010 HydrophobicContact CG2-CD2 3.63Å; I964-Y1010 HydrophobicContact CG2-CE1 3.98Å; I964-Y1010 HydrophobicContact CG2-CE2 3.88Å; I964-Y1010 HydrophobicContact CG2-CG 3.49Å; I964-Y1010 VanDerWaalsContact CG2-CG 3.46Å; I968-Y1010 HydrophobicContact CD1-CD1 3.74Å; I968-Y1010 HydrophobicContact CD1-CE1 3.15Å; I968-Y1010 HydrophobicContact CG1-CD1 4.44Å; I968-Y1010 HydrophobicContact CG1-CE1 4.16Å; E1006-Y1010 WeakPolarHBondContact O-CB 3.3Å; E1006-Y1010 PolarHBondContact O-N 3.11Å; T1007-Y1010 WeakPolarHBondContact O-CB 3.37Å; T1007-Y1010 PolarHBondContact O-N 3.17Å; L1008-Y1010 VanDerWaalsContact C-N 3.29Å; L1008-Y1010 PolarHBondContact O-N 3.17Å; Y1010-F1012 VanDerWaalsContact C-N 3.35Å; Y1010-F1012 PolarHBondContact O-N 3.23Å; Y1010-T1013 PolarHBondContact O-N 3.21Å; Y1010-T1013 PolarHBondContact O-OG1 3.29Å; Y1010-R1014 HydrophobicContact CD1-CB 4.2Å; Y1010-R1014 HydrophobicContact CD2-CG 4.49Å; Y1010-R1014 HydrophobicContact CE1-CB 3.83Å; Y1010-R1014 HydrophobicContact CE1-CG 4.49Å; Y1010-R1014 HydrophobicContact CE2-CB 4.44Å; Y1010-R1014 VanDerWaalsContact CE2-CD 3.43Å; Y1010-R1014 HydrophobicContact CE2-CG 4.32Å; Y1010-R1014 VanDerWaalsContact CE2-NH1 3.31Å; Y1010-R1014 WeakPolarHBondContact O-CB 3.3Å; Y1010-R1014 PolarHBondContact O-N 3.27Å; Y1010-R1014 PolarHBondContact OH-NH1 3.3Å; Y1010-T1015 HydrophobicContact CE1-CG2 4.39Å |
| 1011 | I | 84 | Confident | 82.3 | Confident | 1.2 Ų | 1.2 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.2 | -51.7 | 179.6 | -67.6 | 164.8 | 0 | 0 | 0 | 109.7 | V967 T1007 L1008 T1013 T1015 Q1020 H1023 L1024 L1027 | V967-I1011 HydrophobicContact CG1-CD1 4.15Å; T1007-I1011 HydrophobicContact CG2-CD1 4.07Å; T1007-I1011 VanDerWaalsContact O-CG1 3.29Å; T1007-I1011 WeakPolarHBondContact O-CG1 3.44Å; T1007-I1011 PolarHBondContact O-N 3.25Å; L1008-I1011 PolarHBondContact O-N 3.11Å; I1011-T1013 VanDerWaalsContact C-N 3.32Å; I1011-T1013 PolarHBondContact O-N 3.37Å; I1011-T1015 WeakPolarHBondContact O-CB 3.36Å; I1011-T1015 PolarHBondContact O-N 3.28Å; I1011-T1015 PolarHBondContact O-OG1 3.12Å; I1011-Q1020 HydrophobicContact CG2-CB 4.2Å; I1011-Q1020 HydrophobicContact CG2-CG 3.92Å; I1011-Q1020 WeakPolarHBondContact O-CG 3.39Å; I1011-H1023 HydrophobicContact CD1-CB 4.09Å; I1011-H1023 HydrophobicContact CG1-CB 4.16Å; I1011-H1023 HydrophobicContact CG2-CB 4.28Å; I1011-L1024 HydrophobicContact CD1-CD2 4.26Å; I1011-L1024 HydrophobicContact CG2-CD2 4.29Å; I1011-L1024 HydrophobicContact CG2-CG 4.12Å; I1011-L1027 HydrophobicContact CD1-CD1 4.17Å; I1011-L1027 VanDerWaalsContact CD1-CD1 3.5Å |
| 1012 | F | 82.7 | Confident | 82.6 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66 | -28.1 | -178.9 | -84.3 | -77.2 | 0 | 0 | 0 | 114.8 | L1008 Y1010 Q1020 L1024 F1051 G1061 W1068 | L1008-F1012 VanDerWaalsContact O-CD2 3.25Å; L1008-F1012 WeakPolarHBondContact O-CD2 3.27Å; L1008-F1012 PolarHBondContact O-N 3.22Å; Y1010-F1012 VanDerWaalsContact C-N 3.35Å; Y1010-F1012 PolarHBondContact O-N 3.23Å; F1012-Q1020 PolarHBondContact O-NE2 3.15Å; F1012-L1024 HydrophobicContact CZ-CD1 4.42Å; F1012-F1051 HydrophobicContact CB-CE1 3.69Å; F1012-F1051 HydrophobicContact CB-CZ 4.1Å; F1012-F1051 HydrophobicContact CD2-CE1 4.2Å; F1012-F1051 AromaticContact CD2-CZ 3.7Å; F1012-F1051 HydrophobicContact CD2-CZ 3.7Å; F1012-F1051 HydrophobicContact CE2-CZ 4.43Å; F1012-F1051 HydrophobicContact CG-CE1 4.12Å; F1012-F1051 HydrophobicContact CG-CZ 4.08Å; F1012-G1061 VanDerWaalsContact O-CA 3.28Å; F1012-G1061 WeakPolarHBondContact O-CA 3.44Å; F1012-W1068 HydrophobicContact CE1-CB 4.44Å; F1012-W1068 HydrophobicContact CE1-CG 4.48Å; F1012-W1068 HydrophobicContact CE2-CD2 4.19Å; F1012-W1068 AromaticContact CE2-CE3 3.83Å; F1012-W1068 HydrophobicContact CE2-CE3 3.94Å; F1012-W1068 HydrophobicContact CE2-CZ3 4.22Å; F1012-W1068 HydrophobicContact CZ-CB 4.32Å; F1012-W1068 AromaticContact CZ-CD2 3.8Å; F1012-W1068 HydrophobicContact CZ-CD2 3.84Å; F1012-W1068 AromaticContact CZ-CE3 3.83Å; F1012-W1068 HydrophobicContact CZ-CE3 4.05Å; F1012-W1068 AromaticContact CZ-CG 3.92Å; F1012-W1068 HydrophobicContact CZ-CG 3.96Å; F1012-W1068 HydrophobicContact CZ-CZ3 4.44Å |
| 1013 | T | 83 | Confident | 83.2 | Confident | 17.4 Ų | 17.4 | 42.6 Ų | 42.6 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -97.4 | -33.3 | -173 | 56 | 0 | 0 | 0 | 0 | 114.3 | V1009 Y1010 I1011 R1054 Y1058 A1062 | V1009-T1013 HydrophobicContact CG1-CG2 4.26Å; V1009-T1013 VanDerWaalsContact O-CB 3.31Å; V1009-T1013 WeakPolarHBondContact O-CB 3.38Å; V1009-T1013 VanDerWaalsContact O-CG2 3.26Å; V1009-T1013 WeakPolarHBondContact O-CG2 3.39Å; V1009-T1013 PolarHBondContact O-N 3.19Å; V1009-T1013 PolarHBondContact O-OG1 3.14Å; Y1010-T1013 PolarHBondContact O-N 3.21Å; Y1010-T1013 PolarHBondContact O-OG1 3.29Å; I1011-T1013 VanDerWaalsContact C-N 3.32Å; I1011-T1013 PolarHBondContact O-N 3.37Å; T1013-R1054 HydrophobicContact CG2-CB 4.06Å; T1013-Y1058 VanDerWaalsContact O-CD1 3.3Å; T1013-Y1058 WeakPolarHBondContact O-CD1 3.37Å; T1013-A1062 HydrophobicContact CG2-CB 4.39Å |
| 1014 | R | 81.6 | Confident | 83.4 | Confident | 106.2 Ų | 106.2 | 43.5 Ų | 43.5 | 40% | 0.401 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -113 | -13.8 | -172 | -71 | -173 | 172.5 | -178.8 | -0.1 | 115.1 | H922 Y1010 Y1058 | H922-R1014 PolarHBondContact CD2-NH1 3.2Å; H922-R1014 PolarHBondContact NE2-NH1 2.83Å; Y1010-R1014 HydrophobicContact CD1-CB 4.2Å; Y1010-R1014 HydrophobicContact CD2-CG 4.49Å; Y1010-R1014 HydrophobicContact CE1-CB 3.83Å; Y1010-R1014 HydrophobicContact CE1-CG 4.49Å; Y1010-R1014 HydrophobicContact CE2-CB 4.44Å; Y1010-R1014 VanDerWaalsContact CE2-CD 3.43Å; Y1010-R1014 HydrophobicContact CE2-CG 4.32Å; Y1010-R1014 VanDerWaalsContact CE2-NH1 3.31Å; Y1010-R1014 WeakPolarHBondContact O-CB 3.3Å; Y1010-R1014 PolarHBondContact O-N 3.27Å; Y1010-R1014 PolarHBondContact OH-NH1 3.3Å; R1014-Y1058 HydrophobicContact CG-CE1 4.18Å; R1014-Y1058 HydrophobicContact CG-CE2 4.02Å; R1014-Y1058 PolarHBondContact NE-OH 3.33Å; R1014-Y1058 PolarHBondContact NH2-OH 3.03Å |
| 1015 | T | 82.5 | Confident | 83.5 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -103.7 | 151.4 | -179.9 | 71.4 | 0 | 0 | 0 | 0 | 111.8 | Y1010 I1011 Q1020 | Y1010-T1015 HydrophobicContact CE1-CG2 4.39Å; I1011-T1015 WeakPolarHBondContact O-CB 3.36Å; I1011-T1015 PolarHBondContact O-N 3.28Å; I1011-T1015 PolarHBondContact O-OG1 3.12Å; T1015-Q1020 PolarHBondContact O-NE2 2.99Å; T1015-Q1020 WeakPolarHBondContact OG1-CG 3.37Å |
| 1016 | S | 82.3 | Confident | 83.7 | Confident | 56.2 Ų | 56.2 | 46.5 Ų | 46.5 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | trans | -68.1 | 162.2 | 177.8 | 80.8 | 0 | 0 | 0 | 0 | 110.8 | D1018 D1019 Q1020 | S1016-D1018 PolarHBondContact O-N 3.12Å; S1016-D1019 WeakPolarHBondContact CB-OD2 3.35Å; S1016-D1019 PolarHBondContact O-N 3.24Å; S1016-D1019 PolarHBondContact OG-N 3.2Å; S1016-D1019 PolarHBondContact OG-OD2 3.09Å; S1016-Q1020 WeakPolarHBondContact O-CB 3.21Å; S1016-Q1020 WeakPolarHBondContact O-CG 3.4Å; S1016-Q1020 PolarHBondContact O-N 3.23Å | ||
| 1017 | K | 76.6 | Confident | 83.9 | Confident | 152.6 Ų | 152.6 | 43.4 Ų | 43.4 | 66% | 0.663 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.2 | -33.7 | -178.6 | -74 | -174 | 177.8 | 180 | 0 | 113.4 | ||
| 1018 | D | 78.3 | Confident | 84 | Confident | 132.6 Ų | 132.6 | 46.6 Ų | 46.6 | 71% | 0.709 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -74 | -42.6 | 179.8 | -58.7 | -32.4 | 0 | 0 | 0 | 110 | S1016 Q1020 A1021 V1022 | S1016-D1018 PolarHBondContact O-N 3.12Å; D1018-Q1020 VanDerWaalsContact C-N 3.33Å; D1018-Q1020 PolarHBondContact O-N 3.15Å; D1018-A1021 PolarHBondContact O-N 3.29Å; D1018-V1022 PolarHBondContact O-N 3.3Å |
| 1019 | D | 83.1 | Confident | 84.1 | Confident | 76.4 Ų | 76.4 | 49.6 Ų | 49.6 | 41% | 0.409 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66 | -34.5 | 175.4 | -58.4 | -35.3 | 0 | 0 | 0 | 112.2 | S1016 A1021 V1022 H1023 | S1016-D1019 WeakPolarHBondContact CB-OD2 3.35Å; S1016-D1019 PolarHBondContact O-N 3.24Å; S1016-D1019 PolarHBondContact OG-N 3.2Å; S1016-D1019 PolarHBondContact OG-OD2 3.09Å; D1019-A1021 VanDerWaalsContact C-N 3.29Å; D1019-A1021 PolarHBondContact O-N 3.34Å; D1019-V1022 PolarHBondContact O-N 3.24Å; D1019-V1022 VanDerWaalsContact O-N 3.13Å; D1019-H1023 PolarHBondContact O-CD2 3.01Å; D1019-H1023 VanDerWaalsContact O-CG 3.3Å; D1019-H1023 PolarHBondContact O-N 3.24Å |
| 1020 | Q | 83.6 | Confident | 84.2 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.4 | -45.8 | 176.1 | -77.3 | 170.7 | 20.2 | 0 | 0 | 111 | I1011 F1012 T1015 S1016 D1018 V1022 H1023 L1024 | I1011-Q1020 HydrophobicContact CG2-CB 4.2Å; I1011-Q1020 HydrophobicContact CG2-CG 3.92Å; I1011-Q1020 WeakPolarHBondContact O-CG 3.39Å; F1012-Q1020 PolarHBondContact O-NE2 3.15Å; T1015-Q1020 PolarHBondContact O-NE2 2.99Å; T1015-Q1020 WeakPolarHBondContact OG1-CG 3.37Å; S1016-Q1020 WeakPolarHBondContact O-CB 3.21Å; S1016-Q1020 WeakPolarHBondContact O-CG 3.4Å; S1016-Q1020 PolarHBondContact O-N 3.23Å; D1018-Q1020 VanDerWaalsContact C-N 3.33Å; D1018-Q1020 PolarHBondContact O-N 3.15Å; Q1020-V1022 VanDerWaalsContact C-N 3.32Å; Q1020-V1022 PolarHBondContact O-N 3.03Å; Q1020-H1023 PolarHBondContact O-N 3.07Å; Q1020-L1024 VanDerWaalsContact O-CB 3.23Å; Q1020-L1024 WeakPolarHBondContact O-CB 3.21Å; Q1020-L1024 WeakPolarHBondContact O-CD1 3.38Å; Q1020-L1024 WeakPolarHBondContact O-CG 3.4Å; Q1020-L1024 PolarHBondContact O-N 2.95Å |
| 1021 | A | 83.4 | Confident | 84.2 | Confident | 63.6 Ų | 63.6 | 48.8 Ų | 48.8 | 53% | 0.526 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1018 D1019 A1025 | D1018-A1021 PolarHBondContact O-N 3.29Å; D1019-A1021 VanDerWaalsContact C-N 3.29Å; D1019-A1021 PolarHBondContact O-N 3.34Å; A1021-A1025 VanDerWaalsContact O-CB 3.22Å; A1021-A1025 WeakPolarHBondContact O-CB 3.29Å; A1021-A1025 PolarHBondContact O-N 3.27Å |
| 1022 | V | 86.9 | Confident | 84.2 | Confident | 90.6 Ų | 90.6 | 55.9 Ų | 55.9 | 55% | 0.549 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.9 | -49.6 | 178.5 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | D1018 D1019 Q1020 L1024 A1025 F1026 | D1018-V1022 PolarHBondContact O-N 3.3Å; D1019-V1022 PolarHBondContact O-N 3.24Å; D1019-V1022 VanDerWaalsContact O-N 3.13Å; Q1020-V1022 VanDerWaalsContact C-N 3.32Å; Q1020-V1022 PolarHBondContact O-N 3.03Å; V1022-L1024 PolarHBondContact O-N 3.29Å; V1022-A1025 PolarHBondContact O-N 3.15Å; V1022-F1026 WeakPolarHBondContact O-CB 3.37Å; V1022-F1026 PolarHBondContact O-N 3.12Å |
| 1023 | H | 87.2 | Confident | 84.3 | Confident | 17.6 Ų | 17.6 | 56 Ų | 56 | 8% | 0.081 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.6 | -36.4 | -178.7 | -60.1 | -45.2 | 0 | 0 | 0 | 112.6 | I968 I1011 D1019 Q1020 F1026 L1027 | I968-H1023 PolarHBondContact O-CE1 3.13Å; I968-H1023 PolarHBondContact O-ND1 3.08Å; I1011-H1023 HydrophobicContact CD1-CB 4.09Å; I1011-H1023 HydrophobicContact CG1-CB 4.16Å; I1011-H1023 HydrophobicContact CG2-CB 4.28Å; D1019-H1023 PolarHBondContact O-CD2 3.01Å; D1019-H1023 VanDerWaalsContact O-CG 3.3Å; D1019-H1023 PolarHBondContact O-N 3.24Å; Q1020-H1023 PolarHBondContact O-N 3.07Å; H1023-F1026 PolarHBondContact O-N 3.31Å; H1023-L1027 WeakPolarHBondContact O-CB 3.35Å; H1023-L1027 PolarHBondContact O-N 3.25Å |
| 1024 | L | 86.3 | Confident | 84.4 | Confident | 21.4 Ų | 21.4 | 58 Ų | 58 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 174.2 | -71.8 | 174.8 | 0 | 0 | 0 | 111 | L1008 I1011 F1012 Q1020 V1022 F1026 L1027 E1028 I1035 | L1008-L1024 HydrophobicContact CD2-CD2 3.74Å; I1011-L1024 HydrophobicContact CD1-CD2 4.26Å; I1011-L1024 HydrophobicContact CG2-CD2 4.29Å; I1011-L1024 HydrophobicContact CG2-CG 4.12Å; F1012-L1024 HydrophobicContact CZ-CD1 4.42Å; Q1020-L1024 VanDerWaalsContact O-CB 3.23Å; Q1020-L1024 WeakPolarHBondContact O-CB 3.21Å; Q1020-L1024 WeakPolarHBondContact O-CD1 3.38Å; Q1020-L1024 WeakPolarHBondContact O-CG 3.4Å; Q1020-L1024 PolarHBondContact O-N 2.95Å; V1022-L1024 PolarHBondContact O-N 3.29Å; L1024-F1026 VanDerWaalsContact C-N 3.31Å; L1024-F1026 PolarHBondContact O-N 3.19Å; L1024-L1027 WeakPolarHBondContact O-CB 3.44Å; L1024-L1027 PolarHBondContact O-N 2.99Å; L1024-L1027 VanDerWaalsContact O-N 3.13Å; L1024-E1028 WeakPolarHBondContact O-CG 3.46Å; L1024-E1028 PolarHBondContact O-N 3.29Å; L1024-I1035 HydrophobicContact CB-CD1 3.69Å; L1024-I1035 HydrophobicContact CB-CG1 4.21Å; L1024-I1035 HydrophobicContact CD1-CD1 4.28Å; L1024-I1035 HydrophobicContact CD2-CD1 4.28Å; L1024-I1035 HydrophobicContact CD2-CG1 4.22Å; L1024-I1035 HydrophobicContact CD2-CG2 4.07Å; L1024-I1035 HydrophobicContact CG-CD1 4.31Å |
| 1025 | A | 85.9 | Confident | 84.4 | Confident | 51.2 Ų | 51.2 | 54.1 Ų | 54.1 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1021 V1022 L1027 E1028 A1029 | A1021-A1025 VanDerWaalsContact O-CB 3.22Å; A1021-A1025 WeakPolarHBondContact O-CB 3.29Å; A1021-A1025 PolarHBondContact O-N 3.27Å; V1022-A1025 PolarHBondContact O-N 3.15Å; A1025-L1027 VanDerWaalsContact C-N 3.33Å; A1025-L1027 PolarHBondContact O-N 3.14Å; A1025-E1028 PolarHBondContact O-N 3.11Å; A1025-A1029 WeakPolarHBondContact O-CB 3.28Å; A1025-A1029 PolarHBondContact O-N 3.21Å |
| 1026 | F | 89.1 | Confident | 84.2 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 172.3 | 174.9 | -89.2 | 0 | 0 | 0 | 111.6 | V967 G970 S974 H975 I978 V1022 H1023 L1024 E1028 A1029 H1030 | V967-F1026 HydrophobicContact CB-CD1 4.44Å; V967-F1026 HydrophobicContact CB-CE1 4.43Å; V967-F1026 HydrophobicContact CG1-CD1 4.16Å; V967-F1026 HydrophobicContact CG2-CD1 4.43Å; V967-F1026 HydrophobicContact CG2-CE1 4.16Å; G970-F1026 WeakPolarHBondContact O-CD2 3.41Å; S974-F1026 VanDerWaalsContact OG-CE2 3.25Å; S974-F1026 WeakPolarHBondContact OG-CE2 3.36Å; S974-F1026 WeakPolarHBondContact OG-CZ 3.34Å; H975-F1026 AromaticContact CD2-CE2 3.48Å; H975-F1026 WeakPolarHBondContact CD2-CE2 3.33Å; H975-F1026 AromaticContact CD2-CZ 3.88Å; H975-F1026 AromaticContact CE1-CD2 3.77Å; H975-F1026 AromaticContact CE1-CE2 3.55Å; H975-F1026 WeakPolarHBondContact CE1-CE2 3.43Å; H975-F1026 AromaticContact CE1-CZ 3.81Å; H975-F1026 VanDerWaalsContact CE1-CZ 3.47Å; H975-F1026 WeakPolarHBondContact CE1-CZ 3.41Å; H975-F1026 AromaticContact CG-CE2 3.93Å; H975-F1026 AromaticContact CG-CZ 3.93Å; H975-F1026 AromaticContact ND1-CE2 3.44Å; H975-F1026 WeakPolarHBondContact ND1-CE2 3.48Å; H975-F1026 AromaticContact ND1-CZ 3.33Å; H975-F1026 VanDerWaalsContact ND1-CZ 3.33Å; H975-F1026 WeakPolarHBondContact ND1-CZ 2.97Å; H975-F1026 AromaticContact NE2-CD2 3.61Å; H975-F1026 AromaticContact NE2-CE2 3.19Å; H975-F1026 WeakPolarHBondContact NE2-CE2 3.41Å; H975-F1026 AromaticContact NE2-CZ 3.83Å; I978-F1026 HydrophobicContact CD1-CE1 3.9Å; I978-F1026 HydrophobicContact CD1-CZ 4.13Å; V1022-F1026 WeakPolarHBondContact O-CB 3.37Å; V1022-F1026 PolarHBondContact O-N 3.12Å; H1023-F1026 PolarHBondContact O-N 3.31Å; L1024-F1026 VanDerWaalsContact C-N 3.31Å; L1024-F1026 PolarHBondContact O-N 3.19Å; F1026-E1028 VanDerWaalsContact C-N 3.35Å; F1026-E1028 PolarHBondContact O-N 3.44Å; F1026-A1029 PolarHBondContact O-N 3.19Å; F1026-H1030 HydrophobicContact CE1-CB 4.43Å; F1026-H1030 VanDerWaalsContact O-CB 3.28Å; F1026-H1030 WeakPolarHBondContact O-CB 3.41Å; F1026-H1030 PolarHBondContact O-N 3.25Å |
| 1027 | L | 86.2 | Confident | 84.2 | Confident | 2.4 Ų | 2.4 | 62.2 Ų | 62.2 | 1% | 0.013 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -39.1 | 179 | -149.2 | 151.1 | 0 | 0 | 0 | 111.7 | F963 V967 L1004 T1007 L1008 I1011 H1023 L1024 A1025 H1030 L1031 I1038 | F963-L1027 HydrophobicContact CE1-CD1 4.3Å; V967-L1027 HydrophobicContact CG1-CD1 4.42Å; V967-L1027 HydrophobicContact CG2-CD1 4.32Å; L1004-L1027 HydrophobicContact CD2-CD1 4.47Å; L1004-L1027 HydrophobicContact CD2-CD2 4.39Å; T1007-L1027 HydrophobicContact CG2-CD1 3.98Å; T1007-L1027 HydrophobicContact CG2-CD2 4.49Å; L1008-L1027 HydrophobicContact CD2-CD1 4.3Å; L1008-L1027 HydrophobicContact CD2-CD2 4.46Å; I1011-L1027 HydrophobicContact CD1-CD1 4.17Å; I1011-L1027 VanDerWaalsContact CD1-CD1 3.5Å; H1023-L1027 WeakPolarHBondContact O-CB 3.35Å; H1023-L1027 PolarHBondContact O-N 3.25Å; L1024-L1027 WeakPolarHBondContact O-CB 3.44Å; L1024-L1027 PolarHBondContact O-N 2.99Å; L1024-L1027 VanDerWaalsContact O-N 3.13Å; A1025-L1027 VanDerWaalsContact C-N 3.33Å; A1025-L1027 PolarHBondContact O-N 3.14Å; L1027-H1030 PolarHBondContact O-N 3.19Å; L1027-L1031 HydrophobicContact CD2-CD1 3.67Å; L1027-L1031 HydrophobicContact CD2-CG 4.42Å; L1027-L1031 HydrophobicContact CG-CD1 4.45Å; L1027-L1031 PolarHBondContact O-N 3.19Å; L1027-L1031 VanDerWaalsContact O-N 3.1Å; L1027-I1038 HydrophobicContact CD2-CB 4.42Å; L1027-I1038 HydrophobicContact CD2-CD1 3.4Å; L1027-I1038 VanDerWaalsContact CD2-CD1 3.45Å; L1027-I1038 HydrophobicContact CD2-CG1 4.39Å; L1027-I1038 HydrophobicContact CD2-CG2 4.07Å; L1027-I1038 HydrophobicContact CG-CD1 4.26Å |
| 1028 | E | 87.2 | Confident | 84.3 | Confident | 68 Ų | 68 | 55 Ų | 55 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 172.3 | -68.3 | -169.2 | 142.8 | 0 | 0 | 112.1 | L1024 A1025 F1026 H1030 N1032 M1033 S1034 I1035 | L1024-E1028 WeakPolarHBondContact O-CG 3.46Å; L1024-E1028 PolarHBondContact O-N 3.29Å; A1025-E1028 PolarHBondContact O-N 3.11Å; F1026-E1028 VanDerWaalsContact C-N 3.35Å; F1026-E1028 PolarHBondContact O-N 3.44Å; E1028-H1030 VanDerWaalsContact C-N 3.32Å; E1028-H1030 PolarHBondContact O-N 3.18Å; E1028-N1032 VanDerWaalsContact O-CA 3.26Å; E1028-N1032 WeakPolarHBondContact O-CA 3.42Å; E1028-N1032 PolarHBondContact O-N 3.17Å; E1028-M1033 VanDerWaalsContact CA-O 3.32Å; E1028-M1033 WeakPolarHBondContact CA-O 3.33Å; E1028-M1033 WeakPolarHBondContact CB-O 3.27Å; E1028-M1033 WeakPolarHBondContact CG-O 3.38Å; E1028-M1033 PolarHBondContact O-N 3.25Å; E1028-S1034 WeakPolarHBondContact OE1-CA 3.39Å; E1028-I1035 VanDerWaalsContact CD-CD1 3.46Å; E1028-I1035 HydrophobicContact CG-CD1 3.87Å; E1028-I1035 HydrophobicContact CG-CG1 3.45Å; E1028-I1035 VanDerWaalsContact CG-CG1 3.45Å; E1028-I1035 WeakPolarHBondContact OE1-CD1 3.33Å; E1028-I1035 VanDerWaalsContact OE1-CG1 3.25Å; E1028-I1035 WeakPolarHBondContact OE1-CG1 3.45Å; E1028-I1035 PolarHBondContact OE1-N 3.04Å |
| 1029 | A | 87.2 | Confident | 84.3 | Confident | 64.2 Ų | 64.2 | 48.8 Ų | 48.8 | 53% | 0.531 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | A1025 F1026 N1032 | A1025-A1029 WeakPolarHBondContact O-CB 3.28Å; A1025-A1029 PolarHBondContact O-N 3.21Å; F1026-A1029 PolarHBondContact O-N 3.19Å; A1029-N1032 PolarHBondContact O-OD1 3.18Å; A1029-N1032 VanDerWaalsContact O-OD1 3.13Å |
| 1030 | H | 86.4 | Confident | 84.1 | Confident | 10.6 Ų | 10.6 | 50.9 Ų | 50.9 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.7 | -43.1 | -179.2 | -173.2 | 80.8 | 0 | 0 | 0 | 112.7 | H975 I978 Y994 F1026 L1027 E1028 | H975-H1030 AromaticContact CE1-ND1 3.87Å; H975-H1030 AromaticContact CG-ND1 3.62Å; H975-H1030 WeakPolarHBondContact ND1-CB 3.34Å; H975-H1030 AromaticContact ND1-CE1 4Å; H975-H1030 AromaticContact ND1-CG 3.56Å; H975-H1030 AromaticContact ND1-ND1 2.93Å; H975-H1030 PolarHBondContact ND1-ND1 3.11Å; H975-H1030 PolarHBondContact O-CE1 3.13Å; I978-H1030 VanDerWaalsContact CG2-NE2 3.34Å; I978-H1030 WeakPolarHBondContact CG2-NE2 3.34Å; Y994-H1030 AromaticContact CE1-NE2 3.89Å; Y994-H1030 AromaticContact CZ-NE2 3.75Å; Y994-H1030 PolarHBondContact OH-CE1 2.98Å; Y994-H1030 PolarHBondContact OH-NE2 3.27Å; F1026-H1030 HydrophobicContact CE1-CB 4.43Å; F1026-H1030 VanDerWaalsContact O-CB 3.28Å; F1026-H1030 WeakPolarHBondContact O-CB 3.41Å; F1026-H1030 PolarHBondContact O-N 3.25Å; L1027-H1030 PolarHBondContact O-N 3.19Å; E1028-H1030 VanDerWaalsContact C-N 3.32Å; E1028-H1030 PolarHBondContact O-N 3.18Å |
| 1031 | L | 84.5 | Confident | 83.6 | Confident | 13.6 Ų | 13.6 | 52.7 Ų | 52.7 | 7% | 0.071 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -91 | -10.7 | -179.2 | -63.3 | 178.5 | 0 | 0 | 0 | 113.4 | Y994 I998 L1004 L1027 M1033 I1038 | Y994-L1031 HydrophobicContact CE1-CD2 4.31Å; I998-L1031 HydrophobicContact CD1-CD2 3.47Å; I998-L1031 VanDerWaalsContact CD1-CD2 3.46Å; L1004-L1031 HydrophobicContact CD1-CD1 4.43Å; L1004-L1031 HydrophobicContact CD2-CD1 3.9Å; L1027-L1031 HydrophobicContact CD2-CD1 3.67Å; L1027-L1031 HydrophobicContact CD2-CG 4.42Å; L1027-L1031 HydrophobicContact CG-CD1 4.45Å; L1027-L1031 PolarHBondContact O-N 3.19Å; L1027-L1031 VanDerWaalsContact O-N 3.1Å; L1031-M1033 VanDerWaalsContact C-N 3.25Å; L1031-M1033 HydrophobicContact CB-CB 4.34Å; L1031-M1033 HydrophobicContact CB-CE 4.18Å; L1031-M1033 HydrophobicContact CB-CG 4.02Å; L1031-M1033 HydrophobicContact CB-SD 4.15Å; L1031-M1033 WeakPolarHBondContact O-CG 3.43Å; L1031-M1033 PolarHBondContact O-N 3.13Å; L1031-I1038 HydrophobicContact CB-CD1 4.38Å; L1031-I1038 HydrophobicContact CD1-CD1 3.87Å; L1031-I1038 HydrophobicContact CD1-CG1 3.93Å; L1031-I1038 HydrophobicContact CD1-CG2 4.27Å |
| 1032 | N | 84.6 | Confident | 82.9 | Confident | 148.8 Ų | 148.8 | 50.5 Ų | 50.5 | 80% | 0.796 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 40.5 | -171.8 | -128.4 | 8 | 0 | 0 | 0 | 112.7 | E1028 A1029 | E1028-N1032 VanDerWaalsContact O-CA 3.26Å; E1028-N1032 WeakPolarHBondContact O-CA 3.42Å; E1028-N1032 PolarHBondContact O-N 3.17Å; A1029-N1032 PolarHBondContact O-OD1 3.18Å; A1029-N1032 VanDerWaalsContact O-OD1 3.13Å |
| 1033 | M | 85.1 | Confident | 82.3 | Confident | 20.2 Ų | 20.2 | 51.1 Ų | 51.1 | 10% | 0.1 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -142 | 145.2 | -177.4 | -52.7 | 178.3 | 70.6 | 0 | 0 | 109.4 | I995 E1028 L1031 R1037 I1038 L1041 | I995-M1033 HydrophobicContact CD1-CE 3.8Å; I995-M1033 HydrophobicContact CD1-SD 4.02Å; I995-M1033 HydrophobicContact CG1-CE 4.28Å; I995-M1033 HydrophobicContact CG2-CE 4.19Å; I995-M1033 HydrophobicContact CG2-SD 4.37Å; E1028-M1033 VanDerWaalsContact CA-O 3.32Å; E1028-M1033 WeakPolarHBondContact CA-O 3.33Å; E1028-M1033 WeakPolarHBondContact CB-O 3.27Å; E1028-M1033 WeakPolarHBondContact CG-O 3.38Å; E1028-M1033 PolarHBondContact O-N 3.25Å; L1031-M1033 VanDerWaalsContact C-N 3.25Å; L1031-M1033 HydrophobicContact CB-CB 4.34Å; L1031-M1033 HydrophobicContact CB-CE 4.18Å; L1031-M1033 HydrophobicContact CB-CG 4.02Å; L1031-M1033 HydrophobicContact CB-SD 4.15Å; L1031-M1033 WeakPolarHBondContact O-CG 3.43Å; L1031-M1033 PolarHBondContact O-N 3.13Å; M1033-R1037 HydrophobicContact CB-CB 4.36Å; M1033-R1037 HydrophobicContact CE-CB 4.03Å; M1033-R1037 VanDerWaalsContact CE-CD 3.44Å; M1033-R1037 HydrophobicContact CE-CG 3.41Å; M1033-R1037 VanDerWaalsContact CE-CG 3.42Å; M1033-R1037 HydrophobicContact SD-CG 4.4Å; M1033-I1038 HydrophobicContact CB-CD1 4.15Å; M1033-I1038 HydrophobicContact CB-CG1 3.86Å; M1033-I1038 HydrophobicContact CG-CD1 3.87Å; M1033-I1038 HydrophobicContact CG-CG1 3.42Å; M1033-I1038 VanDerWaalsContact CG-CG1 3.42Å; M1033-I1038 VanDerWaalsContact O-CD1 3.31Å; M1033-I1038 WeakPolarHBondContact O-CD1 3.34Å; M1033-I1038 HydrophobicContact SD-CB 4.45Å; M1033-I1038 HydrophobicContact SD-CD1 4.48Å; M1033-I1038 HydrophobicContact SD-CG1 3.48Å; M1033-I1038 WeakPolarHBondContact SD-CG1 3.45Å; M1033-L1041 HydrophobicContact CE-CD1 3.54Å; M1033-L1041 HydrophobicContact CE-CD2 4.05Å; M1033-L1041 HydrophobicContact CE-CG 4.14Å; M1033-L1041 HydrophobicContact SD-CD1 3.91Å; M1033-L1041 WeakPolarHBondContact SD-CD1 3.49Å; M1033-L1041 HydrophobicContact SD-CG 4.04Å |
| 1034 | S | 84.4 | Confident | 81.9 | Confident | 58.8 Ų | 58.8 | 52.2 Ų | 52.2 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | trans | -64.8 | 148.7 | 173.3 | 61 | 0 | 0 | 0 | 0 | 111.4 | E1028 E1036 R1037 I1038 | E1028-S1034 WeakPolarHBondContact OE1-CA 3.39Å; S1034-E1036 PolarHBondContact O-N 3.2Å; S1034-E1036 VanDerWaalsContact O-N 3.15Å; S1034-R1037 WeakPolarHBondContact O-CA 3.2Å; S1034-R1037 WeakPolarHBondContact O-CB 3.41Å; S1034-R1037 PolarHBondContact O-N 3.2Å; S1034-R1037 WeakPolarHBondContact OG-CB 3.46Å; S1034-R1037 PolarHBondContact OG-N 3.27Å; S1034-I1038 WeakPolarHBondContact O-CD1 3.38Å; S1034-I1038 WeakPolarHBondContact O-CG1 3.36Å; S1034-I1038 PolarHBondContact O-N 3.18Å | ||
| 1035 | I | 81.3 | Confident | 81.6 | Confident | 25.4 Ų | 25.4 | 53.1 Ų | 53.1 | 13% | 0.13 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.3 | -35.7 | 179.6 | -55.6 | 135.9 | 0 | 0 | 0 | 110.9 | L1008 L1024 E1028 R1037 I1038 A1039 W1068 | L1008-I1035 HydrophobicContact CD2-CG2 3.99Å; L1024-I1035 HydrophobicContact CB-CD1 3.69Å; L1024-I1035 HydrophobicContact CB-CG1 4.21Å; L1024-I1035 HydrophobicContact CD1-CD1 4.28Å; L1024-I1035 HydrophobicContact CD2-CD1 4.28Å; L1024-I1035 HydrophobicContact CD2-CG1 4.22Å; L1024-I1035 HydrophobicContact CD2-CG2 4.07Å; L1024-I1035 HydrophobicContact CG-CD1 4.31Å; E1028-I1035 VanDerWaalsContact CD-CD1 3.46Å; E1028-I1035 HydrophobicContact CG-CD1 3.87Å; E1028-I1035 HydrophobicContact CG-CG1 3.45Å; E1028-I1035 VanDerWaalsContact CG-CG1 3.45Å; E1028-I1035 WeakPolarHBondContact OE1-CD1 3.33Å; E1028-I1035 VanDerWaalsContact OE1-CG1 3.25Å; E1028-I1035 WeakPolarHBondContact OE1-CG1 3.45Å; E1028-I1035 PolarHBondContact OE1-N 3.04Å; I1035-R1037 VanDerWaalsContact C-N 3.32Å; I1035-R1037 PolarHBondContact O-N 3.11Å; I1035-I1038 WeakPolarHBondContact O-CB 3.35Å; I1035-I1038 PolarHBondContact O-N 3.18Å; I1035-I1038 VanDerWaalsContact O-N 3.17Å; I1035-A1039 WeakPolarHBondContact O-CB 3.43Å; I1035-A1039 PolarHBondContact O-N 3.26Å; I1035-W1068 HydrophobicContact CB-CZ2 4.15Å; I1035-W1068 HydrophobicContact CG2-CH2 3.52Å; I1035-W1068 VanDerWaalsContact CG2-CH2 3.47Å; I1035-W1068 HydrophobicContact CG2-CZ2 3.35Å; I1035-W1068 VanDerWaalsContact CG2-CZ2 3.4Å |
| 1036 | E | 79.5 | Confident | 81.3 | Confident | 90 Ų | 90 | 55.2 Ų | 55.2 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 176 | -61 | -172.5 | -176.2 | 0 | 0 | 112.7 | S1034 I1038 A1039 R1040 I1072 | S1034-E1036 PolarHBondContact O-N 3.2Å; S1034-E1036 VanDerWaalsContact O-N 3.15Å; E1036-I1038 VanDerWaalsContact C-N 3.34Å; E1036-A1039 PolarHBondContact O-N 3.23Å; E1036-R1040 VanDerWaalsContact O-CG 3.31Å; E1036-R1040 WeakPolarHBondContact O-CG 3.38Å; E1036-R1040 PolarHBondContact O-N 3.25Å; E1036-R1040 VanDerWaalsContact O-N 3.11Å; E1036-R1040 PolarHBondContact O-NH1 3.31Å; E1036-R1040 IonicContact OE2-CZ 3.27Å; E1036-R1040 IonicContact OE2-NH1 3.21Å; E1036-R1040 PolarHBondContact OE2-NH1 3.29Å; E1036-R1040 VanDerWaalsContact OE2-NH1 3.13Å; E1036-R1040 IonicContact OE2-NH2 3.28Å; E1036-R1040 PolarHBondContact OE2-NH2 3.11Å; E1036-I1072 HydrophobicContact CG-CG1 4.44Å |
| 1037 | R | 80.8 | Confident | 81.1 | Confident | 156.6 Ų | 156.6 | 54.5 Ų | 54.5 | 59% | 0.591 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70.4 | -37.8 | 177.1 | -165.9 | 175.4 | 174 | 179.6 | 0.1 | 110.5 | M1033 S1034 I1035 R1040 L1041 | M1033-R1037 HydrophobicContact CB-CB 4.36Å; M1033-R1037 HydrophobicContact CE-CB 4.03Å; M1033-R1037 VanDerWaalsContact CE-CD 3.44Å; M1033-R1037 HydrophobicContact CE-CG 3.41Å; M1033-R1037 VanDerWaalsContact CE-CG 3.42Å; M1033-R1037 HydrophobicContact SD-CG 4.4Å; S1034-R1037 WeakPolarHBondContact O-CA 3.2Å; S1034-R1037 WeakPolarHBondContact O-CB 3.41Å; S1034-R1037 PolarHBondContact O-N 3.2Å; S1034-R1037 WeakPolarHBondContact OG-CB 3.46Å; S1034-R1037 PolarHBondContact OG-N 3.27Å; I1035-R1037 VanDerWaalsContact C-N 3.32Å; I1035-R1037 PolarHBondContact O-N 3.11Å; R1037-R1040 CarbonylContact O-C 3.52Å; R1037-R1040 PolarHBondContact O-N 3.28Å; R1037-R1040 VanDerWaalsContact O-N 3.16Å; R1037-L1041 WeakPolarHBondContact O-CG 3.34Å; R1037-L1041 PolarHBondContact O-N 3.24Å; R1037-L1041 VanDerWaalsContact O-N 3.11Å |
| 1038 | I | 79.4 | Confident | 81 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 175.3 | -64.6 | 161 | 0 | 0 | 0 | 111 | L1004 L1027 L1031 M1033 S1034 I1035 E1036 R1040 L1041 N1042 | L1004-I1038 HydrophobicContact CB-CG2 4.43Å; L1004-I1038 HydrophobicContact CD1-CG2 4Å; L1004-I1038 HydrophobicContact CD2-CG2 4.19Å; L1004-I1038 HydrophobicContact CG-CG2 4.42Å; L1027-I1038 HydrophobicContact CD2-CB 4.42Å; L1027-I1038 HydrophobicContact CD2-CD1 3.4Å; L1027-I1038 VanDerWaalsContact CD2-CD1 3.45Å; L1027-I1038 HydrophobicContact CD2-CG1 4.39Å; L1027-I1038 HydrophobicContact CD2-CG2 4.07Å; L1027-I1038 HydrophobicContact CG-CD1 4.26Å; L1031-I1038 HydrophobicContact CB-CD1 4.38Å; L1031-I1038 HydrophobicContact CD1-CD1 3.87Å; L1031-I1038 HydrophobicContact CD1-CG1 3.93Å; L1031-I1038 HydrophobicContact CD1-CG2 4.27Å; M1033-I1038 HydrophobicContact CB-CD1 4.15Å; M1033-I1038 HydrophobicContact CB-CG1 3.86Å; M1033-I1038 HydrophobicContact CG-CD1 3.87Å; M1033-I1038 HydrophobicContact CG-CG1 3.42Å; M1033-I1038 VanDerWaalsContact CG-CG1 3.42Å; M1033-I1038 VanDerWaalsContact O-CD1 3.31Å; M1033-I1038 WeakPolarHBondContact O-CD1 3.34Å; M1033-I1038 HydrophobicContact SD-CB 4.45Å; M1033-I1038 HydrophobicContact SD-CD1 4.48Å; M1033-I1038 HydrophobicContact SD-CG1 3.48Å; M1033-I1038 WeakPolarHBondContact SD-CG1 3.45Å; S1034-I1038 WeakPolarHBondContact O-CD1 3.38Å; S1034-I1038 WeakPolarHBondContact O-CG1 3.36Å; S1034-I1038 PolarHBondContact O-N 3.18Å; I1035-I1038 WeakPolarHBondContact O-CB 3.35Å; I1035-I1038 PolarHBondContact O-N 3.18Å; I1035-I1038 VanDerWaalsContact O-N 3.17Å; E1036-I1038 VanDerWaalsContact C-N 3.34Å; I1038-R1040 VanDerWaalsContact C-N 3.25Å; I1038-R1040 PolarHBondContact O-N 3.11Å; I1038-L1041 WeakPolarHBondContact O-CB 3.45Å; I1038-L1041 PolarHBondContact O-N 3.26Å; I1038-N1042 PolarHBondContact O-ND2 3.31Å |
| 1039 | A | 78.8 | Confident | 81 | Confident | 3.4 Ų | 3.4 | 52.4 Ų | 52.4 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1008 I1035 E1036 L1041 N1042 L1047 W1068 I1072 | L1008-A1039 HydrophobicContact CD1-CB 4.25Å; I1035-A1039 WeakPolarHBondContact O-CB 3.43Å; I1035-A1039 PolarHBondContact O-N 3.26Å; E1036-A1039 PolarHBondContact O-N 3.23Å; A1039-L1041 VanDerWaalsContact C-N 3.28Å; A1039-L1041 PolarHBondContact O-N 3.16Å; A1039-N1042 PolarHBondContact O-N 2.98Å; A1039-L1047 HydrophobicContact CB-CD1 4.45Å; A1039-L1047 HydrophobicContact CB-CD2 4.14Å; A1039-W1068 HydrophobicContact CB-CH2 3.66Å; A1039-W1068 HydrophobicContact CB-CZ2 4.41Å; A1039-W1068 HydrophobicContact CB-CZ3 4.11Å; A1039-I1072 HydrophobicContact CB-CD1 4.08Å |
| 1040 | R | 78 | Confident | 80.9 | Confident | 120.6 Ų | 120.6 | 50.6 Ų | 50.6 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.6 | -21.3 | 178.1 | -70.3 | 177.6 | -172.4 | 118.7 | 2.3 | 113.5 | E1036 R1037 I1038 N1042 I1044 I1072 | E1036-R1040 VanDerWaalsContact O-CG 3.31Å; E1036-R1040 WeakPolarHBondContact O-CG 3.38Å; E1036-R1040 PolarHBondContact O-N 3.25Å; E1036-R1040 VanDerWaalsContact O-N 3.11Å; E1036-R1040 PolarHBondContact O-NH1 3.31Å; E1036-R1040 IonicContact OE2-CZ 3.27Å; E1036-R1040 IonicContact OE2-NH1 3.21Å; E1036-R1040 PolarHBondContact OE2-NH1 3.29Å; E1036-R1040 VanDerWaalsContact OE2-NH1 3.13Å; E1036-R1040 IonicContact OE2-NH2 3.28Å; E1036-R1040 PolarHBondContact OE2-NH2 3.11Å; R1037-R1040 CarbonylContact O-C 3.52Å; R1037-R1040 PolarHBondContact O-N 3.28Å; R1037-R1040 VanDerWaalsContact O-N 3.16Å; I1038-R1040 VanDerWaalsContact C-N 3.25Å; I1038-R1040 PolarHBondContact O-N 3.11Å; R1040-N1042 VanDerWaalsContact C-N 3.29Å; R1040-N1042 CarbonylContact C-O 3.43Å; R1040-N1042 PolarHBondContact O-N 3.46Å; R1040-I1044 HydrophobicContact CG-CD1 4.29Å; R1040-I1044 HydrophobicContact CG-CG1 4.46Å; R1040-I1072 HydrophobicContact CG-CG2 4.21Å; R1040-I1072 PolarHBondContact NH2-O 3.36Å |
| 1041 | L | 73.4 | Confident | 81 | Confident | 63.4 Ų | 63.4 | 50 Ų | 50 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70 | -34.3 | -179.9 | -77.4 | 179.1 | 0 | 0 | 0 | 113.8 | I995 V999 L1004 M1033 R1037 I1038 A1039 D1043 | I995-L1041 HydrophobicContact CG2-CD1 4.16Å; I995-L1041 HydrophobicContact CG2-CD2 4.46Å; V999-L1041 HydrophobicContact CG2-CB 4.31Å; V999-L1041 HydrophobicContact CG2-CD1 4.34Å; L1004-L1041 HydrophobicContact CD1-CB 4.29Å; L1004-L1041 HydrophobicContact CD1-CD1 4.04Å; M1033-L1041 HydrophobicContact CE-CD1 3.54Å; M1033-L1041 HydrophobicContact CE-CD2 4.05Å; M1033-L1041 HydrophobicContact CE-CG 4.14Å; M1033-L1041 HydrophobicContact SD-CD1 3.91Å; M1033-L1041 WeakPolarHBondContact SD-CD1 3.49Å; M1033-L1041 HydrophobicContact SD-CG 4.04Å; R1037-L1041 WeakPolarHBondContact O-CG 3.34Å; R1037-L1041 PolarHBondContact O-N 3.24Å; R1037-L1041 VanDerWaalsContact O-N 3.11Å; I1038-L1041 WeakPolarHBondContact O-CB 3.45Å; I1038-L1041 PolarHBondContact O-N 3.26Å; A1039-L1041 VanDerWaalsContact C-N 3.28Å; A1039-L1041 PolarHBondContact O-N 3.16Å; L1041-D1043 PolarHBondContact O-N 3.15Å |
| 1042 | N | 68.5 | Low | 81.1 | Confident | 16.4 Ų | 16.4 | 49.4 Ų | 49.4 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 27.1 | -172 | -70.8 | -49 | 0 | 0 | 0 | 114.2 | V999 C1002 L1004 P1005 I1038 A1039 R1040 I1044 | V999-N1042 PolarHBondContact O-OD1 3.27Å; C1002-N1042 WeakPolarHBondContact CA-ND2 3.13Å; L1004-N1042 WeakPolarHBondContact CB-ND2 3.34Å; L1004-N1042 WeakPolarHBondContact CD1-ND2 3.29Å; P1005-N1042 VanDerWaalsContact CD-ND2 3.31Å; P1005-N1042 WeakPolarHBondContact CD-ND2 3.26Å; P1005-N1042 HydrophobicContact CG-CB 3.77Å; I1038-N1042 PolarHBondContact O-ND2 3.31Å; A1039-N1042 PolarHBondContact O-N 2.98Å; R1040-N1042 VanDerWaalsContact C-N 3.29Å; R1040-N1042 CarbonylContact C-O 3.43Å; R1040-N1042 PolarHBondContact O-N 3.46Å; N1042-I1044 PolarHBondContact O-N 2.94Å; N1042-I1044 VanDerWaalsContact O-N 3.14Å |
| 1043 | D | 74.6 | Confident | 81.1 | Confident | 103 Ų | 103 | 43.2 Ų | 43.2 | 55% | 0.551 | 21% | 0.206 | S | C | * | . | trans | 50.4 | 113.8 | -170.3 | -170.8 | -4.7 | 0 | 0 | 0 | 112.2 | L1041 S1045 R1046 L1047 | L1041-D1043 PolarHBondContact O-N 3.15Å; D1043-S1045 VanDerWaalsContact C-N 3.27Å; D1043-S1045 PolarHBondContact O-N 3.36Å; D1043-S1045 VanDerWaalsContact O-N 3.09Å; D1043-S1045 WeakPolarHBondContact OD1-CB 3.25Å; D1043-S1045 PolarHBondContact OD1-N 3.11Å; D1043-S1045 PolarHBondContact OD1-OG 3.34Å; D1043-S1045 PolarHBondContact OD2-OG 3.42Å; D1043-R1046 HydrophobicContact CB-CB 4.47Å; D1043-R1046 WeakPolarHBondContact O-CB 3.49Å; D1043-R1046 PolarHBondContact O-N 3.1Å; D1043-L1047 PolarHBondContact O-N 3.15Å | ||
| 1044 | I | 77.8 | Confident | 81.1 | Confident | 41.2 Ų | 41.2 | 45.8 Ų | 45.8 | 21% | 0.211 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -28.8 | -178.5 | -54.2 | 172.5 | 0 | 0 | 0 | 111 | R1040 N1042 R1046 L1047 M1048 I1069 I1072 I1073 | R1040-I1044 HydrophobicContact CG-CD1 4.29Å; R1040-I1044 HydrophobicContact CG-CG1 4.46Å; N1042-I1044 PolarHBondContact O-N 2.94Å; N1042-I1044 VanDerWaalsContact O-N 3.14Å; I1044-R1046 VanDerWaalsContact C-N 3.32Å; I1044-R1046 PolarHBondContact O-N 3.14Å; I1044-L1047 PolarHBondContact O-N 3.24Å; I1044-M1048 HydrophobicContact CG2-CG 4.46Å; I1044-M1048 WeakPolarHBondContact O-CB 3.38Å; I1044-M1048 VanDerWaalsContact O-CG 3.26Å; I1044-M1048 WeakPolarHBondContact O-CG 3.49Å; I1044-M1048 PolarHBondContact O-N 3.01Å; I1044-I1069 HydrophobicContact CG2-CG2 3.55Å; I1044-I1069 VanDerWaalsContact CG2-CG2 3.43Å; I1044-I1072 HydrophobicContact CD1-CG2 4.49Å; I1044-I1073 HydrophobicContact CB-CD1 4.36Å; I1044-I1073 HydrophobicContact CD1-CD1 4.36Å; I1044-I1073 HydrophobicContact CD1-CG1 3.96Å; I1044-I1073 HydrophobicContact CG2-CD1 3.49Å; I1044-I1073 VanDerWaalsContact CG2-CD1 3.43Å; I1044-I1073 HydrophobicContact CG2-CG1 4.04Å |
| 1045 | S | 80.2 | Confident | 81 | Confident | 40.2 Ų | 40.2 | 43 Ų | 43 | 28% | 0.281 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 176.1 | 175 | 0 | 0 | 0 | 0 | 111.7 | D1043 L1047 M1048 H1049 | D1043-S1045 VanDerWaalsContact C-N 3.27Å; D1043-S1045 PolarHBondContact O-N 3.36Å; D1043-S1045 VanDerWaalsContact O-N 3.09Å; D1043-S1045 WeakPolarHBondContact OD1-CB 3.25Å; D1043-S1045 PolarHBondContact OD1-N 3.11Å; D1043-S1045 PolarHBondContact OD1-OG 3.34Å; D1043-S1045 PolarHBondContact OD2-OG 3.42Å; S1045-L1047 PolarHBondContact O-N 3.08Å; S1045-M1048 WeakPolarHBondContact O-CB 3.47Å; S1045-M1048 PolarHBondContact O-N 3.03Å; S1045-H1049 PolarHBondContact O-CD2 3.19Å; S1045-H1049 VanDerWaalsContact O-CD2 3.27Å; S1045-H1049 VanDerWaalsContact O-CG 3.25Å; S1045-H1049 PolarHBondContact O-N 3.11Å; S1045-H1049 PolarHBondContact O-ND1 2.99Å; S1045-H1049 VanDerWaalsContact O-ND1 3.16Å; S1045-H1049 PolarHBondContact OG-CE1 3.16Å; S1045-H1049 VanDerWaalsContact OG-CE1 3.26Å; S1045-H1049 PolarHBondContact OG-NE2 3.07Å |
| 1046 | R | 81 | Confident | 80.9 | Confident | 95 Ų | 95 | 45.9 Ų | 45.9 | 36% | 0.358 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.4 | -42.4 | 179.5 | -176 | 172.9 | 179.7 | 169.9 | -2.2 | 111.9 | C1002 P1005 D1043 I1044 M1048 H1049 Q1050 | C1002-R1046 VanDerWaalsContact CB-CZ 3.42Å; C1002-R1046 VanDerWaalsContact CB-NH1 3.25Å; C1002-R1046 VanDerWaalsContact CB-NH2 3.29Å; C1002-R1046 PolarHBondContact SG-NH1 3.25Å; P1005-R1046 HydrophobicContact CG-CG 4.49Å; D1043-R1046 HydrophobicContact CB-CB 4.47Å; D1043-R1046 WeakPolarHBondContact O-CB 3.49Å; D1043-R1046 PolarHBondContact O-N 3.1Å; I1044-R1046 VanDerWaalsContact C-N 3.32Å; I1044-R1046 PolarHBondContact O-N 3.14Å; R1046-M1048 VanDerWaalsContact C-N 3.33Å; R1046-M1048 PolarHBondContact O-N 3.44Å; R1046-H1049 PolarHBondContact O-N 3.12Å; R1046-Q1050 VanDerWaalsContact O-CG 3.31Å; R1046-Q1050 WeakPolarHBondContact O-CG 3.28Å; R1046-Q1050 PolarHBondContact O-N 3.11Å; R1046-Q1050 VanDerWaalsContact O-N 3.09Å |
| 1047 | L | 83.8 | Confident | 80.8 | Confident | 2.6 Ų | 2.6 | 45.1 Ų | 45.1 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 175.3 | -176.4 | 96.2 | 0 | 0 | 0 | 110.8 | P1005 L1008 V1009 A1039 D1043 I1044 S1045 H1049 Q1050 F1051 W1068 I1069 | P1005-L1047 HydrophobicContact CB-CB 4.41Å; P1005-L1047 HydrophobicContact CB-CD1 4.16Å; P1005-L1047 HydrophobicContact CB-CG 4.35Å; L1008-L1047 HydrophobicContact CB-CD1 4.06Å; L1008-L1047 HydrophobicContact CD1-CD1 3.76Å; L1008-L1047 HydrophobicContact CD1-CD2 4.39Å; L1008-L1047 HydrophobicContact CG-CD1 4.47Å; V1009-L1047 HydrophobicContact CG2-CD1 4.22Å; A1039-L1047 HydrophobicContact CB-CD1 4.45Å; A1039-L1047 HydrophobicContact CB-CD2 4.14Å; D1043-L1047 PolarHBondContact O-N 3.15Å; I1044-L1047 PolarHBondContact O-N 3.24Å; S1045-L1047 PolarHBondContact O-N 3.08Å; L1047-H1049 PolarHBondContact O-N 3.12Å; L1047-Q1050 PolarHBondContact O-N 3.31Å; L1047-F1051 HydrophobicContact CD1-CD2 4.37Å; L1047-F1051 HydrophobicContact CD1-CE2 3.99Å; L1047-F1051 HydrophobicContact CD2-CD2 3.74Å; L1047-F1051 HydrophobicContact CD2-CE2 4.05Å; L1047-F1051 HydrophobicContact CG-CD2 4.15Å; L1047-F1051 HydrophobicContact CG-CE2 3.86Å; L1047-F1051 VanDerWaalsContact O-CD2 3.25Å; L1047-F1051 WeakPolarHBondContact O-CD2 3.41Å; L1047-F1051 PolarHBondContact O-N 3.2Å; L1047-F1051 VanDerWaalsContact O-N 3.1Å; L1047-W1068 HydrophobicContact CD2-CZ3 4.03Å; L1047-I1069 HydrophobicContact CB-CD1 4.44Å; L1047-I1069 HydrophobicContact CD2-CD1 3.49Å; L1047-I1069 HydrophobicContact CD2-CG1 3.55Å; L1047-I1069 VanDerWaalsContact CD2-CG1 3.43Å; L1047-I1069 HydrophobicContact CG-CD1 3.86Å; L1047-I1069 HydrophobicContact CG-CG1 4.42Å |
| 1048 | M | 85.3 | Confident | 80.9 | Confident | 3.4 Ų | 3.4 | 41.4 Ų | 41.4 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | 174.7 | -167.9 | -164.7 | 56 | 0 | 0 | 112.2 | I1044 S1045 R1046 Q1050 F1051 I1052 L1066 I1069 F1092 L1093 Y1096 I1100 | I1044-M1048 HydrophobicContact CG2-CG 4.46Å; I1044-M1048 WeakPolarHBondContact O-CB 3.38Å; I1044-M1048 VanDerWaalsContact O-CG 3.26Å; I1044-M1048 WeakPolarHBondContact O-CG 3.49Å; I1044-M1048 PolarHBondContact O-N 3.01Å; S1045-M1048 WeakPolarHBondContact O-CB 3.47Å; S1045-M1048 PolarHBondContact O-N 3.03Å; R1046-M1048 VanDerWaalsContact C-N 3.33Å; R1046-M1048 PolarHBondContact O-N 3.44Å; M1048-Q1050 VanDerWaalsContact C-N 3.31Å; M1048-Q1050 PolarHBondContact O-N 3.17Å; M1048-F1051 PolarHBondContact O-N 3.06Å; M1048-I1052 HydrophobicContact CG-CD1 3.83Å; M1048-I1052 WeakPolarHBondContact O-CD1 3.48Å; M1048-I1052 VanDerWaalsContact O-CG1 3.29Å; M1048-I1052 WeakPolarHBondContact O-CG1 3.35Å; M1048-I1052 PolarHBondContact O-N 3.26Å; M1048-L1066 HydrophobicContact CB-CD2 4.48Å; M1048-L1066 HydrophobicContact CG-CD2 3.96Å; M1048-L1066 HydrophobicContact SD-CD2 3.99Å; M1048-I1069 HydrophobicContact CB-CD1 4.26Å; M1048-I1069 HydrophobicContact CG-CD1 3.84Å; M1048-I1069 HydrophobicContact CG-CG2 3.91Å; M1048-I1069 HydrophobicContact SD-CB 4.3Å; M1048-I1069 HydrophobicContact SD-CD1 3.93Å; M1048-I1069 HydrophobicContact SD-CG2 3.78Å; M1048-F1092 HydrophobicContact CE-CD1 4.38Å; M1048-F1092 HydrophobicContact CE-CE1 3.55Å; M1048-F1092 HydrophobicContact CE-CZ 3.85Å; M1048-F1092 HydrophobicContact SD-CE1 4.22Å; M1048-F1092 WeakPolarHBondContact SD-CE1 3.43Å; M1048-F1092 HydrophobicContact SD-CZ 3.91Å; M1048-L1093 HydrophobicContact CE-CD2 4.13Å; M1048-L1093 HydrophobicContact CG-CD2 4.4Å; M1048-L1093 HydrophobicContact SD-CD2 4.23Å; M1048-Y1096 VanDerWaalsContact CE-CB 3.48Å; M1048-Y1096 HydrophobicContact CE-CD1 4.13Å; M1048-Y1096 HydrophobicContact CE-CD2 4.15Å; M1048-Y1096 VanDerWaalsContact CE-CD2 3.41Å; M1048-Y1096 HydrophobicContact CE-CE2 4.02Å; M1048-Y1096 HydrophobicContact CE-CG 3.81Å; M1048-Y1096 HydrophobicContact SD-CD2 4.12Å; M1048-Y1096 HydrophobicContact SD-CG 4.03Å; M1048-I1100 HydrophobicContact CE-CD1 4.15Å; M1048-I1100 HydrophobicContact CE-CG1 3.95Å; M1048-I1100 HydrophobicContact SD-CD1 4.24Å; M1048-I1100 HydrophobicContact SD-CG1 4.4Å |
| 1049 | H | 87.1 | Confident | 81.1 | Confident | 22.4 Ų | 22.4 | 47.9 Ų | 47.9 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.3 | -42.1 | 177.5 | -63.5 | 156.4 | 0 | 0 | 0 | 112.3 | S1045 R1046 L1047 I1052 L1053 F1103 | S1045-H1049 PolarHBondContact O-CD2 3.19Å; S1045-H1049 VanDerWaalsContact O-CD2 3.27Å; S1045-H1049 VanDerWaalsContact O-CG 3.25Å; S1045-H1049 PolarHBondContact O-N 3.11Å; S1045-H1049 PolarHBondContact O-ND1 2.99Å; S1045-H1049 VanDerWaalsContact O-ND1 3.16Å; S1045-H1049 PolarHBondContact OG-CE1 3.16Å; S1045-H1049 VanDerWaalsContact OG-CE1 3.26Å; S1045-H1049 PolarHBondContact OG-NE2 3.07Å; R1046-H1049 PolarHBondContact O-N 3.12Å; L1047-H1049 PolarHBondContact O-N 3.12Å; H1049-I1052 PolarHBondContact O-N 3.24Å; H1049-L1053 PolarHBondContact O-N 2.98Å; H1049-F1103 HydrophobicContact CB-CB 4.45Å; H1049-F1103 HydrophobicContact CB-CD1 3.79Å; H1049-F1103 HydrophobicContact CB-CD2 4Å; H1049-F1103 HydrophobicContact CB-CE1 3.9Å; H1049-F1103 HydrophobicContact CB-CE2 4.1Å; H1049-F1103 HydrophobicContact CB-CG 3.83Å; H1049-F1103 HydrophobicContact CB-CZ 4.05Å; H1049-F1103 AromaticContact CG-CD2 3.96Å; H1049-F1103 AromaticContact CG-CG 3.76Å; H1049-F1103 AromaticContact ND1-CD2 3.72Å; H1049-F1103 AromaticContact ND1-CG 3.77Å |
| 1050 | Q | 84.8 | Confident | 81.3 | Confident | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | 178.4 | -70.6 | -83.1 | -8.5 | 0 | 0 | 112.6 | P1005 E1006 V1009 R1046 L1047 M1048 I1052 L1053 R1054 | P1005-Q1050 HydrophobicContact CB-CG 4.42Å; P1005-Q1050 PolarHBondContact O-OE1 3.14Å; E1006-Q1050 PolarHBondContact OE1-NE2 2.96Å; V1009-Q1050 HydrophobicContact CG2-CB 3.74Å; R1046-Q1050 VanDerWaalsContact O-CG 3.31Å; R1046-Q1050 WeakPolarHBondContact O-CG 3.28Å; R1046-Q1050 PolarHBondContact O-N 3.11Å; R1046-Q1050 VanDerWaalsContact O-N 3.09Å; L1047-Q1050 PolarHBondContact O-N 3.31Å; M1048-Q1050 VanDerWaalsContact C-N 3.31Å; M1048-Q1050 PolarHBondContact O-N 3.17Å; Q1050-I1052 VanDerWaalsContact C-N 3.3Å; Q1050-I1052 PolarHBondContact O-N 3.26Å; Q1050-L1053 PolarHBondContact O-N 3.17Å; Q1050-R1054 WeakPolarHBondContact O-CG 3.38Å; Q1050-R1054 PolarHBondContact O-N 3.15Å |
| 1051 | F | 87.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 172 | -83.6 | -65.7 | 0 | 0 | 0 | 112.5 | V1009 F1012 L1047 M1048 L1053 R1054 L1055 A1062 L1066 I1069 | V1009-F1051 HydrophobicContact CB-CD1 4.42Å; V1009-F1051 HydrophobicContact CB-CE1 4.22Å; V1009-F1051 HydrophobicContact CB-CZ 4.45Å; V1009-F1051 HydrophobicContact CG1-CD1 4.27Å; V1009-F1051 HydrophobicContact CG1-CE1 4.4Å; V1009-F1051 HydrophobicContact CG2-CD1 3.84Å; V1009-F1051 HydrophobicContact CG2-CD2 3.74Å; V1009-F1051 HydrophobicContact CG2-CE1 3.82Å; V1009-F1051 HydrophobicContact CG2-CE2 3.75Å; V1009-F1051 HydrophobicContact CG2-CG 3.8Å; V1009-F1051 HydrophobicContact CG2-CZ 3.79Å; F1012-F1051 HydrophobicContact CB-CE1 3.69Å; F1012-F1051 HydrophobicContact CB-CZ 4.1Å; F1012-F1051 HydrophobicContact CD2-CE1 4.2Å; F1012-F1051 AromaticContact CD2-CZ 3.7Å; F1012-F1051 HydrophobicContact CD2-CZ 3.7Å; F1012-F1051 HydrophobicContact CE2-CZ 4.43Å; F1012-F1051 HydrophobicContact CG-CE1 4.12Å; F1012-F1051 HydrophobicContact CG-CZ 4.08Å; L1047-F1051 HydrophobicContact CD1-CD2 4.37Å; L1047-F1051 HydrophobicContact CD1-CE2 3.99Å; L1047-F1051 HydrophobicContact CD2-CD2 3.74Å; L1047-F1051 HydrophobicContact CD2-CE2 4.05Å; L1047-F1051 HydrophobicContact CG-CD2 4.15Å; L1047-F1051 HydrophobicContact CG-CE2 3.86Å; L1047-F1051 VanDerWaalsContact O-CD2 3.25Å; L1047-F1051 WeakPolarHBondContact O-CD2 3.41Å; L1047-F1051 PolarHBondContact O-N 3.2Å; L1047-F1051 VanDerWaalsContact O-N 3.1Å; M1048-F1051 PolarHBondContact O-N 3.06Å; F1051-L1053 VanDerWaalsContact C-N 3.34Å; F1051-L1053 PolarHBondContact O-N 3.03Å; F1051-R1054 CarbonylContact O-C 3.51Å; F1051-R1054 PolarHBondContact O-N 3.06Å; F1051-R1054 VanDerWaalsContact O-N 3.13Å; F1051-L1055 PolarHBondContact O-N 3.18Å; F1051-A1062 HydrophobicContact CD1-CB 4.46Å; F1051-A1062 WeakPolarHBondContact O-CB 3.35Å; F1051-L1066 HydrophobicContact CB-CD1 4.5Å; F1051-L1066 HydrophobicContact CB-CD2 3.63Å; F1051-L1066 HydrophobicContact CB-CG 3.85Å; F1051-L1066 HydrophobicContact CG-CD2 4.41Å; F1051-L1066 HydrophobicContact CG-CG 4.45Å; F1051-I1069 HydrophobicContact CD2-CD1 3.44Å; F1051-I1069 VanDerWaalsContact CD2-CD1 3.44Å; F1051-I1069 HydrophobicContact CD2-CG1 4.45Å; F1051-I1069 HydrophobicContact CE2-CD1 3.75Å; F1051-I1069 HydrophobicContact CE2-CG1 4.34Å; F1051-I1069 HydrophobicContact CG-CD1 4.43Å |
| 1052 | I | 87.1 | Confident | 82 | Confident | 0.6 Ų | 0.6 | 44.8 Ų | 44.8 | 0% | 0.003 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 179.2 | -69.9 | 163.9 | 0 | 0 | 0 | 110.8 | M1048 H1049 Q1050 R1054 L1055 L1066 L1093 I1100 F1104 S1124 F1128 | M1048-I1052 HydrophobicContact CG-CD1 3.83Å; M1048-I1052 WeakPolarHBondContact O-CD1 3.48Å; M1048-I1052 VanDerWaalsContact O-CG1 3.29Å; M1048-I1052 WeakPolarHBondContact O-CG1 3.35Å; M1048-I1052 PolarHBondContact O-N 3.26Å; H1049-I1052 PolarHBondContact O-N 3.24Å; Q1050-I1052 VanDerWaalsContact C-N 3.3Å; Q1050-I1052 PolarHBondContact O-N 3.26Å; I1052-R1054 PolarHBondContact O-N 3.19Å; I1052-R1054 VanDerWaalsContact O-N 3.15Å; I1052-L1055 HydrophobicContact CG2-CD1 4.19Å; I1052-L1055 VanDerWaalsContact O-CB 3.26Å; I1052-L1055 WeakPolarHBondContact O-CB 3.28Å; I1052-L1055 VanDerWaalsContact O-CG 3.3Å; I1052-L1055 WeakPolarHBondContact O-CG 3.22Å; I1052-L1055 PolarHBondContact O-N 3.1Å; I1052-L1055 VanDerWaalsContact O-N 3.13Å; I1052-L1066 HydrophobicContact CG1-CD1 4.21Å; I1052-L1066 HydrophobicContact CG1-CD2 4.16Å; I1052-L1093 HydrophobicContact CD1-CD2 4.38Å; I1052-I1100 HydrophobicContact CD1-CB 4.23Å; I1052-I1100 HydrophobicContact CD1-CD1 3.39Å; I1052-I1100 VanDerWaalsContact CD1-CD1 3.42Å; I1052-I1100 HydrophobicContact CD1-CG1 3.49Å; I1052-I1100 VanDerWaalsContact CD1-CG1 3.47Å; I1052-I1100 HydrophobicContact CD1-CG2 3.7Å; I1052-I1100 HydrophobicContact CG2-CG2 3.99Å; I1052-F1104 HydrophobicContact CG2-CE2 3.58Å; I1052-F1104 HydrophobicContact CG2-CZ 3.48Å; I1052-F1104 VanDerWaalsContact CG2-CZ 3.46Å; I1052-S1124 VanDerWaalsContact O-CB 3.31Å; I1052-S1124 WeakPolarHBondContact O-CB 3.33Å; I1052-F1128 HydrophobicContact CD1-CE2 4.28Å; I1052-F1128 HydrophobicContact CG2-CB 4.49Å; I1052-F1128 HydrophobicContact CG2-CD2 4.19Å; I1052-F1128 HydrophobicContact CG2-CG 4.39Å |
| 1053 | L | 84.8 | Confident | 82.8 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.3 | -30.3 | 174.2 | -74.3 | 179.7 | 0 | 0 | 0 | 113.5 | H1049 Q1050 F1051 F1103 F1104 M1107 A1121 S1124 | H1049-L1053 PolarHBondContact O-N 2.98Å; Q1050-L1053 PolarHBondContact O-N 3.17Å; F1051-L1053 VanDerWaalsContact C-N 3.34Å; F1051-L1053 PolarHBondContact O-N 3.03Å; L1053-F1103 HydrophobicContact CD1-CE1 3.47Å; L1053-F1103 VanDerWaalsContact CD1-CE1 3.49Å; L1053-F1103 HydrophobicContact CD1-CZ 3.56Å; L1053-F1103 HydrophobicContact CD2-CE1 3.81Å; L1053-F1103 HydrophobicContact CG-CD1 4.45Å; L1053-F1103 HydrophobicContact CG-CE1 3.54Å; L1053-F1103 HydrophobicContact CG-CZ 4.16Å; L1053-F1104 HydrophobicContact CD2-CD1 4.3Å; L1053-F1104 HydrophobicContact CD2-CE1 4.07Å; L1053-M1107 HydrophobicContact CD1-CE 4.29Å; L1053-M1107 HydrophobicContact CD2-CG 4.48Å; L1053-A1121 HydrophobicContact CD2-CB 3.74Å; L1053-S1124 VanDerWaalsContact O-CB 3.28Å; L1053-S1124 WeakPolarHBondContact O-CB 3.45Å; L1053-S1124 PolarHBondContact O-OG 3.14Å |
| 1054 | R | 84.3 | Confident | 83.1 | Confident | 73.2 Ų | 73.2 | 42.6 Ų | 42.6 | 28% | 0.276 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 6.2 | -178.9 | -56.9 | -54.3 | -177.5 | 172.5 | 2.4 | 114.2 | V1009 T1013 Q1050 F1051 I1052 Y1056 Y1058 | V1009-R1054 HydrophobicContact CG1-CB 4.19Å; V1009-R1054 HydrophobicContact CG1-CG 3.56Å; T1013-R1054 HydrophobicContact CG2-CB 4.06Å; Q1050-R1054 WeakPolarHBondContact O-CG 3.38Å; Q1050-R1054 PolarHBondContact O-N 3.15Å; F1051-R1054 CarbonylContact O-C 3.51Å; F1051-R1054 PolarHBondContact O-N 3.06Å; F1051-R1054 VanDerWaalsContact O-N 3.13Å; I1052-R1054 PolarHBondContact O-N 3.19Å; I1052-R1054 VanDerWaalsContact O-N 3.15Å; R1054-Y1056 CarbonylContact O-C 3.56Å; R1054-Y1056 PolarHBondContact O-N 3.3Å; R1054-Y1056 VanDerWaalsContact O-N 3.13Å; R1054-Y1058 CarbonylContact O-C 3.46Å; R1054-Y1058 PolarHBondContact O-N 3.34Å; R1054-Y1058 VanDerWaalsContact O-N 3.15Å |
| 1055 | L | 83.8 | Confident | 83.4 | Confident | 1.6 Ų | 1.6 | 40.6 Ų | 40.6 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -31.9 | 169.6 | -76.5 | 171.6 | 0 | 0 | 0 | 111.9 | F1051 I1052 R1059 A1062 L1066 V1127 F1128 L1131 | F1051-L1055 PolarHBondContact O-N 3.18Å; I1052-L1055 HydrophobicContact CG2-CD1 4.19Å; I1052-L1055 VanDerWaalsContact O-CB 3.26Å; I1052-L1055 WeakPolarHBondContact O-CB 3.28Å; I1052-L1055 VanDerWaalsContact O-CG 3.3Å; I1052-L1055 WeakPolarHBondContact O-CG 3.22Å; I1052-L1055 PolarHBondContact O-N 3.1Å; I1052-L1055 VanDerWaalsContact O-N 3.13Å; L1055-R1059 WeakPolarHBondContact O-CA 3.37Å; L1055-R1059 VanDerWaalsContact O-CB 3.32Å; L1055-R1059 WeakPolarHBondContact O-CB 3.43Å; L1055-R1059 PolarHBondContact O-N 3.12Å; L1055-R1059 VanDerWaalsContact O-N 3.1Å; L1055-A1062 HydrophobicContact CD2-CB 3.97Å; L1055-A1062 HydrophobicContact CG-CB 4.4Å; L1055-L1066 HydrophobicContact CD2-CD1 4.4Å; L1055-V1127 HydrophobicContact CB-CB 4.24Å; L1055-V1127 HydrophobicContact CB-CG1 4.08Å; L1055-V1127 HydrophobicContact CD1-CG1 4.48Å; L1055-V1127 HydrophobicContact CD2-CG1 4.4Å; L1055-F1128 HydrophobicContact CD1-CB 3.93Å; L1055-F1128 HydrophobicContact CD1-CD2 4.31Å; L1055-L1131 HydrophobicContact CD1-CD1 3.85Å; L1055-L1131 HydrophobicContact CD2-CD1 4.23Å; L1055-L1131 HydrophobicContact CG-CD1 4.35Å |
| 1056 | Y | 79.6 | Confident | 83.7 | Confident | 84.4 Ų | 84.4 | 38.7 Ų | 38.7 | 33% | 0.331 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 129 | 162.9 | -174.8 | -91.3 | 0 | 0 | 0 | 109.5 | R1054 S1120 R1123 S1124 | R1054-Y1056 CarbonylContact O-C 3.56Å; R1054-Y1056 PolarHBondContact O-N 3.3Å; R1054-Y1056 VanDerWaalsContact O-N 3.13Å; Y1056-S1120 PolarHBondContact O-OG 3.06Å; Y1056-R1123 HydrophobicContact CD1-CB 3.65Å; Y1056-R1123 VanDerWaalsContact CD1-CD 3.48Å; Y1056-R1123 HydrophobicContact CD1-CG 4.25Å; Y1056-R1123 HydrophobicContact CD2-CB 4.09Å; Y1056-R1123 HydrophobicContact CE1-CB 4.27Å; Y1056-R1123 HydrophobicContact CE1-CG 4.39Å; Y1056-R1123 HydrophobicContact CG-CB 3.55Å; Y1056-R1123 VanDerWaalsContact CG-CB 3.45Å; Y1056-R1123 HydrophobicContact CG-CG 4.42Å; Y1056-R1123 VanDerWaalsContact CZ-CD 3.44Å; Y1056-R1123 PolarHBondContact OH-NH1 3.21Å; Y1056-R1123 VanDerWaalsContact OH-NH1 3.12Å; Y1056-S1124 WeakPolarHBondContact CB-OG 3.38Å; Y1056-S1124 PolarHBondContact N-OG 3.34Å; Y1056-S1124 PolarHBondContact O-OG 3.03Å |
| 1057 | P | 76 | Confident | 83.7 | Confident | 73.6 Ų | 73.6 | 38.7 Ų | 38.7 | 48% | 0.478 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -86 | -12.5 | 1.8 | 33.1 | -33.7 | 0 | 0 | 0 | 114.5 | R1059 | P1057-R1059 PolarHBondContact O-N 3.05Å; P1057-R1059 VanDerWaalsContact O-N 3.13Å |
| 1058 | Y | 83.6 | Confident | 83.6 | Confident | 80.4 Ų | 80.4 | 41 Ų | 41 | 32% | 0.315 | 19% | 0.191 | S | C | . | . | trans | -94 | 54.5 | -166 | -54.5 | -71.7 | 0 | 0 | 0 | 114.2 | T1013 R1014 R1054 V1060 G1061 A1062 | T1013-Y1058 VanDerWaalsContact O-CD1 3.3Å; T1013-Y1058 WeakPolarHBondContact O-CD1 3.37Å; R1014-Y1058 HydrophobicContact CG-CE1 4.18Å; R1014-Y1058 HydrophobicContact CG-CE2 4.02Å; R1014-Y1058 PolarHBondContact NE-OH 3.33Å; R1014-Y1058 PolarHBondContact NH2-OH 3.03Å; R1054-Y1058 CarbonylContact O-C 3.46Å; R1054-Y1058 PolarHBondContact O-N 3.34Å; R1054-Y1058 VanDerWaalsContact O-N 3.15Å; Y1058-V1060 VanDerWaalsContact C-N 3.3Å; Y1058-V1060 PolarHBondContact O-N 3.19Å; Y1058-V1060 VanDerWaalsContact O-N 3.13Å; Y1058-G1061 PolarHBondContact O-N 3.11Å; Y1058-A1062 WeakPolarHBondContact O-CB 3.26Å; Y1058-A1062 PolarHBondContact O-N 3.26Å | ||
| 1059 | R | 83.1 | Confident | 83.5 | Confident | 135.6 Ų | 135.6 | 40.9 Ų | 40.9 | 51% | 0.512 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -49.7 | -46.1 | -174 | -173.8 | 179.4 | 179.2 | -171.3 | 0.7 | 113.9 | L1055 P1057 C1063 V1127 | L1055-R1059 WeakPolarHBondContact O-CA 3.37Å; L1055-R1059 VanDerWaalsContact O-CB 3.32Å; L1055-R1059 WeakPolarHBondContact O-CB 3.43Å; L1055-R1059 PolarHBondContact O-N 3.12Å; L1055-R1059 VanDerWaalsContact O-N 3.1Å; P1057-R1059 PolarHBondContact O-N 3.05Å; P1057-R1059 VanDerWaalsContact O-N 3.13Å; R1059-C1063 VanDerWaalsContact O-CB 3.32Å; R1059-C1063 WeakPolarHBondContact O-CB 3.39Å; R1059-C1063 PolarHBondContact O-N 3.18Å; R1059-C1063 PolarHBondContact O-SG 3.26Å; R1059-V1127 HydrophobicContact CG-CG1 4.11Å |
| 1060 | V | 82.4 | Confident | 83.1 | Confident | 112 Ų | 112 | 40.4 Ų | 40.4 | 68% | 0.679 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -67 | -50.7 | -175.7 | -179.4 | 0 | 0 | 0 | 0 | 111 | Y1058 A1062 C1063 L1064 | Y1058-V1060 VanDerWaalsContact C-N 3.3Å; Y1058-V1060 PolarHBondContact O-N 3.19Å; Y1058-V1060 VanDerWaalsContact O-N 3.13Å; V1060-A1062 PolarHBondContact O-N 3.23Å; V1060-C1063 PolarHBondContact O-N 3.21Å; V1060-L1064 HydrophobicContact CG1-CD1 4.31Å; V1060-L1064 WeakPolarHBondContact O-CG 3.33Å; V1060-L1064 PolarHBondContact O-N 3.17Å |
| 1061 | G | 82.1 | Confident | 82.8 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -42.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1012 Y1058 C1063 L1064 G1065 | F1012-G1061 VanDerWaalsContact O-CA 3.28Å; F1012-G1061 WeakPolarHBondContact O-CA 3.44Å; Y1058-G1061 PolarHBondContact O-N 3.11Å; G1061-C1063 PolarHBondContact O-N 3.03Å; G1061-L1064 PolarHBondContact O-N 3.05Å; G1061-G1065 PolarHBondContact O-N 2.98Å |
| 1062 | A | 85.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1013 F1051 L1055 Y1058 V1060 L1064 G1065 L1066 | T1013-A1062 HydrophobicContact CG2-CB 4.39Å; F1051-A1062 HydrophobicContact CD1-CB 4.46Å; F1051-A1062 WeakPolarHBondContact O-CB 3.35Å; L1055-A1062 HydrophobicContact CD2-CB 3.97Å; L1055-A1062 HydrophobicContact CG-CB 4.4Å; Y1058-A1062 WeakPolarHBondContact O-CB 3.26Å; Y1058-A1062 PolarHBondContact O-N 3.26Å; V1060-A1062 PolarHBondContact O-N 3.23Å; A1062-L1064 VanDerWaalsContact C-N 3.33Å; A1062-L1064 PolarHBondContact O-N 3.13Å; A1062-G1065 PolarHBondContact O-N 3.21Å; A1062-L1066 WeakPolarHBondContact O-CG 3.38Å; A1062-L1066 PolarHBondContact O-N 3.35Å |
| 1063 | C | 84.8 | Confident | 81.5 | Confident | 13.8 Ų | 13.8 | 45.1 Ų | 45.1 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -35.5 | 175.7 | -71.1 | 0 | 0 | 0 | 0 | 112.7 | R1059 V1060 G1061 R1067 L1131 | R1059-C1063 VanDerWaalsContact O-CB 3.32Å; R1059-C1063 WeakPolarHBondContact O-CB 3.39Å; R1059-C1063 PolarHBondContact O-N 3.18Å; R1059-C1063 PolarHBondContact O-SG 3.26Å; V1060-C1063 PolarHBondContact O-N 3.21Å; G1061-C1063 PolarHBondContact O-N 3.03Å; C1063-R1067 WeakPolarHBondContact O-CB 3.44Å; C1063-R1067 VanDerWaalsContact O-CG 3.3Å; C1063-R1067 WeakPolarHBondContact O-CG 3.34Å; C1063-R1067 PolarHBondContact O-N 3.1Å; C1063-R1067 VanDerWaalsContact O-N 3.07Å; C1063-L1131 VanDerWaalsContact SG-CD1 3.55Å |
| 1064 | L | 82 | Confident | 80.6 | Confident | 59.2 Ų | 59.2 | 47 Ų | 47 | 31% | 0.31 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 173.9 | -70.7 | 172 | 0 | 0 | 0 | 111 | V1060 G1061 A1062 R1067 W1068 | V1060-L1064 HydrophobicContact CG1-CD1 4.31Å; V1060-L1064 WeakPolarHBondContact O-CG 3.33Å; V1060-L1064 PolarHBondContact O-N 3.17Å; G1061-L1064 PolarHBondContact O-N 3.05Å; A1062-L1064 VanDerWaalsContact C-N 3.33Å; A1062-L1064 PolarHBondContact O-N 3.13Å; L1064-R1067 PolarHBondContact O-N 3.24Å; L1064-W1068 WeakPolarHBondContact O-CB 3.35Å; L1064-W1068 PolarHBondContact O-N 3.2Å |
| 1065 | G | 83.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1061 A1062 R1067 W1068 I1069 | G1061-G1065 PolarHBondContact O-N 2.98Å; A1062-G1065 PolarHBondContact O-N 3.21Å; G1065-R1067 VanDerWaalsContact C-N 3.34Å; G1065-R1067 PolarHBondContact O-N 3.11Å; G1065-W1068 WeakPolarHBondContact O-CB 3.38Å; G1065-W1068 PolarHBondContact O-N 3.21Å; G1065-W1068 VanDerWaalsContact O-N 3.14Å; G1065-I1069 WeakPolarHBondContact O-CG1 3.37Å; G1065-I1069 PolarHBondContact O-N 3.28Å |
| 1066 | L | 85.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 176.5 | -68.9 | 171.8 | 0 | 0 | 0 | 112.8 | M1048 F1051 I1052 L1055 A1062 W1068 I1069 S1070 L1089 L1093 | M1048-L1066 HydrophobicContact CB-CD2 4.48Å; M1048-L1066 HydrophobicContact CG-CD2 3.96Å; M1048-L1066 HydrophobicContact SD-CD2 3.99Å; F1051-L1066 HydrophobicContact CB-CD1 4.5Å; F1051-L1066 HydrophobicContact CB-CD2 3.63Å; F1051-L1066 HydrophobicContact CB-CG 3.85Å; F1051-L1066 HydrophobicContact CG-CD2 4.41Å; F1051-L1066 HydrophobicContact CG-CG 4.45Å; I1052-L1066 HydrophobicContact CG1-CD1 4.21Å; I1052-L1066 HydrophobicContact CG1-CD2 4.16Å; L1055-L1066 HydrophobicContact CD2-CD1 4.4Å; A1062-L1066 WeakPolarHBondContact O-CG 3.38Å; A1062-L1066 PolarHBondContact O-N 3.35Å; L1066-W1068 VanDerWaalsContact C-N 3.33Å; L1066-I1069 HydrophobicContact CD2-CD1 4.25Å; L1066-I1069 WeakPolarHBondContact O-CB 3.37Å; L1066-I1069 PolarHBondContact O-N 3.19Å; L1066-S1070 WeakPolarHBondContact O-CB 3.45Å; L1066-S1070 PolarHBondContact O-N 3.21Å; L1066-L1089 HydrophobicContact CB-CD1 3.94Å; L1066-L1093 HydrophobicContact CD1-CD1 4.35Å; L1066-L1093 HydrophobicContact CD1-CD2 4.47Å; L1066-L1093 HydrophobicContact CD2-CD2 4.32Å |
| 1067 | R | 82.5 | Confident | 75.9 | Confident | 94.8 Ų | 94.8 | 58.6 Ų | 58.6 | 36% | 0.358 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 172.7 | -75.5 | 176.8 | 179.4 | 138.7 | -0.9 | 111.8 | C1063 L1064 G1065 I1069 S1070 S1071 R1085 N1086 L1089 | C1063-R1067 WeakPolarHBondContact O-CB 3.44Å; C1063-R1067 VanDerWaalsContact O-CG 3.3Å; C1063-R1067 WeakPolarHBondContact O-CG 3.34Å; C1063-R1067 PolarHBondContact O-N 3.1Å; C1063-R1067 VanDerWaalsContact O-N 3.07Å; L1064-R1067 PolarHBondContact O-N 3.24Å; G1065-R1067 VanDerWaalsContact C-N 3.34Å; G1065-R1067 PolarHBondContact O-N 3.11Å; R1067-I1069 VanDerWaalsContact C-N 3.34Å; R1067-S1070 WeakPolarHBondContact O-CB 3.36Å; R1067-S1070 PolarHBondContact O-N 3.18Å; R1067-S1071 PolarHBondContact O-N 3.17Å; R1067-R1085 PolarHBondContact NH2-O 3.17Å; R1067-N1086 PolarHBondContact NH2-OD1 3.35Å; R1067-L1089 HydrophobicContact CG-CD1 4.29Å; R1067-L1089 HydrophobicContact CG-CD2 4.32Å |
| 1068 | W | 82 | Confident | 74.2 | Confident | 51.2 Ų | 51.2 | 58.4 Ų | 58.4 | 19% | 0.194 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 174.8 | 177 | 73.8 | 0 | 0 | 0 | 111.1 | L1008 F1012 I1035 A1039 L1047 L1064 G1065 L1066 S1070 S1071 I1072 | L1008-W1068 HydrophobicContact CD1-CH2 4.34Å; L1008-W1068 HydrophobicContact CD1-CZ3 4.4Å; F1012-W1068 HydrophobicContact CE1-CB 4.44Å; F1012-W1068 HydrophobicContact CE1-CG 4.48Å; F1012-W1068 HydrophobicContact CE2-CD2 4.19Å; F1012-W1068 AromaticContact CE2-CE3 3.83Å; F1012-W1068 HydrophobicContact CE2-CE3 3.94Å; F1012-W1068 HydrophobicContact CE2-CZ3 4.22Å; F1012-W1068 HydrophobicContact CZ-CB 4.32Å; F1012-W1068 AromaticContact CZ-CD2 3.8Å; F1012-W1068 HydrophobicContact CZ-CD2 3.84Å; F1012-W1068 AromaticContact CZ-CE3 3.83Å; F1012-W1068 HydrophobicContact CZ-CE3 4.05Å; F1012-W1068 AromaticContact CZ-CG 3.92Å; F1012-W1068 HydrophobicContact CZ-CG 3.96Å; F1012-W1068 HydrophobicContact CZ-CZ3 4.44Å; I1035-W1068 HydrophobicContact CB-CZ2 4.15Å; I1035-W1068 HydrophobicContact CG2-CH2 3.52Å; I1035-W1068 VanDerWaalsContact CG2-CH2 3.47Å; I1035-W1068 HydrophobicContact CG2-CZ2 3.35Å; I1035-W1068 VanDerWaalsContact CG2-CZ2 3.4Å; A1039-W1068 HydrophobicContact CB-CH2 3.66Å; A1039-W1068 HydrophobicContact CB-CZ2 4.41Å; A1039-W1068 HydrophobicContact CB-CZ3 4.11Å; L1047-W1068 HydrophobicContact CD2-CZ3 4.03Å; L1064-W1068 WeakPolarHBondContact O-CB 3.35Å; L1064-W1068 PolarHBondContact O-N 3.2Å; G1065-W1068 WeakPolarHBondContact O-CB 3.38Å; G1065-W1068 PolarHBondContact O-N 3.21Å; G1065-W1068 VanDerWaalsContact O-N 3.14Å; L1066-W1068 VanDerWaalsContact C-N 3.33Å; W1068-S1070 VanDerWaalsContact C-N 3.35Å; W1068-S1070 PolarHBondContact O-N 3.06Å; W1068-S1071 WeakPolarHBondContact O-CB 3.26Å; W1068-S1071 PolarHBondContact O-N 3.17Å; W1068-S1071 VanDerWaalsContact O-N 3.14Å; W1068-S1071 PolarHBondContact O-OG 3.27Å; W1068-I1072 HydrophobicContact CD2-CD1 3.83Å; W1068-I1072 HydrophobicContact CE3-CD1 3.95Å; W1068-I1072 HydrophobicContact CH2-CD1 3.66Å; W1068-I1072 HydrophobicContact CZ2-CD1 3.51Å; W1068-I1072 VanDerWaalsContact CZ2-CD1 3.47Å; W1068-I1072 HydrophobicContact CZ3-CD1 3.87Å; W1068-I1072 WeakPolarHBondContact O-CG1 3.47Å; W1068-I1072 PolarHBondContact O-N 3.09Å; W1068-I1072 VanDerWaalsContact O-N 3.16Å |
| 1069 | I | 82.6 | Confident | 72.1 | Confident | 0.6 Ų | 0.6 | 64.4 Ų | 64.4 | 0% | 0.003 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 172.2 | -66.7 | 167.6 | 0 | 0 | 0 | 111.8 | I1044 L1047 M1048 F1051 G1065 L1066 R1067 S1071 I1072 I1073 F1092 | I1044-I1069 HydrophobicContact CG2-CG2 3.55Å; I1044-I1069 VanDerWaalsContact CG2-CG2 3.43Å; L1047-I1069 HydrophobicContact CB-CD1 4.44Å; L1047-I1069 HydrophobicContact CD2-CD1 3.49Å; L1047-I1069 HydrophobicContact CD2-CG1 3.55Å; L1047-I1069 VanDerWaalsContact CD2-CG1 3.43Å; L1047-I1069 HydrophobicContact CG-CD1 3.86Å; L1047-I1069 HydrophobicContact CG-CG1 4.42Å; M1048-I1069 HydrophobicContact CB-CD1 4.26Å; M1048-I1069 HydrophobicContact CG-CD1 3.84Å; M1048-I1069 HydrophobicContact CG-CG2 3.91Å; M1048-I1069 HydrophobicContact SD-CB 4.3Å; M1048-I1069 HydrophobicContact SD-CD1 3.93Å; M1048-I1069 HydrophobicContact SD-CG2 3.78Å; F1051-I1069 HydrophobicContact CD2-CD1 3.44Å; F1051-I1069 VanDerWaalsContact CD2-CD1 3.44Å; F1051-I1069 HydrophobicContact CD2-CG1 4.45Å; F1051-I1069 HydrophobicContact CE2-CD1 3.75Å; F1051-I1069 HydrophobicContact CE2-CG1 4.34Å; F1051-I1069 HydrophobicContact CG-CD1 4.43Å; G1065-I1069 WeakPolarHBondContact O-CG1 3.37Å; G1065-I1069 PolarHBondContact O-N 3.28Å; L1066-I1069 HydrophobicContact CD2-CD1 4.25Å; L1066-I1069 WeakPolarHBondContact O-CB 3.37Å; L1066-I1069 PolarHBondContact O-N 3.19Å; R1067-I1069 VanDerWaalsContact C-N 3.34Å; I1069-S1071 PolarHBondContact O-N 3.09Å; I1069-I1072 WeakPolarHBondContact O-CB 3.32Å; I1069-I1072 PolarHBondContact O-N 3.23Å; I1069-I1072 VanDerWaalsContact O-N 3.07Å; I1069-I1073 HydrophobicContact CG2-CD1 3.81Å; I1069-I1073 HydrophobicContact CG2-CG1 4.31Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.33Å; I1069-I1073 PolarHBondContact O-N 3.07Å; I1069-I1073 VanDerWaalsContact O-N 3.12Å; I1069-F1092 HydrophobicContact CG2-CE1 4.36Å; I1069-F1092 HydrophobicContact CG2-CZ 4.07Å |
| 1070 | S | 79.1 | Confident | 70.2 | Confident | 12.4 Ų | 12.4 | 63.9 Ų | 63.9 | 9% | 0.087 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.8 | -40.4 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | L1066 R1067 W1068 I1072 I1073 L1074 | L1066-S1070 WeakPolarHBondContact O-CB 3.45Å; L1066-S1070 PolarHBondContact O-N 3.21Å; R1067-S1070 WeakPolarHBondContact O-CB 3.36Å; R1067-S1070 PolarHBondContact O-N 3.18Å; W1068-S1070 VanDerWaalsContact C-N 3.35Å; W1068-S1070 PolarHBondContact O-N 3.06Å; S1070-I1072 VanDerWaalsContact C-N 3.31Å; S1070-I1072 PolarHBondContact O-N 3.18Å; S1070-I1073 PolarHBondContact O-N 3.03Å; S1070-L1074 WeakPolarHBondContact O-CB 3.32Å; S1070-L1074 VanDerWaalsContact O-CD1 3.23Å; S1070-L1074 WeakPolarHBondContact O-CD1 3.36Å; S1070-L1074 PolarHBondContact O-N 3.17Å; S1070-L1074 VanDerWaalsContact OG-CD1 3.26Å; S1070-L1074 WeakPolarHBondContact OG-CD1 3.34Å |
| 1071 | S | 77.9 | Confident | 68.1 | Low | 63.4 Ų | 63.4 | 64.9 Ų | 64.9 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.3 | -24.7 | 176.9 | 76.8 | 0 | 0 | 0 | 0 | 114.6 | R1067 W1068 I1069 P1075 | R1067-S1071 PolarHBondContact O-N 3.17Å; W1068-S1071 WeakPolarHBondContact O-CB 3.26Å; W1068-S1071 PolarHBondContact O-N 3.17Å; W1068-S1071 VanDerWaalsContact O-N 3.14Å; W1068-S1071 PolarHBondContact O-OG 3.27Å; I1069-S1071 PolarHBondContact O-N 3.09Å; S1071-P1075 WeakPolarHBondContact O-CD 3.23Å; S1071-P1075 WeakPolarHBondContact O-CG 3.5Å |
| 1072 | I | 75.2 | Confident | 66 | Low | 11.8 Ų | 11.8 | 69.8 Ų | 69.8 | 6% | 0.061 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -78.8 | -37.6 | 176.6 | -64.9 | 167.1 | 0 | 0 | 0 | 111.3 | E1036 A1039 R1040 I1044 W1068 I1069 S1070 P1075 | E1036-I1072 HydrophobicContact CG-CG1 4.44Å; A1039-I1072 HydrophobicContact CB-CD1 4.08Å; R1040-I1072 HydrophobicContact CG-CG2 4.21Å; R1040-I1072 PolarHBondContact NH2-O 3.36Å; I1044-I1072 HydrophobicContact CD1-CG2 4.49Å; W1068-I1072 HydrophobicContact CD2-CD1 3.83Å; W1068-I1072 HydrophobicContact CE3-CD1 3.95Å; W1068-I1072 HydrophobicContact CH2-CD1 3.66Å; W1068-I1072 HydrophobicContact CZ2-CD1 3.51Å; W1068-I1072 VanDerWaalsContact CZ2-CD1 3.47Å; W1068-I1072 HydrophobicContact CZ3-CD1 3.87Å; W1068-I1072 WeakPolarHBondContact O-CG1 3.47Å; W1068-I1072 PolarHBondContact O-N 3.09Å; W1068-I1072 VanDerWaalsContact O-N 3.16Å; I1069-I1072 WeakPolarHBondContact O-CB 3.32Å; I1069-I1072 PolarHBondContact O-N 3.23Å; I1069-I1072 VanDerWaalsContact O-N 3.07Å; S1070-I1072 VanDerWaalsContact C-N 3.31Å; S1070-I1072 PolarHBondContact O-N 3.18Å; I1072-P1075 VanDerWaalsContact O-CD 3.22Å; I1072-P1075 WeakPolarHBondContact O-CD 3.42Å |
| 1073 | I | 72.3 | Confident | 63.8 | Low | 49 Ų | 49 | 75.4 Ų | 75.4 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -84.2 | -39.5 | -176.5 | -60.4 | 175.9 | 0 | 0 | 0 | 111.8 | I1044 I1069 S1070 P1075 Q1076 I1077 F1092 | I1044-I1073 HydrophobicContact CB-CD1 4.36Å; I1044-I1073 HydrophobicContact CD1-CD1 4.36Å; I1044-I1073 HydrophobicContact CD1-CG1 3.96Å; I1044-I1073 HydrophobicContact CG2-CD1 3.49Å; I1044-I1073 VanDerWaalsContact CG2-CD1 3.43Å; I1044-I1073 HydrophobicContact CG2-CG1 4.04Å; I1069-I1073 HydrophobicContact CG2-CD1 3.81Å; I1069-I1073 HydrophobicContact CG2-CG1 4.31Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.33Å; I1069-I1073 PolarHBondContact O-N 3.07Å; I1069-I1073 VanDerWaalsContact O-N 3.12Å; S1070-I1073 PolarHBondContact O-N 3.03Å; I1073-P1075 VanDerWaalsContact C-N 3.31Å; I1073-P1075 WeakPolarHBondContact O-CD 3.47Å; I1073-Q1076 PolarHBondContact O-N 3.04Å; I1073-I1077 HydrophobicContact CG2-CD1 3.82Å; I1073-F1092 HydrophobicContact CB-CE2 4.18Å; I1073-F1092 HydrophobicContact CB-CZ 4.48Å; I1073-F1092 HydrophobicContact CD1-CE2 3.88Å; I1073-F1092 HydrophobicContact CD1-CZ 3.65Å; I1073-F1092 HydrophobicContact CG1-CZ 4.44Å; I1073-F1092 HydrophobicContact CG2-CE2 4.31Å |
| 1074 | L | 65.1 | Low | 61.9 | Low | 60 Ų | 60 | 76.4 Ų | 76.4 | 31% | 0.314 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -77.4 | 67 | -177.8 | -100 | 89.5 | 0 | 0 | 0 | 113.6 | S1070 Q1076 I1077 S1078 L1081 V1088 F1092 | S1070-L1074 WeakPolarHBondContact O-CB 3.32Å; S1070-L1074 VanDerWaalsContact O-CD1 3.23Å; S1070-L1074 WeakPolarHBondContact O-CD1 3.36Å; S1070-L1074 PolarHBondContact O-N 3.17Å; S1070-L1074 VanDerWaalsContact OG-CD1 3.26Å; S1070-L1074 WeakPolarHBondContact OG-CD1 3.34Å; L1074-Q1076 VanDerWaalsContact C-N 3.29Å; L1074-Q1076 PolarHBondContact O-N 3.16Å; L1074-Q1076 VanDerWaalsContact O-N 3.11Å; L1074-I1077 HydrophobicContact CD1-CB 4.33Å; L1074-I1077 PolarHBondContact O-N 3.28Å; L1074-S1078 WeakPolarHBondContact CD2-OG 3.41Å; L1074-S1078 WeakPolarHBondContact CG-OG 3.49Å; L1074-S1078 PolarHBondContact O-OG 3.39Å; L1074-L1081 HydrophobicContact CD2-CD1 4.42Å; L1074-V1088 HydrophobicContact CD2-CG1 4.4Å; L1074-F1092 HydrophobicContact CD1-CD2 3.74Å; L1074-F1092 HydrophobicContact CD1-CE2 4.07Å |
| 1075 | P | 54.8 | Low | 60.4 | Low | 97.8 Ų | 97.8 | 84.1 Ų | 84.1 | 64% | 0.635 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -63.2 | 3.9 | 174.7 | -3.9 | 8.2 | 0 | 0 | 0 | 113.5 | S1071 I1072 I1073 I1077 S1078 | S1071-P1075 WeakPolarHBondContact O-CD 3.23Å; S1071-P1075 WeakPolarHBondContact O-CG 3.5Å; I1072-P1075 VanDerWaalsContact O-CD 3.22Å; I1072-P1075 WeakPolarHBondContact O-CD 3.42Å; I1073-P1075 VanDerWaalsContact C-N 3.31Å; I1073-P1075 WeakPolarHBondContact O-CD 3.47Å; P1075-I1077 PolarHBondContact O-N 2.88Å; P1075-S1078 PolarHBondContact O-N 3.14Å; P1075-S1078 VanDerWaalsContact O-N 3.13Å |
| 1076 | Q | 49.4 | Very low | 59 | Low | 169.4 Ų | 169.4 | 89.7 Ų | 89.7 | 79% | 0.792 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -82.4 | -19 | -174.6 | -74.4 | -170.8 | -23.6 | 0 | 0 | 116 | I1073 L1074 S1078 R1079 | I1073-Q1076 PolarHBondContact O-N 3.04Å; L1074-Q1076 VanDerWaalsContact C-N 3.29Å; L1074-Q1076 PolarHBondContact O-N 3.16Å; L1074-Q1076 VanDerWaalsContact O-N 3.11Å; Q1076-S1078 PolarHBondContact O-N 3.02Å; Q1076-R1079 PolarHBondContact O-N 3.47Å |
| 1077 | I | 44.7 | Very low | 57.6 | Low | 135.6 Ų | 135.6 | 96.6 Ų | 96.6 | 70% | 0.695 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -93.2 | 16.9 | -175.9 | -56 | 172.9 | 0 | 0 | 0 | 111.3 | I1073 L1074 P1075 R1079 | I1073-I1077 HydrophobicContact CG2-CD1 3.82Å; L1074-I1077 HydrophobicContact CD1-CB 4.33Å; L1074-I1077 PolarHBondContact O-N 3.28Å; P1075-I1077 PolarHBondContact O-N 2.88Å; I1077-R1079 PolarHBondContact O-N 3.06Å |
| 1078 | S | 40.9 | Very low | 56.9 | Low | 68.4 Ų | 68.4 | 94.8 Ų | 94.8 | 48% | 0.478 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -60.5 | 64 | 173.6 | -58.9 | 0 | 0 | 0 | 0 | 116.7 | L1074 P1075 Q1076 T1080 L1081 | L1074-S1078 WeakPolarHBondContact CD2-OG 3.41Å; L1074-S1078 WeakPolarHBondContact CG-OG 3.49Å; L1074-S1078 PolarHBondContact O-OG 3.39Å; P1075-S1078 PolarHBondContact O-N 3.14Å; P1075-S1078 VanDerWaalsContact O-N 3.13Å; Q1076-S1078 PolarHBondContact O-N 3.02Å; S1078-T1080 VanDerWaalsContact C-N 3.29Å; S1078-T1080 PolarHBondContact O-N 2.98Å; S1078-L1081 PolarHBondContact O-N 3.33Å |
| 1079 | R | 39.5 | Very low | 56.7 | Low | 206.4 Ų | 206.4 | 92.8 Ų | 92.8 | 78% | 0.779 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -1.1 | 172.4 | -76.8 | -176.2 | 173.7 | 174 | -2.5 | 114.9 | Q1076 I1077 L1081 V1082 | Q1076-R1079 PolarHBondContact O-N 3.47Å; I1077-R1079 PolarHBondContact O-N 3.06Å; R1079-L1081 VanDerWaalsContact C-N 3.32Å; R1079-L1081 PolarHBondContact O-N 3.23Å; R1079-V1082 VanDerWaalsContact O-CG2 3.23Å; R1079-V1082 WeakPolarHBondContact O-CG2 3.26Å; R1079-V1082 PolarHBondContact O-N 2.83Å |
| 1080 | T | 42.2 | Very low | 56.5 | Low | 124.2 Ų | 124.2 | 93.3 Ų | 93.3 | 76% | 0.762 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -99.7 | -3.6 | -173.8 | 48.3 | 0 | 0 | 0 | 0 | 115.7 | S1078 | S1078-T1080 VanDerWaalsContact C-N 3.29Å; S1078-T1080 PolarHBondContact O-N 2.98Å |
| 1081 | L | 39.7 | Very low | 56.5 | Low | 133.8 Ų | 133.8 | 95.7 Ų | 95.7 | 70% | 0.701 | 51% | 0.51 | S | S | * | . | trans | -104.3 | 59.8 | 179.2 | -84.1 | 149.6 | 0 | 0 | 0 | 113.4 | L1074 S1078 R1079 S1083 G1084 | L1074-L1081 HydrophobicContact CD2-CD1 4.42Å; S1078-L1081 PolarHBondContact O-N 3.33Å; R1079-L1081 VanDerWaalsContact C-N 3.32Å; R1079-L1081 PolarHBondContact O-N 3.23Å; L1081-S1083 PolarHBondContact O-N 3.15Å; L1081-S1083 VanDerWaalsContact O-N 3.1Å; L1081-G1084 PolarHBondContact O-N 2.96Å | ||
| 1082 | V | 36.9 | Very low | 56.7 | Low | 113.8 Ų | 113.8 | 93.3 Ų | 93.3 | 69% | 0.69 | 49% | 0.491 | S | S | * | . | trans | -81.7 | 79 | -174.1 | 177 | 0 | 0 | 0 | 0 | 112.2 | R1079 G1084 | R1079-V1082 VanDerWaalsContact O-CG2 3.23Å; R1079-V1082 WeakPolarHBondContact O-CG2 3.26Å; R1079-V1082 PolarHBondContact O-N 2.83Å; V1082-G1084 VanDerWaalsContact C-N 3.28Å; V1082-G1084 PolarHBondContact O-N 3.17Å | ||
| 1083 | S | 40.2 | Very low | 57 | Low | 118.4 Ų | 118.4 | 92.8 Ų | 92.8 | 83% | 0.828 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 4.5 | 166.6 | -79.8 | 0 | 0 | 0 | 0 | 117.1 | L1081 R1085 | L1081-S1083 PolarHBondContact O-N 3.15Å; L1081-S1083 VanDerWaalsContact O-N 3.1Å; S1083-R1085 VanDerWaalsContact C-N 3.34Å; S1083-R1085 PolarHBondContact O-N 3.05Å |
| 1084 | G | 43.8 | Very low | 57.4 | Low | 35.2 Ų | 35.2 | 91.2 Ų | 91.2 | 36% | 0.363 | 48% | 0.484 | S | S | . | . | trans | -93.9 | 92.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1081 V1082 N1086 F1087 V1088 | L1081-G1084 PolarHBondContact O-N 2.96Å; V1082-G1084 VanDerWaalsContact C-N 3.28Å; V1082-G1084 PolarHBondContact O-N 3.17Å; G1084-N1086 VanDerWaalsContact C-N 3.29Å; G1084-N1086 PolarHBondContact O-N 3.06Å; G1084-N1086 VanDerWaalsContact O-N 3.1Å; G1084-F1087 PolarHBondContact O-N 3.27Å; G1084-V1088 WeakPolarHBondContact O-CG2 3.27Å; G1084-V1088 PolarHBondContact O-N 3.16Å | ||
| 1085 | R | 51.4 | Low | 58.1 | Low | 219.8 Ų | 219.8 | 95.4 Ų | 95.4 | 83% | 0.829 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -29.1 | -168.3 | -74.7 | -176.9 | 175.7 | -178.6 | -0.6 | 117.4 | R1067 S1083 | R1067-R1085 PolarHBondContact NH2-O 3.17Å; S1083-R1085 VanDerWaalsContact C-N 3.34Å; S1083-R1085 PolarHBondContact O-N 3.05Å |
| 1086 | N | 54 | Low | 59.4 | Low | 117.6 Ų | 117.6 | 94.8 Ų | 94.8 | 63% | 0.629 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | -31.5 | -178 | -71.3 | -12.1 | 0 | 0 | 0 | 113.7 | R1067 G1084 V1088 L1089 A1090 | R1067-N1086 PolarHBondContact NH2-OD1 3.35Å; G1084-N1086 VanDerWaalsContact C-N 3.29Å; G1084-N1086 PolarHBondContact O-N 3.06Å; G1084-N1086 VanDerWaalsContact O-N 3.1Å; N1086-V1088 PolarHBondContact O-N 3.25Å; N1086-L1089 PolarHBondContact O-N 3.14Å; N1086-A1090 PolarHBondContact O-N 3.12Å; N1086-A1090 VanDerWaalsContact O-N 3.16Å |
| 1087 | F | 54.8 | Low | 61.1 | Low | 145.6 Ų | 145.6 | 86.8 Ų | 86.8 | 64% | 0.639 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | -176.4 | -116.4 | -89.4 | 0 | 0 | 0 | 112.2 | G1084 L1089 A1090 D1091 | G1084-F1087 PolarHBondContact O-N 3.27Å; F1087-L1089 VanDerWaalsContact C-N 3.29Å; F1087-L1089 PolarHBondContact O-N 3.23Å; F1087-A1090 WeakPolarHBondContact O-CB 3.4Å; F1087-A1090 PolarHBondContact O-N 3.23Å; F1087-A1090 VanDerWaalsContact O-N 3.16Å; F1087-D1091 WeakPolarHBondContact CE1-OD2 3.06Å; F1087-D1091 PolarHBondContact O-N 3.19Å; F1087-D1091 VanDerWaalsContact O-N 3.12Å |
| 1088 | V | 68.1 | Low | 62.8 | Low | 56.2 Ų | 56.2 | 82.1 Ų | 82.1 | 34% | 0.341 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | -179.2 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | L1074 G1084 N1086 F1092 | L1074-V1088 HydrophobicContact CD2-CG1 4.4Å; G1084-V1088 WeakPolarHBondContact O-CG2 3.27Å; G1084-V1088 PolarHBondContact O-N 3.16Å; N1086-V1088 PolarHBondContact O-N 3.25Å; V1088-F1092 VanDerWaalsContact O-CB 3.24Å; V1088-F1092 WeakPolarHBondContact O-CB 3.36Å; V1088-F1092 PolarHBondContact O-N 3.28Å; V1088-F1092 VanDerWaalsContact O-N 3.11Å |
| 1089 | L | 77.3 | Confident | 64.7 | Low | 9.6 Ų | 9.6 | 80.5 Ų | 80.5 | 5% | 0.05 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -73.2 | -38.8 | 179.1 | -176 | 65.2 | 0 | 0 | 0 | 111.6 | L1066 R1067 N1086 F1087 D1091 F1092 L1093 L1131 | L1066-L1089 HydrophobicContact CB-CD1 3.94Å; R1067-L1089 HydrophobicContact CG-CD1 4.29Å; R1067-L1089 HydrophobicContact CG-CD2 4.32Å; N1086-L1089 PolarHBondContact O-N 3.14Å; F1087-L1089 VanDerWaalsContact C-N 3.29Å; F1087-L1089 PolarHBondContact O-N 3.23Å; L1089-D1091 VanDerWaalsContact C-N 3.35Å; L1089-F1092 HydrophobicContact CD1-CD1 4.34Å; L1089-F1092 PolarHBondContact O-N 3.16Å; L1089-L1093 HydrophobicContact CD1-CD1 4.19Å; L1089-L1093 HydrophobicContact CD1-CG 4.27Å; L1089-L1093 HydrophobicContact CD2-CD1 4.44Å; L1089-L1093 HydrophobicContact CG-CD1 3.92Å; L1089-L1093 HydrophobicContact CG-CG 4.4Å; L1089-L1093 WeakPolarHBondContact O-CB 3.34Å; L1089-L1093 VanDerWaalsContact O-CG 3.3Å; L1089-L1093 WeakPolarHBondContact O-CG 3.39Å; L1089-L1093 PolarHBondContact O-N 3.13Å; L1089-L1131 HydrophobicContact CD2-CD1 4.29Å; L1089-L1131 HydrophobicContact CD2-CD2 4.09Å; L1089-L1131 HydrophobicContact CD2-CG 4.48Å; L1089-L1131 HydrophobicContact CG-CD2 4.25Å |
| 1090 | A | 80 | Confident | 66.9 | Low | 10.8 Ų | 10.8 | 70.7 Ų | 70.7 | 9% | 0.089 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | N1086 F1087 L1093 G1094 L1131 | N1086-A1090 PolarHBondContact O-N 3.12Å; N1086-A1090 VanDerWaalsContact O-N 3.16Å; F1087-A1090 WeakPolarHBondContact O-CB 3.4Å; F1087-A1090 PolarHBondContact O-N 3.23Å; F1087-A1090 VanDerWaalsContact O-N 3.16Å; A1090-L1093 PolarHBondContact O-N 3.04Å; A1090-G1094 WeakPolarHBondContact O-CA 3.36Å; A1090-G1094 PolarHBondContact O-N 3.29Å; A1090-L1131 WeakPolarHBondContact CB-O 3.41Å |
| 1091 | D | 79.1 | Confident | 69.1 | Low | 62.2 Ų | 62.2 | 64.8 Ų | 64.8 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 176.9 | -67.9 | -24.7 | 0 | 0 | 0 | 112.3 | F1087 L1089 L1093 G1094 H1095 H1136 | F1087-D1091 WeakPolarHBondContact CE1-OD2 3.06Å; F1087-D1091 PolarHBondContact O-N 3.19Å; F1087-D1091 VanDerWaalsContact O-N 3.12Å; L1089-D1091 VanDerWaalsContact C-N 3.35Å; D1091-L1093 PolarHBondContact O-N 3.3Å; D1091-G1094 PolarHBondContact O-N 3.22Å; D1091-H1095 PolarHBondContact O-CE1 2.7Å; D1091-H1095 PolarHBondContact O-N 3.37Å; D1091-H1095 PolarHBondContact O-ND1 3.08Å; D1091-H1136 WeakPolarHBondContact CA-NE2 3.29Å; D1091-H1136 IonicContact OD1-CD2 3.14Å; D1091-H1136 IonicContact OD1-CE1 3.49Å; D1091-H1136 IonicContact OD1-NE2 3.17Å; D1091-H1136 PolarHBondContact OD1-NE2 3.13Å |
| 1092 | F | 80.3 | Confident | 71.1 | Confident | 14.4 Ų | 14.4 | 59.9 Ų | 59.9 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.1 | -50.4 | 174.9 | 172.6 | -102.2 | 0 | 0 | 0 | 111.6 | M1048 I1069 I1073 L1074 V1088 L1089 G1094 H1095 Y1096 | M1048-F1092 HydrophobicContact CE-CD1 4.38Å; M1048-F1092 HydrophobicContact CE-CE1 3.55Å; M1048-F1092 HydrophobicContact CE-CZ 3.85Å; M1048-F1092 HydrophobicContact SD-CE1 4.22Å; M1048-F1092 WeakPolarHBondContact SD-CE1 3.43Å; M1048-F1092 HydrophobicContact SD-CZ 3.91Å; I1069-F1092 HydrophobicContact CG2-CE1 4.36Å; I1069-F1092 HydrophobicContact CG2-CZ 4.07Å; I1073-F1092 HydrophobicContact CB-CE2 4.18Å; I1073-F1092 HydrophobicContact CB-CZ 4.48Å; I1073-F1092 HydrophobicContact CD1-CE2 3.88Å; I1073-F1092 HydrophobicContact CD1-CZ 3.65Å; I1073-F1092 HydrophobicContact CG1-CZ 4.44Å; I1073-F1092 HydrophobicContact CG2-CE2 4.31Å; L1074-F1092 HydrophobicContact CD1-CD2 3.74Å; L1074-F1092 HydrophobicContact CD1-CE2 4.07Å; V1088-F1092 VanDerWaalsContact O-CB 3.24Å; V1088-F1092 WeakPolarHBondContact O-CB 3.36Å; V1088-F1092 PolarHBondContact O-N 3.28Å; V1088-F1092 VanDerWaalsContact O-N 3.11Å; L1089-F1092 HydrophobicContact CD1-CD1 4.34Å; L1089-F1092 PolarHBondContact O-N 3.16Å; F1092-G1094 VanDerWaalsContact C-N 3.29Å; F1092-G1094 PolarHBondContact O-N 3.08Å; F1092-H1095 PolarHBondContact O-N 3.01Å; F1092-Y1096 HydrophobicContact CD2-CE2 4.21Å; F1092-Y1096 HydrophobicContact CE1-CE2 4.47Å; F1092-Y1096 HydrophobicContact CE2-CD2 4.42Å; F1092-Y1096 AromaticContact CE2-CE2 3.67Å; F1092-Y1096 HydrophobicContact CE2-CE2 3.67Å; F1092-Y1096 HydrophobicContact CZ-CD2 4.31Å; F1092-Y1096 AromaticContact CZ-CE2 3.85Å; F1092-Y1096 HydrophobicContact CZ-CE2 3.85Å; F1092-Y1096 VanDerWaalsContact O-CD2 3.3Å; F1092-Y1096 WeakPolarHBondContact O-CD2 3.36Å |
| 1093 | L | 83.2 | Confident | 73.4 | Confident | 0.2 Ų | 0.2 | 56.5 Ų | 56.5 | 0% | 0.001 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.4 | -31.1 | 178.5 | -68.3 | 171.1 | 0 | 0 | 0 | 112.3 | M1048 I1052 L1066 L1089 A1090 D1091 H1095 Y1096 V1097 I1100 F1128 L1131 L1132 | M1048-L1093 HydrophobicContact CE-CD2 4.13Å; M1048-L1093 HydrophobicContact CG-CD2 4.4Å; M1048-L1093 HydrophobicContact SD-CD2 4.23Å; I1052-L1093 HydrophobicContact CD1-CD2 4.38Å; L1066-L1093 HydrophobicContact CD1-CD1 4.35Å; L1066-L1093 HydrophobicContact CD1-CD2 4.47Å; L1066-L1093 HydrophobicContact CD2-CD2 4.32Å; L1089-L1093 HydrophobicContact CD1-CD1 4.19Å; L1089-L1093 HydrophobicContact CD1-CG 4.27Å; L1089-L1093 HydrophobicContact CD2-CD1 4.44Å; L1089-L1093 HydrophobicContact CG-CD1 3.92Å; L1089-L1093 HydrophobicContact CG-CG 4.4Å; L1089-L1093 WeakPolarHBondContact O-CB 3.34Å; L1089-L1093 VanDerWaalsContact O-CG 3.3Å; L1089-L1093 WeakPolarHBondContact O-CG 3.39Å; L1089-L1093 PolarHBondContact O-N 3.13Å; A1090-L1093 PolarHBondContact O-N 3.04Å; D1091-L1093 PolarHBondContact O-N 3.3Å; L1093-H1095 PolarHBondContact O-N 3.18Å; L1093-Y1096 CarbonylContact O-C 3.56Å; L1093-Y1096 PolarHBondContact O-N 3.11Å; L1093-V1097 VanDerWaalsContact O-CG2 3.3Å; L1093-V1097 WeakPolarHBondContact O-CG2 3.34Å; L1093-V1097 PolarHBondContact O-N 3.36Å; L1093-V1097 VanDerWaalsContact O-N 3.13Å; L1093-I1100 HydrophobicContact CD2-CD1 4.28Å; L1093-F1128 HydrophobicContact CB-CE2 4.48Å; L1093-F1128 HydrophobicContact CD1-CE2 4.36Å; L1093-L1131 HydrophobicContact CD1-CD2 3.17Å; L1093-L1132 HydrophobicContact CB-CD1 4.19Å; L1093-L1132 HydrophobicContact CB-CD2 3.97Å |
| 1094 | G | 79.8 | Confident | 75.7 | Confident | 15.8 Ų | 15.8 | 50.8 Ų | 50.8 | 16% | 0.163 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -50.5 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A1090 D1091 F1092 Y1096 V1097 | A1090-G1094 WeakPolarHBondContact O-CA 3.36Å; A1090-G1094 PolarHBondContact O-N 3.29Å; D1091-G1094 PolarHBondContact O-N 3.22Å; F1092-G1094 VanDerWaalsContact C-N 3.29Å; F1092-G1094 PolarHBondContact O-N 3.08Å; G1094-Y1096 VanDerWaalsContact C-N 3.29Å; G1094-Y1096 PolarHBondContact O-N 3.08Å; G1094-V1097 WeakPolarHBondContact O-CG2 3.4Å |
| 1095 | H | 80 | Confident | 77.7 | Confident | 148.4 Ų | 148.4 | 49.7 Ų | 49.7 | 69% | 0.687 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -22.4 | 178.4 | -80.4 | 79.3 | 0 | 0 | 0 | 113.6 | D1091 F1092 L1093 | D1091-H1095 PolarHBondContact O-CE1 2.7Å; D1091-H1095 PolarHBondContact O-N 3.37Å; D1091-H1095 PolarHBondContact O-ND1 3.08Å; F1092-H1095 PolarHBondContact O-N 3.01Å; L1093-H1095 PolarHBondContact O-N 3.18Å |
| 1096 | Y | 82.4 | Confident | 79.2 | Confident | 84.2 Ų | 84.2 | 44 Ų | 44 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 5.8 | -176 | -60.6 | -80.3 | 0 | 0 | 0 | 114 | M1048 F1092 L1093 G1094 C1098 G1099 I1100 | M1048-Y1096 VanDerWaalsContact CE-CB 3.48Å; M1048-Y1096 HydrophobicContact CE-CD1 4.13Å; M1048-Y1096 HydrophobicContact CE-CD2 4.15Å; M1048-Y1096 VanDerWaalsContact CE-CD2 3.41Å; M1048-Y1096 HydrophobicContact CE-CE2 4.02Å; M1048-Y1096 HydrophobicContact CE-CG 3.81Å; M1048-Y1096 HydrophobicContact SD-CD2 4.12Å; M1048-Y1096 HydrophobicContact SD-CG 4.03Å; F1092-Y1096 HydrophobicContact CD2-CE2 4.21Å; F1092-Y1096 HydrophobicContact CE1-CE2 4.47Å; F1092-Y1096 HydrophobicContact CE2-CD2 4.42Å; F1092-Y1096 AromaticContact CE2-CE2 3.67Å; F1092-Y1096 HydrophobicContact CE2-CE2 3.67Å; F1092-Y1096 HydrophobicContact CZ-CD2 4.31Å; F1092-Y1096 AromaticContact CZ-CE2 3.85Å; F1092-Y1096 HydrophobicContact CZ-CE2 3.85Å; F1092-Y1096 VanDerWaalsContact O-CD2 3.3Å; F1092-Y1096 WeakPolarHBondContact O-CD2 3.36Å; L1093-Y1096 CarbonylContact O-C 3.56Å; L1093-Y1096 PolarHBondContact O-N 3.11Å; G1094-Y1096 VanDerWaalsContact C-N 3.29Å; G1094-Y1096 PolarHBondContact O-N 3.08Å; Y1096-C1098 VanDerWaalsContact C-N 3.29Å; Y1096-C1098 PolarHBondContact O-N 3.09Å; Y1096-C1098 VanDerWaalsContact O-N 3.12Å; Y1096-G1099 PolarHBondContact O-N 3.12Å; Y1096-G1099 VanDerWaalsContact O-N 3.1Å; Y1096-I1100 WeakPolarHBondContact O-CD1 3.36Å; Y1096-I1100 VanDerWaalsContact O-CG1 3.3Å; Y1096-I1100 WeakPolarHBondContact O-CG1 3.35Å; Y1096-I1100 PolarHBondContact O-N 3.06Å; Y1096-I1100 VanDerWaalsContact O-N 3.11Å |
| 1097 | V | 84.8 | Confident | 80.6 | Confident | 1.2 Ų | 1.2 | 40.2 Ų | 40.2 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.1 | -42.7 | -174.7 | 176 | 0 | 0 | 0 | 0 | 112.5 | L1093 G1094 G1099 I1100 L1101 L1132 M1140 F1144 | L1093-V1097 VanDerWaalsContact O-CG2 3.3Å; L1093-V1097 WeakPolarHBondContact O-CG2 3.34Å; L1093-V1097 PolarHBondContact O-N 3.36Å; L1093-V1097 VanDerWaalsContact O-N 3.13Å; G1094-V1097 WeakPolarHBondContact O-CG2 3.4Å; V1097-G1099 VanDerWaalsContact C-N 3.35Å; V1097-G1099 PolarHBondContact O-N 3.17Å; V1097-I1100 PolarHBondContact O-N 3.04Å; V1097-L1101 HydrophobicContact CG1-CD1 3.72Å; V1097-L1101 HydrophobicContact CG1-CG 4.07Å; V1097-L1101 WeakPolarHBondContact O-CB 3.47Å; V1097-L1101 WeakPolarHBondContact O-CG 3.35Å; V1097-L1101 PolarHBondContact O-N 3.05Å; V1097-L1132 HydrophobicContact CG1-CD1 4.47Å; V1097-L1132 HydrophobicContact CG1-CD2 4.2Å; V1097-L1132 HydrophobicContact CG2-CD1 3.92Å; V1097-L1132 HydrophobicContact CG2-CD2 3.59Å; V1097-L1132 VanDerWaalsContact CG2-CD2 3.48Å; V1097-L1132 HydrophobicContact CG2-CG 4.43Å; V1097-M1140 HydrophobicContact CB-CG 4.28Å; V1097-M1140 HydrophobicContact CG1-CB 4.12Å; V1097-M1140 HydrophobicContact CG1-CG 3.98Å; V1097-F1144 HydrophobicContact CG1-CE2 3.92Å; V1097-F1144 HydrophobicContact CG1-CZ 3.96Å |
| 1098 | C | 80 | Confident | 82 | Confident | 37 Ų | 37 | 33.3 Ų | 33.3 | 25% | 0.25 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.1 | -45.6 | 179.6 | -69.7 | 0 | 0 | 0 | 0 | 113 | Y1096 L1101 A1102 M1140 K1143 | Y1096-C1098 VanDerWaalsContact C-N 3.29Å; Y1096-C1098 PolarHBondContact O-N 3.09Å; Y1096-C1098 VanDerWaalsContact O-N 3.12Å; C1098-L1101 PolarHBondContact O-N 3.11Å; C1098-A1102 WeakPolarHBondContact O-CB 3.33Å; C1098-A1102 PolarHBondContact O-N 3.1Å; C1098-A1102 VanDerWaalsContact O-N 3.1Å; C1098-M1140 WeakPolarHBondContact SG-CE 3.31Å; C1098-K1143 HydrophobicContact CB-CD 4.47Å; C1098-K1143 VanDerWaalsContact O-CE 3.25Å; C1098-K1143 WeakPolarHBondContact O-CE 3.39Å; C1098-K1143 PolarHBondContact O-NZ 3.34Å; C1098-K1143 PolarHBondContact SG-NZ 3.09Å |
| 1099 | G | 81 | Confident | 82.6 | Confident | 35.8 Ų | 35.8 | 33.2 Ų | 33.2 | 37% | 0.369 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -68.9 | -39.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1096 V1097 L1101 A1102 F1103 | Y1096-G1099 PolarHBondContact O-N 3.12Å; Y1096-G1099 VanDerWaalsContact O-N 3.1Å; V1097-G1099 VanDerWaalsContact C-N 3.35Å; V1097-G1099 PolarHBondContact O-N 3.17Å; G1099-L1101 PolarHBondContact O-N 3.35Å; G1099-A1102 PolarHBondContact O-N 3.05Å; G1099-F1103 WeakPolarHBondContact O-CB 3.21Å; G1099-F1103 PolarHBondContact O-N 3.18Å |
| 1100 | I | 86.2 | Confident | 82.6 | Confident | 0.2 Ų | 0.2 | 36.2 Ų | 36.2 | 0% | 0.001 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.4 | -63.6 | 162.3 | 0 | 0 | 0 | 111.1 | M1048 I1052 L1093 Y1096 V1097 F1103 F1104 F1128 | M1048-I1100 HydrophobicContact CE-CD1 4.15Å; M1048-I1100 HydrophobicContact CE-CG1 3.95Å; M1048-I1100 HydrophobicContact SD-CD1 4.24Å; M1048-I1100 HydrophobicContact SD-CG1 4.4Å; I1052-I1100 HydrophobicContact CD1-CB 4.23Å; I1052-I1100 HydrophobicContact CD1-CD1 3.39Å; I1052-I1100 VanDerWaalsContact CD1-CD1 3.42Å; I1052-I1100 HydrophobicContact CD1-CG1 3.49Å; I1052-I1100 VanDerWaalsContact CD1-CG1 3.47Å; I1052-I1100 HydrophobicContact CD1-CG2 3.7Å; I1052-I1100 HydrophobicContact CG2-CG2 3.99Å; L1093-I1100 HydrophobicContact CD2-CD1 4.28Å; Y1096-I1100 WeakPolarHBondContact O-CD1 3.36Å; Y1096-I1100 VanDerWaalsContact O-CG1 3.3Å; Y1096-I1100 WeakPolarHBondContact O-CG1 3.35Å; Y1096-I1100 PolarHBondContact O-N 3.06Å; Y1096-I1100 VanDerWaalsContact O-N 3.11Å; V1097-I1100 PolarHBondContact O-N 3.04Å; I1100-F1103 WeakPolarHBondContact O-CB 3.4Å; I1100-F1103 PolarHBondContact O-N 3.36Å; I1100-F1104 HydrophobicContact CG2-CD2 3.88Å; I1100-F1104 HydrophobicContact CG2-CE2 3.67Å; I1100-F1104 VanDerWaalsContact O-CD2 3.28Å; I1100-F1104 WeakPolarHBondContact O-CD2 3.34Å; I1100-F1104 PolarHBondContact O-N 3.14Å; I1100-F1128 HydrophobicContact CB-CE1 4.43Å; I1100-F1128 HydrophobicContact CB-CZ 4.14Å; I1100-F1128 HydrophobicContact CD1-CE2 3.96Å; I1100-F1128 HydrophobicContact CD1-CZ 3.72Å; I1100-F1128 HydrophobicContact CG1-CZ 4.47Å; I1100-F1128 HydrophobicContact CG2-CD1 4.36Å; I1100-F1128 HydrophobicContact CG2-CE1 3.74Å; I1100-F1128 HydrophobicContact CG2-CE2 4.13Å; I1100-F1128 HydrophobicContact CG2-CZ 3.61Å |
| 1101 | L | 87 | Confident | 82.1 | Confident | 0.8 Ų | 0.8 | 41.6 Ų | 41.6 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.8 | -40.3 | 179.4 | -71.3 | -179.6 | 0 | 0 | 0 | 112.1 | V1097 C1098 G1099 F1103 F1104 D1105 L1125 F1128 K1143 F1144 N1147 | V1097-L1101 HydrophobicContact CG1-CD1 3.72Å; V1097-L1101 HydrophobicContact CG1-CG 4.07Å; V1097-L1101 WeakPolarHBondContact O-CB 3.47Å; V1097-L1101 WeakPolarHBondContact O-CG 3.35Å; V1097-L1101 PolarHBondContact O-N 3.05Å; C1098-L1101 PolarHBondContact O-N 3.11Å; G1099-L1101 PolarHBondContact O-N 3.35Å; L1101-F1103 PolarHBondContact O-N 3.26Å; L1101-F1104 HydrophobicContact CD2-CD2 4.39Å; L1101-F1104 CarbonylContact O-C 3.47Å; L1101-F1104 WeakPolarHBondContact O-CA 3.27Å; L1101-F1104 WeakPolarHBondContact O-CB 3.35Å; L1101-F1104 PolarHBondContact O-N 3.24Å; L1101-F1104 VanDerWaalsContact O-N 3.1Å; L1101-D1105 VanDerWaalsContact O-CG 3.22Å; L1101-D1105 PolarHBondContact O-N 3.16Å; L1101-L1125 HydrophobicContact CD2-CD1 4.06Å; L1101-F1128 HydrophobicContact CD2-CE1 4.44Å; L1101-K1143 HydrophobicContact CB-CD 4.09Å; L1101-K1143 HydrophobicContact CB-CG 4.17Å; L1101-K1143 HydrophobicContact CD1-CB 3.96Å; L1101-K1143 HydrophobicContact CD1-CD 4.05Å; L1101-K1143 HydrophobicContact CD1-CG 3.69Å; L1101-F1144 HydrophobicContact CD1-CD1 4.05Å; L1101-F1144 HydrophobicContact CD1-CD2 4.25Å; L1101-F1144 HydrophobicContact CD1-CE1 4Å; L1101-F1144 HydrophobicContact CD1-CE2 4.18Å; L1101-F1144 HydrophobicContact CD1-CG 4.16Å; L1101-F1144 HydrophobicContact CD1-CZ 4.04Å; L1101-F1144 HydrophobicContact CD2-CD1 4Å; L1101-F1144 HydrophobicContact CD2-CE1 3.69Å; L1101-F1144 HydrophobicContact CD2-CZ 4.32Å; L1101-F1144 HydrophobicContact CG-CE1 4.34Å; L1101-N1147 HydrophobicContact CD2-CB 4.31Å |
| 1102 | A | 83.5 | Confident | 81.6 | Confident | 31 Ų | 31 | 44.3 Ų | 44.3 | 26% | 0.256 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.8 | -36.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1098 G1099 D1105 N1106 | C1098-A1102 WeakPolarHBondContact O-CB 3.33Å; C1098-A1102 PolarHBondContact O-N 3.1Å; C1098-A1102 VanDerWaalsContact O-N 3.1Å; G1099-A1102 PolarHBondContact O-N 3.05Å; A1102-D1105 WeakPolarHBondContact O-CB 3.26Å; A1102-D1105 PolarHBondContact O-N 3.13Å; A1102-N1106 VanDerWaalsContact O-CG 3.3Å; A1102-N1106 PolarHBondContact O-N 3.25Å; A1102-N1106 PolarHBondContact O-ND2 3.14Å |
| 1103 | F | 84.8 | Confident | 81.2 | Confident | 41.2 Ų | 41.2 | 44.5 Ų | 44.5 | 18% | 0.181 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 173.5 | 177.8 | -93.3 | 0 | 0 | 0 | 112.3 | H1049 L1053 G1099 I1100 L1101 N1106 M1107 | H1049-F1103 HydrophobicContact CB-CB 4.45Å; H1049-F1103 HydrophobicContact CB-CD1 3.79Å; H1049-F1103 HydrophobicContact CB-CD2 4Å; H1049-F1103 HydrophobicContact CB-CE1 3.9Å; H1049-F1103 HydrophobicContact CB-CE2 4.1Å; H1049-F1103 HydrophobicContact CB-CG 3.83Å; H1049-F1103 HydrophobicContact CB-CZ 4.05Å; H1049-F1103 AromaticContact CG-CD2 3.96Å; H1049-F1103 AromaticContact CG-CG 3.76Å; H1049-F1103 AromaticContact ND1-CD2 3.72Å; H1049-F1103 AromaticContact ND1-CG 3.77Å; L1053-F1103 HydrophobicContact CD1-CE1 3.47Å; L1053-F1103 VanDerWaalsContact CD1-CE1 3.49Å; L1053-F1103 HydrophobicContact CD1-CZ 3.56Å; L1053-F1103 HydrophobicContact CD2-CE1 3.81Å; L1053-F1103 HydrophobicContact CG-CD1 4.45Å; L1053-F1103 HydrophobicContact CG-CE1 3.54Å; L1053-F1103 HydrophobicContact CG-CZ 4.16Å; G1099-F1103 WeakPolarHBondContact O-CB 3.21Å; G1099-F1103 PolarHBondContact O-N 3.18Å; I1100-F1103 WeakPolarHBondContact O-CB 3.4Å; I1100-F1103 PolarHBondContact O-N 3.36Å; L1101-F1103 PolarHBondContact O-N 3.26Å; F1103-N1106 PolarHBondContact O-N 3.27Å; F1103-M1107 HydrophobicContact CD1-CG 4.32Å; F1103-M1107 HydrophobicContact CE1-CG 3.79Å; F1103-M1107 HydrophobicContact CE2-CG 4.32Å; F1103-M1107 HydrophobicContact CZ-CG 3.81Å; F1103-M1107 HydrophobicContact CZ-SD 4.24Å; F1103-M1107 WeakPolarHBondContact O-CB 3.3Å; F1103-M1107 VanDerWaalsContact O-CG 3.32Å; F1103-M1107 WeakPolarHBondContact O-CG 3.39Å; F1103-M1107 PolarHBondContact O-N 3.29Å |
| 1104 | F | 88 | Confident | 80.6 | Confident | 0.2 Ų | 0.2 | 44.9 Ų | 44.9 | 0% | 0.001 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 170.9 | -81.3 | -66.5 | 0 | 0 | 0 | 112.3 | I1052 L1053 I1100 L1101 N1106 M1107 L1108 A1121 L1125 F1128 | I1052-F1104 HydrophobicContact CG2-CE2 3.58Å; I1052-F1104 HydrophobicContact CG2-CZ 3.48Å; I1052-F1104 VanDerWaalsContact CG2-CZ 3.46Å; L1053-F1104 HydrophobicContact CD2-CD1 4.3Å; L1053-F1104 HydrophobicContact CD2-CE1 4.07Å; I1100-F1104 HydrophobicContact CG2-CD2 3.88Å; I1100-F1104 HydrophobicContact CG2-CE2 3.67Å; I1100-F1104 VanDerWaalsContact O-CD2 3.28Å; I1100-F1104 WeakPolarHBondContact O-CD2 3.34Å; I1100-F1104 PolarHBondContact O-N 3.14Å; L1101-F1104 HydrophobicContact CD2-CD2 4.39Å; L1101-F1104 CarbonylContact O-C 3.47Å; L1101-F1104 WeakPolarHBondContact O-CA 3.27Å; L1101-F1104 WeakPolarHBondContact O-CB 3.35Å; L1101-F1104 PolarHBondContact O-N 3.24Å; L1101-F1104 VanDerWaalsContact O-N 3.1Å; F1104-N1106 VanDerWaalsContact C-N 3.34Å; F1104-N1106 PolarHBondContact O-N 3.35Å; F1104-M1107 PolarHBondContact O-N 3.21Å; F1104-L1108 WeakPolarHBondContact O-CB 3.38Å; F1104-L1108 VanDerWaalsContact O-CG 3.24Å; F1104-L1108 WeakPolarHBondContact O-CG 3.39Å; F1104-L1108 PolarHBondContact O-N 3.2Å; F1104-A1121 HydrophobicContact CD1-CB 4.24Å; F1104-A1121 HydrophobicContact CE1-CB 4.23Å; F1104-A1121 VanDerWaalsContact CE1-O 3.26Å; F1104-A1121 WeakPolarHBondContact CE1-O 3.43Å; F1104-L1125 HydrophobicContact CD1-CB 4.4Å; F1104-L1125 HydrophobicContact CD2-CD1 3.96Å; F1104-L1125 HydrophobicContact CE1-CB 4.06Å; F1104-L1125 HydrophobicContact CE2-CB 4.46Å; F1104-L1125 HydrophobicContact CE2-CD1 4.01Å; F1104-L1125 HydrophobicContact CG-CD1 4.31Å; F1104-L1125 HydrophobicContact CZ-CB 4.12Å; F1104-L1125 HydrophobicContact CZ-CD1 4.4Å; F1104-F1128 HydrophobicContact CE2-CD1 4.18Å; F1104-F1128 HydrophobicContact CE2-CG 4.42Å |
| 1105 | D | 85.5 | Confident | 80.2 | Confident | 11.6 Ų | 11.6 | 46.9 Ų | 46.9 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.5 | -48 | 177.8 | -65.3 | -27.7 | 0 | 0 | 0 | 110.5 | L1101 A1102 M1107 L1108 L1109 N1147 I1150 P1430 | L1101-D1105 VanDerWaalsContact O-CG 3.22Å; L1101-D1105 PolarHBondContact O-N 3.16Å; A1102-D1105 WeakPolarHBondContact O-CB 3.26Å; A1102-D1105 PolarHBondContact O-N 3.13Å; D1105-M1107 PolarHBondContact O-N 3.09Å; D1105-L1108 PolarHBondContact O-N 3.04Å; D1105-L1109 HydrophobicContact CB-CD1 4.44Å; D1105-L1109 VanDerWaalsContact O-CB 3.25Å; D1105-L1109 WeakPolarHBondContact O-CB 3.37Å; D1105-L1109 VanDerWaalsContact O-CG 3.26Å; D1105-L1109 WeakPolarHBondContact O-CG 3.33Å; D1105-L1109 PolarHBondContact O-N 3.11Å; D1105-N1147 PolarHBondContact OD1-ND2 3.34Å; D1105-I1150 HydrophobicContact CB-CD1 4.05Å; D1105-I1150 VanDerWaalsContact OD1-CD1 3.22Å; D1105-I1150 WeakPolarHBondContact OD1-CD1 3.4Å; D1105-P1430 HydrophobicContact CB-CB 4.24Å; D1105-P1430 HydrophobicContact CB-CG 4.3Å; D1105-P1430 WeakPolarHBondContact OD2-CB 3.49Å |
| 1106 | N | 84.2 | Confident | 79.8 | Confident | 99.6 Ų | 99.6 | 42.2 Ų | 42.2 | 53% | 0.533 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61 | -44.3 | 175.9 | -72 | -21.7 | 0 | 0 | 0 | 112 | A1102 F1103 F1104 L1108 L1109 N1110 | A1102-N1106 VanDerWaalsContact O-CG 3.3Å; A1102-N1106 PolarHBondContact O-N 3.25Å; A1102-N1106 PolarHBondContact O-ND2 3.14Å; F1103-N1106 PolarHBondContact O-N 3.27Å; F1104-N1106 VanDerWaalsContact C-N 3.34Å; F1104-N1106 PolarHBondContact O-N 3.35Å; N1106-L1108 VanDerWaalsContact C-N 3.32Å; N1106-L1108 PolarHBondContact O-N 3.29Å; N1106-L1109 PolarHBondContact O-N 3.34Å; N1106-N1110 WeakPolarHBondContact O-CB 3.41Å; N1106-N1110 PolarHBondContact O-N 3.23Å; N1106-N1110 PolarHBondContact O-ND2 3.31Å; N1106-N1110 VanDerWaalsContact O-ND2 3.15Å; N1106-N1110 PolarHBondContact O-OD1 3.03Å |
| 1107 | M | 83.4 | Confident | 79.5 | Confident | 38.2 Ų | 38.2 | 41.4 Ų | 41.4 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -34.6 | 178.7 | -76.5 | -65 | -21.5 | 0 | 0 | 113.4 | L1053 F1103 F1104 D1105 V1113 H1117 R1118 | L1053-M1107 HydrophobicContact CD1-CE 4.29Å; L1053-M1107 HydrophobicContact CD2-CG 4.48Å; F1103-M1107 HydrophobicContact CD1-CG 4.32Å; F1103-M1107 HydrophobicContact CE1-CG 3.79Å; F1103-M1107 HydrophobicContact CE2-CG 4.32Å; F1103-M1107 HydrophobicContact CZ-CG 3.81Å; F1103-M1107 HydrophobicContact CZ-SD 4.24Å; F1103-M1107 WeakPolarHBondContact O-CB 3.3Å; F1103-M1107 VanDerWaalsContact O-CG 3.32Å; F1103-M1107 WeakPolarHBondContact O-CG 3.39Å; F1103-M1107 PolarHBondContact O-N 3.29Å; F1104-M1107 PolarHBondContact O-N 3.21Å; D1105-M1107 PolarHBondContact O-N 3.09Å; M1107-V1113 HydrophobicContact CE-CB 4.29Å; M1107-V1113 HydrophobicContact CE-CG1 3.64Å; M1107-V1113 VanDerWaalsContact CE-CG1 3.41Å; M1107-V1113 HydrophobicContact CE-CG2 4.03Å; M1107-V1113 HydrophobicContact SD-CG1 4.47Å; M1107-V1113 HydrophobicContact SD-CG2 4.25Å; M1107-H1117 HydrophobicContact CE-CB 4.43Å; M1107-R1118 WeakPolarHBondContact O-CG 3.4Å |
| 1108 | L | 82.9 | Confident | 79.3 | Confident | 1.6 Ų | 1.6 | 42.5 Ų | 42.5 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -81.9 | -35.8 | 179 | -66.4 | 171.2 | 0 | 0 | 0 | 111.4 | F1104 D1105 N1106 N1110 R1118 I1150 R1153 Y1154 | F1104-L1108 WeakPolarHBondContact O-CB 3.38Å; F1104-L1108 VanDerWaalsContact O-CG 3.24Å; F1104-L1108 WeakPolarHBondContact O-CG 3.39Å; F1104-L1108 PolarHBondContact O-N 3.2Å; D1105-L1108 PolarHBondContact O-N 3.04Å; N1106-L1108 VanDerWaalsContact C-N 3.32Å; N1106-L1108 PolarHBondContact O-N 3.29Å; L1108-N1110 VanDerWaalsContact C-N 3.29Å; L1108-N1110 PolarHBondContact O-N 2.77Å; L1108-R1118 HydrophobicContact CD2-CB 4.4Å; L1108-R1118 WeakPolarHBondContact O-CD 3.23Å; L1108-R1118 PolarHBondContact O-NH1 3.07Å; L1108-I1150 HydrophobicContact CB-CG2 4.12Å; L1108-R1153 VanDerWaalsContact CB-NH2 3.3Å; L1108-R1153 PolarHBondContact O-NH2 3.25Å; L1108-Y1154 HydrophobicContact CB-CE2 4.44Å; L1108-Y1154 HydrophobicContact CD2-CE2 4.06Å; L1108-Y1154 PolarHBondContact O-OH 3.12Å; L1108-Y1154 VanDerWaalsContact O-OH 3.11Å |
| 1109 | L | 81.1 | Confident | 79.3 | Confident | 52.6 Ų | 52.6 | 42.4 Ų | 42.4 | 28% | 0.275 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -82.5 | -26.3 | -177.6 | -69.8 | 172.5 | 0 | 0 | 0 | 113.7 | D1105 N1106 D1111 I1150 R1153 P1430 | D1105-L1109 HydrophobicContact CB-CD1 4.44Å; D1105-L1109 VanDerWaalsContact O-CB 3.25Å; D1105-L1109 WeakPolarHBondContact O-CB 3.37Å; D1105-L1109 VanDerWaalsContact O-CG 3.26Å; D1105-L1109 WeakPolarHBondContact O-CG 3.33Å; D1105-L1109 PolarHBondContact O-N 3.11Å; N1106-L1109 PolarHBondContact O-N 3.34Å; L1109-D1111 PolarHBondContact O-N 3.1Å; L1109-I1150 HydrophobicContact CD1-CD1 4.26Å; L1109-I1150 HydrophobicContact CD2-CG1 4.44Å; L1109-I1150 HydrophobicContact CD2-CG2 3.7Å; L1109-I1150 HydrophobicContact CG-CD1 4.42Å; L1109-I1150 HydrophobicContact CG-CG2 4.06Å; L1109-R1153 VanDerWaalsContact CA-NH2 3.33Å; L1109-R1153 VanDerWaalsContact CD2-NH1 3.3Å; L1109-P1430 HydrophobicContact CD1-CG 3.95Å |
| 1110 | N | 78.1 | Confident | 79.3 | Confident | 74 Ų | 74 | 41.6 Ų | 41.6 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | trans | -73.8 | 114.1 | -176.7 | -109.4 | -7.1 | 0 | 0 | 0 | 111.7 | N1106 L1108 D1112 V1113 R1118 | N1106-N1110 WeakPolarHBondContact O-CB 3.41Å; N1106-N1110 PolarHBondContact O-N 3.23Å; N1106-N1110 PolarHBondContact O-ND2 3.31Å; N1106-N1110 VanDerWaalsContact O-ND2 3.15Å; N1106-N1110 PolarHBondContact O-OD1 3.03Å; L1108-N1110 VanDerWaalsContact C-N 3.29Å; L1108-N1110 PolarHBondContact O-N 2.77Å; N1110-D1112 VanDerWaalsContact C-N 3.26Å; N1110-D1112 PolarHBondContact O-N 3.18Å; N1110-D1112 WeakPolarHBondContact OD1-CB 3.31Å; N1110-D1112 PolarHBondContact OD1-N 2.99Å; N1110-V1113 HydrophobicContact CB-CG2 3.82Å; N1110-V1113 WeakPolarHBondContact O-CB 3.34Å; N1110-V1113 PolarHBondContact O-N 3.22Å; N1110-V1113 VanDerWaalsContact O-N 3.15Å; N1110-R1118 PolarHBondContact O-NE 2.98Å; N1110-R1118 PolarHBondContact O-NH1 2.95Å; N1110-R1118 PolarHBondContact O-NH2 3.05Å | ||
| 1111 | D | 69.2 | Low | 79.4 | Confident | 124.2 Ų | 124.2 | 41.6 Ų | 41.6 | 66% | 0.664 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18 | -178.4 | -73.7 | -36.3 | 0 | 0 | 0 | 114.3 | L1109 V1113 R1118 | L1109-D1111 PolarHBondContact O-N 3.1Å; D1111-V1113 VanDerWaalsContact C-N 3.28Å; D1111-V1113 PolarHBondContact O-N 3.18Å; D1111-R1118 VanDerWaalsContact C-NH2 3.28Å; D1111-R1118 PolarHBondContact O-NH2 3Å; D1111-R1118 IonicContact OD1-CZ 3.24Å; D1111-R1118 IonicContact OD1-NH1 3.07Å; D1111-R1118 PolarHBondContact OD1-NH1 3.28Å; D1111-R1118 IonicContact OD1-NH2 3.35Å |
| 1112 | D | 68.6 | Low | 79.3 | Confident | 118 Ų | 118 | 41.7 Ų | 41.7 | 63% | 0.631 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -16.7 | 174.7 | -64.6 | -28.4 | 0 | 0 | 0 | 113.7 | Q915 R918 N1110 | Q915-D1112 PolarHBondContact NE2-O 3.46Å; Q915-D1112 VanDerWaalsContact NE2-O 3.12Å; R918-D1112 PolarHBondContact NH1-O 3.24Å; R918-D1112 VanDerWaalsContact NH1-O 3.12Å; N1110-D1112 VanDerWaalsContact C-N 3.26Å; N1110-D1112 PolarHBondContact O-N 3.18Å; N1110-D1112 WeakPolarHBondContact OD1-CB 3.31Å; N1110-D1112 PolarHBondContact OD1-N 2.99Å |
| 1113 | V | 71.8 | Confident | 79.5 | Confident | 18.4 Ų | 18.4 | 43 Ų | 43 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -78.9 | 128 | 179.4 | -179 | 0 | 0 | 0 | 0 | 109 | M1107 N1110 D1111 L1115 H1117 R1118 | M1107-V1113 HydrophobicContact CE-CB 4.29Å; M1107-V1113 HydrophobicContact CE-CG1 3.64Å; M1107-V1113 VanDerWaalsContact CE-CG1 3.41Å; M1107-V1113 HydrophobicContact CE-CG2 4.03Å; M1107-V1113 HydrophobicContact SD-CG1 4.47Å; M1107-V1113 HydrophobicContact SD-CG2 4.25Å; N1110-V1113 HydrophobicContact CB-CG2 3.82Å; N1110-V1113 WeakPolarHBondContact O-CB 3.34Å; N1110-V1113 PolarHBondContact O-N 3.22Å; N1110-V1113 VanDerWaalsContact O-N 3.15Å; D1111-V1113 VanDerWaalsContact C-N 3.28Å; D1111-V1113 PolarHBondContact O-N 3.18Å; V1113-L1115 PolarHBondContact O-N 3.21Å; V1113-H1117 HydrophobicContact CG1-CB 3.73Å; V1113-R1118 HydrophobicContact CB-CG 4.12Å; V1113-R1118 HydrophobicContact CG1-CG 3.72Å; V1113-R1118 VanDerWaalsContact O-CZ 3.24Å; V1113-R1118 PolarHBondContact O-NE 3.22Å; V1113-R1118 PolarHBondContact O-NH2 3.24Å |
| 1114 | I | 70.9 | Confident | 79.8 | Confident | 8.2 Ų | 8.2 | 41 Ų | 41 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | trans | -59.4 | 140.3 | 178.3 | -56.2 | 169.2 | 0 | 0 | 0 | 109.9 | Q915 R918 L919 E1116 H1117 R1118 | Q915-I1114 HydrophobicContact CB-CD1 4.21Å; Q915-I1114 HydrophobicContact CB-CG1 4.29Å; Q915-I1114 HydrophobicContact CG-CD1 4.26Å; Q915-I1114 HydrophobicContact CG-CG1 4.15Å; R918-I1114 HydrophobicContact CB-CD1 3.65Å; R918-I1114 VanDerWaalsContact CB-CD1 3.43Å; R918-I1114 HydrophobicContact CG-CD1 4.13Å; L919-I1114 HydrophobicContact CD2-CD1 4.09Å; L919-I1114 HydrophobicContact CD2-CG2 3.92Å; L919-I1114 HydrophobicContact CG-CD1 4.16Å; L919-I1114 HydrophobicContact CG-CG2 4.43Å; I1114-E1116 HydrophobicContact CG2-CB 4.33Å; I1114-E1116 HydrophobicContact CG2-CG 4.39Å; I1114-E1116 WeakPolarHBondContact CG2-OE2 3.34Å; I1114-E1116 PolarHBondContact O-N 3.16Å; I1114-E1116 VanDerWaalsContact O-N 3.11Å; I1114-H1117 WeakPolarHBondContact O-CB 3.27Å; I1114-H1117 PolarHBondContact O-N 3.18Å; I1114-R1118 PolarHBondContact O-N 3.14Å; I1114-R1118 VanDerWaalsContact O-N 3.15Å | ||
| 1115 | L | 71 | Confident | 80 | Confident | 59.4 Ų | 59.4 | 41 Ų | 41 | 31% | 0.311 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -54 | -34.7 | -176.7 | -134.1 | 120.2 | 0 | 0 | 0 | 113 | M835 V1113 H1117 R1118 W1119 F1159 | M835-L1115 HydrophobicContact CE-CB 4.16Å; M835-L1115 HydrophobicContact CE-CD1 3.76Å; M835-L1115 HydrophobicContact CE-CD2 3.26Å; M835-L1115 HydrophobicContact CE-CG 4.33Å; V1113-L1115 PolarHBondContact O-N 3.21Å; L1115-H1117 PolarHBondContact O-N 2.78Å; L1115-R1118 WeakPolarHBondContact O-CB 3.38Å; L1115-R1118 PolarHBondContact O-N 3.09Å; L1115-W1119 WeakPolarHBondContact O-CB 3.27Å; L1115-W1119 PolarHBondContact O-N 3.15Å; L1115-F1159 HydrophobicContact CB-CZ 4.39Å; L1115-F1159 HydrophobicContact CD2-CE1 4.09Å; L1115-F1159 HydrophobicContact CD2-CE2 3.66Å; L1115-F1159 HydrophobicContact CD2-CZ 3.5Å; L1115-F1159 HydrophobicContact CG-CE1 4.12Å; L1115-F1159 HydrophobicContact CG-CE2 4.39Å; L1115-F1159 HydrophobicContact CG-CZ 3.81Å |
| 1116 | E | 70.6 | Confident | 80.2 | Confident | 48.4 Ų | 48.4 | 41.1 Ų | 41.1 | 23% | 0.226 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.7 | -67.8 | 154.8 | -161.5 | 0 | 0 | 113.3 | Y831 I871 L919 I1114 R1118 W1119 S1120 | Y831-E1116 PolarHBondContact OH-OE1 2.97Å; I871-E1116 VanDerWaalsContact CD1-CD 3.43Å; I871-E1116 HydrophobicContact CD1-CG 4.38Å; I871-E1116 WeakPolarHBondContact CD1-OE1 3.42Å; L919-E1116 HydrophobicContact CD2-CG 4.29Å; L919-E1116 WeakPolarHBondContact CD2-OE1 3.49Å; L919-E1116 WeakPolarHBondContact CD2-OE2 3.37Å; I1114-E1116 HydrophobicContact CG2-CB 4.33Å; I1114-E1116 HydrophobicContact CG2-CG 4.39Å; I1114-E1116 WeakPolarHBondContact CG2-OE2 3.34Å; I1114-E1116 PolarHBondContact O-N 3.16Å; I1114-E1116 VanDerWaalsContact O-N 3.11Å; E1116-R1118 VanDerWaalsContact C-N 3.33Å; E1116-R1118 PolarHBondContact O-N 3.21Å; E1116-W1119 VanDerWaalsContact O-CB 3.28Å; E1116-W1119 WeakPolarHBondContact O-CB 3.39Å; E1116-W1119 PolarHBondContact O-N 3.19Å; E1116-W1119 VanDerWaalsContact O-N 3.13Å; E1116-S1120 PolarHBondContact O-N 3.23Å; E1116-S1120 PolarHBondContact O-OG 3.19Å |
| 1117 | H | 76.3 | Confident | 80.5 | Confident | 67.6 Ų | 67.6 | 37.6 Ų | 37.6 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.2 | -39.6 | 174.9 | -71.1 | -46.3 | 0 | 0 | 0 | 110.9 | M1107 V1113 I1114 L1115 W1119 S1120 A1121 | M1107-H1117 HydrophobicContact CE-CB 4.43Å; V1113-H1117 HydrophobicContact CG1-CB 3.73Å; I1114-H1117 WeakPolarHBondContact O-CB 3.27Å; I1114-H1117 PolarHBondContact O-N 3.18Å; L1115-H1117 PolarHBondContact O-N 2.78Å; H1117-W1119 VanDerWaalsContact C-N 3.27Å; H1117-W1119 PolarHBondContact O-N 3.21Å; H1117-S1120 WeakPolarHBondContact CA-OG 3.37Å; H1117-S1120 PolarHBondContact O-N 3.05Å; H1117-S1120 PolarHBondContact O-OG 3.07Å; H1117-A1121 VanDerWaalsContact O-CB 3.3Å; H1117-A1121 WeakPolarHBondContact O-CB 3.23Å; H1117-A1121 PolarHBondContact O-N 2.99Å |
| 1118 | R | 82.2 | Confident | 80.8 | Confident | 24.4 Ų | 24.4 | 35.7 Ų | 35.7 | 9% | 0.092 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 172 | -57.4 | -169.3 | -145.4 | 171.8 | 11.8 | 111.3 | M1107 L1108 N1110 D1111 V1113 I1114 L1115 E1116 A1121 L1122 Y1154 | M1107-R1118 WeakPolarHBondContact O-CG 3.4Å; L1108-R1118 HydrophobicContact CD2-CB 4.4Å; L1108-R1118 WeakPolarHBondContact O-CD 3.23Å; L1108-R1118 PolarHBondContact O-NH1 3.07Å; N1110-R1118 PolarHBondContact O-NE 2.98Å; N1110-R1118 PolarHBondContact O-NH1 2.95Å; N1110-R1118 PolarHBondContact O-NH2 3.05Å; D1111-R1118 VanDerWaalsContact C-NH2 3.28Å; D1111-R1118 PolarHBondContact O-NH2 3Å; D1111-R1118 IonicContact OD1-CZ 3.24Å; D1111-R1118 IonicContact OD1-NH1 3.07Å; D1111-R1118 PolarHBondContact OD1-NH1 3.28Å; D1111-R1118 IonicContact OD1-NH2 3.35Å; V1113-R1118 HydrophobicContact CB-CG 4.12Å; V1113-R1118 HydrophobicContact CG1-CG 3.72Å; V1113-R1118 VanDerWaalsContact O-CZ 3.24Å; V1113-R1118 PolarHBondContact O-NE 3.22Å; V1113-R1118 PolarHBondContact O-NH2 3.24Å; I1114-R1118 PolarHBondContact O-N 3.14Å; I1114-R1118 VanDerWaalsContact O-N 3.15Å; L1115-R1118 WeakPolarHBondContact O-CB 3.38Å; L1115-R1118 PolarHBondContact O-N 3.09Å; E1116-R1118 VanDerWaalsContact C-N 3.33Å; E1116-R1118 PolarHBondContact O-N 3.21Å; R1118-A1121 WeakPolarHBondContact O-CB 3.47Å; R1118-A1121 PolarHBondContact O-N 3.22Å; R1118-L1122 WeakPolarHBondContact O-CB 3.31Å; R1118-L1122 PolarHBondContact O-N 3.13Å; R1118-Y1154 WeakPolarHBondContact CD-OH 3.4Å |
| 1119 | W | 79.4 | Confident | 81.2 | Confident | 34.6 Ų | 34.6 | 35.7 Ų | 35.7 | 13% | 0.131 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -45.9 | 175.7 | -165.4 | 46.4 | 0 | 0 | 0 | 112.9 | T868 L1115 E1116 H1117 A1121 L1122 R1123 P1158 F1159 | T868-W1119 HydrophobicContact CG2-CH2 4.28Å; T868-W1119 HydrophobicContact CG2-CZ3 3.86Å; L1115-W1119 WeakPolarHBondContact O-CB 3.27Å; L1115-W1119 PolarHBondContact O-N 3.15Å; E1116-W1119 VanDerWaalsContact O-CB 3.28Å; E1116-W1119 WeakPolarHBondContact O-CB 3.39Å; E1116-W1119 PolarHBondContact O-N 3.19Å; E1116-W1119 VanDerWaalsContact O-N 3.13Å; H1117-W1119 VanDerWaalsContact C-N 3.27Å; H1117-W1119 PolarHBondContact O-N 3.21Å; W1119-A1121 VanDerWaalsContact C-N 3.32Å; W1119-A1121 PolarHBondContact O-N 2.86Å; W1119-L1122 PolarHBondContact O-N 3.15Å; W1119-R1123 VanDerWaalsContact CE2-CZ 3.42Å; W1119-R1123 VanDerWaalsContact CH2-NH2 3.28Å; W1119-R1123 VanDerWaalsContact CZ2-NH1 3.25Å; W1119-R1123 VanDerWaalsContact CZ3-NH1 3.32Å; W1119-R1123 PolarHBondContact O-N 3.25Å; W1119-P1158 HydrophobicContact CZ2-CG 4.46Å; W1119-F1159 HydrophobicContact CB-CD1 4.41Å; W1119-F1159 HydrophobicContact CB-CE1 3.61Å; W1119-F1159 HydrophobicContact CB-CZ 4.15Å; W1119-F1159 AromaticContact CD1-CD1 3.59Å; W1119-F1159 VanDerWaalsContact CD1-CD1 3.49Å; W1119-F1159 AromaticContact CD1-CE1 3.53Å; W1119-F1159 VanDerWaalsContact CD1-CE1 3.45Å; W1119-F1159 AromaticContact CD1-CZ 3.96Å; W1119-F1159 HydrophobicContact CG-CD1 4.26Å; W1119-F1159 AromaticContact CG-CE1 3.74Å; W1119-F1159 HydrophobicContact CG-CE1 3.74Å; W1119-F1159 HydrophobicContact CG-CZ 4.21Å |
| 1120 | S | 81.6 | Confident | 81.5 | Confident | 19.6 Ų | 19.6 | 38.8 Ų | 38.8 | 14% | 0.137 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 175.1 | 146 | 0 | 0 | 0 | 0 | 111 | Y1056 E1116 H1117 L1122 R1123 S1124 | Y1056-S1120 PolarHBondContact O-OG 3.06Å; E1116-S1120 PolarHBondContact O-N 3.23Å; E1116-S1120 PolarHBondContact O-OG 3.19Å; H1117-S1120 WeakPolarHBondContact CA-OG 3.37Å; H1117-S1120 PolarHBondContact O-N 3.05Å; H1117-S1120 PolarHBondContact O-OG 3.07Å; S1120-L1122 PolarHBondContact O-N 3.3Å; S1120-R1123 PolarHBondContact O-N 3.24Å; S1120-S1124 VanDerWaalsContact O-CB 3.28Å; S1120-S1124 WeakPolarHBondContact O-CB 3.38Å; S1120-S1124 PolarHBondContact O-N 3.32Å; S1120-S1124 PolarHBondContact O-OG 3.09Å; S1120-S1124 VanDerWaalsContact O-OG 3.08Å |
| 1121 | A | 86.5 | Confident | 81.9 | Confident | 0.8 Ų | 0.8 | 36.7 Ų | 36.7 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1053 F1104 H1117 R1118 W1119 R1123 S1124 L1125 | L1053-A1121 HydrophobicContact CD2-CB 3.74Å; F1104-A1121 HydrophobicContact CD1-CB 4.24Å; F1104-A1121 HydrophobicContact CE1-CB 4.23Å; F1104-A1121 VanDerWaalsContact CE1-O 3.26Å; F1104-A1121 WeakPolarHBondContact CE1-O 3.43Å; H1117-A1121 VanDerWaalsContact O-CB 3.3Å; H1117-A1121 WeakPolarHBondContact O-CB 3.23Å; H1117-A1121 PolarHBondContact O-N 2.99Å; R1118-A1121 WeakPolarHBondContact O-CB 3.47Å; R1118-A1121 PolarHBondContact O-N 3.22Å; W1119-A1121 VanDerWaalsContact C-N 3.32Å; W1119-A1121 PolarHBondContact O-N 2.86Å; A1121-R1123 VanDerWaalsContact C-N 3.34Å; A1121-R1123 PolarHBondContact O-N 3.09Å; A1121-S1124 VanDerWaalsContact CA-OG 3.26Å; A1121-S1124 WeakPolarHBondContact CA-OG 3.32Å; A1121-S1124 CarbonylContact O-C 3.57Å; A1121-S1124 PolarHBondContact O-N 2.99Å; A1121-S1124 PolarHBondContact O-OG 3.44Å; A1121-L1125 WeakPolarHBondContact O-CB 3.38Å; A1121-L1125 PolarHBondContact O-N 3.13Å |
| 1122 | L | 86.5 | Confident | 82.7 | Confident | 1.8 Ų | 1.8 | 30.9 Ų | 30.9 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 177.3 | -174.4 | 70.8 | 0 | 0 | 0 | 111.9 | R1118 W1119 S1120 L1125 V1126 C1151 V1162 V1163 | R1118-L1122 WeakPolarHBondContact O-CB 3.31Å; R1118-L1122 PolarHBondContact O-N 3.13Å; W1119-L1122 PolarHBondContact O-N 3.15Å; S1120-L1122 PolarHBondContact O-N 3.3Å; L1122-L1125 HydrophobicContact CD1-CD2 4.42Å; L1122-L1125 WeakPolarHBondContact O-CB 3.29Å; L1122-L1125 PolarHBondContact O-N 2.99Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.25Å; L1122-V1126 PolarHBondContact O-N 3.11Å; L1122-C1151 HydrophobicContact CD1-CB 3.86Å; L1122-C1151 VanDerWaalsContact CD1-SG 3.56Å; L1122-C1151 WeakPolarHBondContact CD1-SG 3.33Å; L1122-V1162 HydrophobicContact CB-CG1 4.41Å; L1122-V1162 HydrophobicContact CD2-CB 3.73Å; L1122-V1162 HydrophobicContact CD2-CG1 3.65Å; L1122-V1162 VanDerWaalsContact CD2-CG1 3.47Å; L1122-V1162 HydrophobicContact CG-CB 4.36Å; L1122-V1162 HydrophobicContact CG-CG1 3.72Å; L1122-V1163 HydrophobicContact CD1-CG2 4.34Å; L1122-V1163 HydrophobicContact CD2-CG2 3.72Å |
| 1123 | R | 87.8 | Confident | 83.5 | Confident | 58.4 Ų | 58.4 | 26.3 Ų | 26.3 | 22% | 0.22 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.8 | -39 | 175.9 | -73.8 | -174.8 | 170.6 | 163.2 | -7.1 | 112.5 | Y1056 W1119 S1120 A1121 L1125 V1126 V1127 V1162 | Y1056-R1123 HydrophobicContact CD1-CB 3.65Å; Y1056-R1123 VanDerWaalsContact CD1-CD 3.48Å; Y1056-R1123 HydrophobicContact CD1-CG 4.25Å; Y1056-R1123 HydrophobicContact CD2-CB 4.09Å; Y1056-R1123 HydrophobicContact CE1-CB 4.27Å; Y1056-R1123 HydrophobicContact CE1-CG 4.39Å; Y1056-R1123 HydrophobicContact CG-CB 3.55Å; Y1056-R1123 VanDerWaalsContact CG-CB 3.45Å; Y1056-R1123 HydrophobicContact CG-CG 4.42Å; Y1056-R1123 VanDerWaalsContact CZ-CD 3.44Å; Y1056-R1123 PolarHBondContact OH-NH1 3.21Å; Y1056-R1123 VanDerWaalsContact OH-NH1 3.12Å; W1119-R1123 VanDerWaalsContact CE2-CZ 3.42Å; W1119-R1123 VanDerWaalsContact CH2-NH2 3.28Å; W1119-R1123 VanDerWaalsContact CZ2-NH1 3.25Å; W1119-R1123 VanDerWaalsContact CZ3-NH1 3.32Å; W1119-R1123 PolarHBondContact O-N 3.25Å; S1120-R1123 PolarHBondContact O-N 3.24Å; A1121-R1123 VanDerWaalsContact C-N 3.34Å; A1121-R1123 PolarHBondContact O-N 3.09Å; R1123-L1125 VanDerWaalsContact C-N 3.29Å; R1123-L1125 PolarHBondContact O-N 3.06Å; R1123-V1126 WeakPolarHBondContact O-CB 3.3Å; R1123-V1126 PolarHBondContact O-N 3.04Å; R1123-V1126 VanDerWaalsContact O-N 3.17Å; R1123-V1127 PolarHBondContact O-N 3.11Å; R1123-V1127 VanDerWaalsContact O-N 3.16Å; R1123-V1162 HydrophobicContact CB-CG1 4.48Å; R1123-V1162 HydrophobicContact CG-CG1 3.59Å; R1123-V1162 HydrophobicContact CG-CG2 4.27Å |
| 1124 | S | 89.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.1 | -35.8 | 174.5 | -31.1 | 0 | 0 | 0 | 0 | 111.6 | I1052 L1053 Y1056 S1120 A1121 V1126 V1127 F1128 | I1052-S1124 VanDerWaalsContact O-CB 3.31Å; I1052-S1124 WeakPolarHBondContact O-CB 3.33Å; L1053-S1124 VanDerWaalsContact O-CB 3.28Å; L1053-S1124 WeakPolarHBondContact O-CB 3.45Å; L1053-S1124 PolarHBondContact O-OG 3.14Å; Y1056-S1124 WeakPolarHBondContact CB-OG 3.38Å; Y1056-S1124 PolarHBondContact N-OG 3.34Å; Y1056-S1124 PolarHBondContact O-OG 3.03Å; S1120-S1124 VanDerWaalsContact O-CB 3.28Å; S1120-S1124 WeakPolarHBondContact O-CB 3.38Å; S1120-S1124 PolarHBondContact O-N 3.32Å; S1120-S1124 PolarHBondContact O-OG 3.09Å; S1120-S1124 VanDerWaalsContact O-OG 3.08Å; A1121-S1124 VanDerWaalsContact CA-OG 3.26Å; A1121-S1124 WeakPolarHBondContact CA-OG 3.32Å; A1121-S1124 CarbonylContact O-C 3.57Å; A1121-S1124 PolarHBondContact O-N 2.99Å; A1121-S1124 PolarHBondContact O-OG 3.44Å; S1124-V1126 PolarHBondContact O-N 3.11Å; S1124-V1127 CarbonylContact O-C 3.53Å; S1124-V1127 PolarHBondContact O-N 3.31Å; S1124-V1127 VanDerWaalsContact O-N 3.16Å; S1124-F1128 VanDerWaalsContact O-CB 3.29Å; S1124-F1128 WeakPolarHBondContact O-CB 3.37Å; S1124-F1128 PolarHBondContact O-N 3.2Å |
| 1125 | L | 91.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 171.6 | 178.5 | 69.6 | 0 | 0 | 0 | 111.8 | L1101 F1104 A1121 L1122 R1123 V1127 F1128 I1129 N1147 L1148 | L1101-L1125 HydrophobicContact CD2-CD1 4.06Å; F1104-L1125 HydrophobicContact CD1-CB 4.4Å; F1104-L1125 HydrophobicContact CD2-CD1 3.96Å; F1104-L1125 HydrophobicContact CE1-CB 4.06Å; F1104-L1125 HydrophobicContact CE2-CB 4.46Å; F1104-L1125 HydrophobicContact CE2-CD1 4.01Å; F1104-L1125 HydrophobicContact CG-CD1 4.31Å; F1104-L1125 HydrophobicContact CZ-CB 4.12Å; F1104-L1125 HydrophobicContact CZ-CD1 4.4Å; A1121-L1125 WeakPolarHBondContact O-CB 3.38Å; A1121-L1125 PolarHBondContact O-N 3.13Å; L1122-L1125 HydrophobicContact CD1-CD2 4.42Å; L1122-L1125 WeakPolarHBondContact O-CB 3.29Å; L1122-L1125 PolarHBondContact O-N 2.99Å; R1123-L1125 VanDerWaalsContact C-N 3.29Å; R1123-L1125 PolarHBondContact O-N 3.06Å; L1125-V1127 VanDerWaalsContact C-N 3.29Å; L1125-V1127 PolarHBondContact O-N 3.2Å; L1125-F1128 HydrophobicContact CD1-CD1 4.44Å; L1125-F1128 WeakPolarHBondContact O-CB 3.33Å; L1125-F1128 PolarHBondContact O-N 3.24Å; L1125-F1128 VanDerWaalsContact O-N 3.16Å; L1125-I1129 HydrophobicContact CD1-CD1 4.41Å; L1125-I1129 HydrophobicContact CD1-CG1 4.44Å; L1125-I1129 HydrophobicContact CG-CD1 4.13Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.36Å; L1125-I1129 PolarHBondContact O-N 3.12Å; L1125-N1147 WeakPolarHBondContact CD2-OD1 3.27Å; L1125-L1148 HydrophobicContact CD2-CD2 4.16Å |
| 1126 | V | 90.6 | Very high | 85.5 | Confident | 13.2 Ų | 13.2 | 30.3 Ų | 30.3 | 8% | 0.08 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.5 | -43.6 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | L1122 R1123 S1124 K1130 V1162 K1165 A1166 S1169 | L1122-V1126 WeakPolarHBondContact O-CG2 3.25Å; L1122-V1126 PolarHBondContact O-N 3.11Å; R1123-V1126 WeakPolarHBondContact O-CB 3.3Å; R1123-V1126 PolarHBondContact O-N 3.04Å; R1123-V1126 VanDerWaalsContact O-N 3.17Å; S1124-V1126 PolarHBondContact O-N 3.11Å; V1126-K1130 WeakPolarHBondContact O-CG 3.44Å; V1126-K1130 PolarHBondContact O-N 3.08Å; V1126-V1162 HydrophobicContact CG2-CG1 4.19Å; V1126-K1165 HydrophobicContact CG1-CB 4.4Å; V1126-K1165 HydrophobicContact CG1-CD 4.47Å; V1126-K1165 HydrophobicContact CG1-CG 4.09Å; V1126-K1165 HydrophobicContact CG2-CB 4.44Å; V1126-A1166 HydrophobicContact CG2-CB 3.7Å; V1126-S1169 VanDerWaalsContact CG1-OG 3.31Å; V1126-S1169 WeakPolarHBondContact CG1-OG 3.12Å |
| 1127 | V | 89.2 | Confident | 86.3 | Confident | 25.4 Ų | 25.4 | 28 Ų | 28 | 15% | 0.154 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.4 | -38.5 | 178.4 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | L1055 R1059 R1123 S1124 L1125 K1130 L1131 | L1055-V1127 HydrophobicContact CB-CB 4.24Å; L1055-V1127 HydrophobicContact CB-CG1 4.08Å; L1055-V1127 HydrophobicContact CD1-CG1 4.48Å; L1055-V1127 HydrophobicContact CD2-CG1 4.4Å; R1059-V1127 HydrophobicContact CG-CG1 4.11Å; R1123-V1127 PolarHBondContact O-N 3.11Å; R1123-V1127 VanDerWaalsContact O-N 3.16Å; S1124-V1127 CarbonylContact O-C 3.53Å; S1124-V1127 PolarHBondContact O-N 3.31Å; S1124-V1127 VanDerWaalsContact O-N 3.16Å; L1125-V1127 VanDerWaalsContact C-N 3.29Å; L1125-V1127 PolarHBondContact O-N 3.2Å; V1127-K1130 PolarHBondContact O-N 3.11Å; V1127-L1131 HydrophobicContact CG1-CD1 4.02Å; V1127-L1131 HydrophobicContact CG1-CG 4.32Å; V1127-L1131 WeakPolarHBondContact O-CB 3.24Å; V1127-L1131 WeakPolarHBondContact O-CG 3.28Å; V1127-L1131 PolarHBondContact O-N 3.06Å; V1127-L1131 VanDerWaalsContact O-N 3.11Å |
| 1128 | F | 91.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 179.2 | 178.8 | -113.7 | 0 | 0 | 0 | 112.2 | I1052 L1055 L1093 I1100 L1101 F1104 S1124 L1125 K1130 L1131 L1132 F1144 | I1052-F1128 HydrophobicContact CD1-CE2 4.28Å; I1052-F1128 HydrophobicContact CG2-CB 4.49Å; I1052-F1128 HydrophobicContact CG2-CD2 4.19Å; I1052-F1128 HydrophobicContact CG2-CG 4.39Å; L1055-F1128 HydrophobicContact CD1-CB 3.93Å; L1055-F1128 HydrophobicContact CD1-CD2 4.31Å; L1093-F1128 HydrophobicContact CB-CE2 4.48Å; L1093-F1128 HydrophobicContact CD1-CE2 4.36Å; I1100-F1128 HydrophobicContact CB-CE1 4.43Å; I1100-F1128 HydrophobicContact CB-CZ 4.14Å; I1100-F1128 HydrophobicContact CD1-CE2 3.96Å; I1100-F1128 HydrophobicContact CD1-CZ 3.72Å; I1100-F1128 HydrophobicContact CG1-CZ 4.47Å; I1100-F1128 HydrophobicContact CG2-CD1 4.36Å; I1100-F1128 HydrophobicContact CG2-CE1 3.74Å; I1100-F1128 HydrophobicContact CG2-CE2 4.13Å; I1100-F1128 HydrophobicContact CG2-CZ 3.61Å; L1101-F1128 HydrophobicContact CD2-CE1 4.44Å; F1104-F1128 HydrophobicContact CE2-CD1 4.18Å; F1104-F1128 HydrophobicContact CE2-CG 4.42Å; S1124-F1128 VanDerWaalsContact O-CB 3.29Å; S1124-F1128 WeakPolarHBondContact O-CB 3.37Å; S1124-F1128 PolarHBondContact O-N 3.2Å; L1125-F1128 HydrophobicContact CD1-CD1 4.44Å; L1125-F1128 WeakPolarHBondContact O-CB 3.33Å; L1125-F1128 PolarHBondContact O-N 3.24Å; L1125-F1128 VanDerWaalsContact O-N 3.16Å; F1128-K1130 VanDerWaalsContact C-N 3.28Å; F1128-K1130 PolarHBondContact O-N 2.94Å; F1128-L1131 WeakPolarHBondContact O-CB 3.36Å; F1128-L1131 PolarHBondContact O-N 3.18Å; F1128-L1132 HydrophobicContact CD1-CD1 3.95Å; F1128-L1132 HydrophobicContact CD2-CD1 4.38Å; F1128-L1132 HydrophobicContact CD2-CG 4.49Å; F1128-L1132 HydrophobicContact CE1-CD1 3.4Å; F1128-L1132 VanDerWaalsContact CE1-CD1 3.44Å; F1128-L1132 HydrophobicContact CE1-CG 4.39Å; F1128-L1132 HydrophobicContact CE2-CD1 3.96Å; F1128-L1132 HydrophobicContact CE2-CD2 4.3Å; F1128-L1132 HydrophobicContact CE2-CG 4.1Å; F1128-L1132 HydrophobicContact CG-CD1 4.41Å; F1128-L1132 HydrophobicContact CZ-CD1 3.4Å; F1128-L1132 VanDerWaalsContact CZ-CD1 3.44Å; F1128-L1132 HydrophobicContact CZ-CD2 4.39Å; F1128-L1132 HydrophobicContact CZ-CG 3.99Å; F1128-L1132 PolarHBondContact O-N 3.19Å; F1128-L1132 VanDerWaalsContact O-N 3.09Å; F1128-F1144 HydrophobicContact CD1-CE1 4.4Å; F1128-F1144 HydrophobicContact CD1-CZ 4.49Å; F1128-F1144 HydrophobicContact CE1-CE1 4.39Å; F1128-F1144 HydrophobicContact CE1-CZ 4.25Å |
| 1129 | I | 90.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.6 | -44.3 | 175.7 | -68.3 | 164.6 | 0 | 0 | 0 | 110.7 | L1125 L1131 V1137 F1144 L1148 F1170 M1173 | L1125-I1129 HydrophobicContact CD1-CD1 4.41Å; L1125-I1129 HydrophobicContact CD1-CG1 4.44Å; L1125-I1129 HydrophobicContact CG-CD1 4.13Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.36Å; L1125-I1129 PolarHBondContact O-N 3.12Å; I1129-L1131 VanDerWaalsContact C-N 3.27Å; I1129-L1131 PolarHBondContact O-N 3.3Å; I1129-V1137 HydrophobicContact CG2-CG2 4.26Å; I1129-F1144 HydrophobicContact CD1-CD1 4.37Å; I1129-F1144 HydrophobicContact CD1-CE1 4.42Å; I1129-F1144 HydrophobicContact CG1-CD1 4.01Å; I1129-F1144 HydrophobicContact CG1-CE1 3.69Å; I1129-F1144 HydrophobicContact CG1-CZ 4.48Å; I1129-L1148 HydrophobicContact CD1-CD2 4.34Å; I1129-F1170 HydrophobicContact CD1-CB 4.49Å; I1129-F1170 HydrophobicContact CG2-CB 4.43Å; I1129-M1173 HydrophobicContact CG2-CG 4.18Å |
| 1130 | K | 88.8 | Confident | 87.3 | Confident | 118.4 Ų | 118.4 | 29.5 Ų | 29.5 | 52% | 0.515 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -69 | -26.2 | 177.9 | -66.4 | -179.5 | -174.9 | -176 | 0 | 113.6 | V1126 V1127 F1128 S1169 | V1126-K1130 WeakPolarHBondContact O-CG 3.44Å; V1126-K1130 PolarHBondContact O-N 3.08Å; V1127-K1130 PolarHBondContact O-N 3.11Å; F1128-K1130 VanDerWaalsContact C-N 3.28Å; F1128-K1130 PolarHBondContact O-N 2.94Å; K1130-S1169 WeakPolarHBondContact CE-OG 3.45Å |
| 1131 | L | 86.3 | Confident | 87.6 | Confident | 29 Ų | 29 | 29.8 Ų | 29.8 | 15% | 0.152 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -81.6 | -32.9 | -177.5 | -158.2 | 149.5 | 0 | 0 | 0 | 112.2 | L1055 C1063 L1089 A1090 L1093 V1127 F1128 I1129 G1133 | L1055-L1131 HydrophobicContact CD1-CD1 3.85Å; L1055-L1131 HydrophobicContact CD2-CD1 4.23Å; L1055-L1131 HydrophobicContact CG-CD1 4.35Å; C1063-L1131 VanDerWaalsContact SG-CD1 3.55Å; L1089-L1131 HydrophobicContact CD2-CD1 4.29Å; L1089-L1131 HydrophobicContact CD2-CD2 4.09Å; L1089-L1131 HydrophobicContact CD2-CG 4.48Å; L1089-L1131 HydrophobicContact CG-CD2 4.25Å; A1090-L1131 WeakPolarHBondContact CB-O 3.41Å; L1093-L1131 HydrophobicContact CD1-CD2 3.17Å; V1127-L1131 HydrophobicContact CG1-CD1 4.02Å; V1127-L1131 HydrophobicContact CG1-CG 4.32Å; V1127-L1131 WeakPolarHBondContact O-CB 3.24Å; V1127-L1131 WeakPolarHBondContact O-CG 3.28Å; V1127-L1131 PolarHBondContact O-N 3.06Å; V1127-L1131 VanDerWaalsContact O-N 3.11Å; F1128-L1131 WeakPolarHBondContact O-CB 3.36Å; F1128-L1131 PolarHBondContact O-N 3.18Å; I1129-L1131 VanDerWaalsContact C-N 3.27Å; I1129-L1131 PolarHBondContact O-N 3.3Å; L1131-G1133 VanDerWaalsContact C-N 3.34Å |
| 1132 | L | 86.1 | Confident | 87.4 | Confident | 2.6 Ų | 2.6 | 30.7 Ų | 30.7 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.1 | -29.9 | 176.4 | -95.6 | 149.7 | 0 | 0 | 0 | 113.4 | L1093 V1097 F1128 H1136 V1137 F1144 | L1093-L1132 HydrophobicContact CB-CD1 4.19Å; L1093-L1132 HydrophobicContact CB-CD2 3.97Å; V1097-L1132 HydrophobicContact CG1-CD1 4.47Å; V1097-L1132 HydrophobicContact CG1-CD2 4.2Å; V1097-L1132 HydrophobicContact CG2-CD1 3.92Å; V1097-L1132 HydrophobicContact CG2-CD2 3.59Å; V1097-L1132 VanDerWaalsContact CG2-CD2 3.48Å; V1097-L1132 HydrophobicContact CG2-CG 4.43Å; F1128-L1132 HydrophobicContact CD1-CD1 3.95Å; F1128-L1132 HydrophobicContact CD2-CD1 4.38Å; F1128-L1132 HydrophobicContact CD2-CG 4.49Å; F1128-L1132 HydrophobicContact CE1-CD1 3.4Å; F1128-L1132 VanDerWaalsContact CE1-CD1 3.44Å; F1128-L1132 HydrophobicContact CE1-CG 4.39Å; F1128-L1132 HydrophobicContact CE2-CD1 3.96Å; F1128-L1132 HydrophobicContact CE2-CD2 4.3Å; F1128-L1132 HydrophobicContact CE2-CG 4.1Å; F1128-L1132 HydrophobicContact CG-CD1 4.41Å; F1128-L1132 HydrophobicContact CZ-CD1 3.4Å; F1128-L1132 VanDerWaalsContact CZ-CD1 3.44Å; F1128-L1132 HydrophobicContact CZ-CD2 4.39Å; F1128-L1132 HydrophobicContact CZ-CG 3.99Å; F1128-L1132 PolarHBondContact O-N 3.19Å; F1128-L1132 VanDerWaalsContact O-N 3.09Å; L1132-H1136 HydrophobicContact CB-CB 4.36Å; L1132-H1136 HydrophobicContact CD1-CB 3.57Å; L1132-H1136 HydrophobicContact CD2-CB 4.04Å; L1132-H1136 HydrophobicContact CG-CB 3.5Å; L1132-H1136 VanDerWaalsContact CG-CB 3.5Å; L1132-V1137 HydrophobicContact CB-CG2 4.03Å; L1132-V1137 HydrophobicContact CD2-CG2 3.89Å; L1132-V1137 HydrophobicContact CG-CG2 4.2Å; L1132-F1144 HydrophobicContact CD1-CE1 4.45Å; L1132-F1144 HydrophobicContact CD1-CE2 4.28Å; L1132-F1144 HydrophobicContact CD1-CZ 3.56Å; L1132-F1144 HydrophobicContact CD2-CE2 3.81Å; L1132-F1144 HydrophobicContact CD2-CZ 3.63Å |
| 1133 | G | 84.9 | Confident | 87.4 | Confident | 23 Ų | 23 | 31.7 Ų | 31.7 | 24% | 0.237 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | 75.5 | 178.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1131 N1135 V1137 | L1131-G1133 VanDerWaalsContact C-N 3.34Å; G1133-N1135 PolarHBondContact O-N 3.02Å; G1133-V1137 WeakPolarHBondContact O-CB 3.36Å; G1133-V1137 WeakPolarHBondContact O-CG2 3.39Å; G1133-V1137 PolarHBondContact O-N 3.09Å |
| 1134 | S | 86 | Confident | 87.5 | Confident | 48.4 Ų | 48.4 | 28.9 Ų | 28.9 | 34% | 0.338 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.4 | -44.8 | -169.5 | 50.8 | 0 | 0 | 0 | 0 | 114 | H1136 V1137 T1138 M1173 | S1134-H1136 PolarHBondContact O-N 3.13Å; S1134-V1137 PolarHBondContact O-N 3.17Å; S1134-T1138 VanDerWaalsContact O-CB 3.28Å; S1134-T1138 WeakPolarHBondContact O-CB 3.39Å; S1134-T1138 PolarHBondContact O-N 3.08Å; S1134-T1138 PolarHBondContact O-OG1 3.1Å; S1134-M1173 WeakPolarHBondContact CA-O 3.34Å; S1134-M1173 VanDerWaalsContact CB-O 3.23Å; S1134-M1173 WeakPolarHBondContact CB-O 3.3Å |
| 1135 | N | 84.3 | Confident | 87.3 | Confident | 92.4 Ų | 92.4 | 29.1 Ų | 29.1 | 49% | 0.494 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.8 | -48.7 | -171 | -58 | 10.6 | 0 | 0 | 0 | 111.8 | G1133 R1139 E1175 | G1133-N1135 PolarHBondContact O-N 3.02Å; N1135-R1139 VanDerWaalsContact O-CB 3.32Å; N1135-R1139 WeakPolarHBondContact O-CB 3.32Å; N1135-R1139 PolarHBondContact O-N 3.08Å; N1135-R1139 VanDerWaalsContact O-N 3.11Å; N1135-E1175 PolarHBondContact OD1-OE1 3.33Å |
| 1136 | H | 84.6 | Confident | 86.9 | Confident | 27.4 Ų | 27.4 | 29.7 Ų | 29.7 | 13% | 0.127 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.7 | -35.4 | -178.5 | -65.6 | -65.2 | 0 | 0 | 0 | 112.4 | D1091 L1132 S1134 R1139 M1140 | D1091-H1136 WeakPolarHBondContact CA-NE2 3.29Å; D1091-H1136 IonicContact OD1-CD2 3.14Å; D1091-H1136 IonicContact OD1-CE1 3.49Å; D1091-H1136 IonicContact OD1-NE2 3.17Å; D1091-H1136 PolarHBondContact OD1-NE2 3.13Å; L1132-H1136 HydrophobicContact CB-CB 4.36Å; L1132-H1136 HydrophobicContact CD1-CB 3.57Å; L1132-H1136 HydrophobicContact CD2-CB 4.04Å; L1132-H1136 HydrophobicContact CG-CB 3.5Å; L1132-H1136 VanDerWaalsContact CG-CB 3.5Å; S1134-H1136 PolarHBondContact O-N 3.13Å; H1136-R1139 PolarHBondContact O-N 2.82Å; H1136-M1140 WeakPolarHBondContact O-CB 3.35Å; H1136-M1140 WeakPolarHBondContact O-CG 3.15Å; H1136-M1140 PolarHBondContact O-N 3.1Å; H1136-M1140 VanDerWaalsContact O-N 3.1Å |
| 1137 | V | 87.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | I1129 L1132 G1133 S1134 M1140 R1141 F1144 F1170 M1173 L1174 | I1129-V1137 HydrophobicContact CG2-CG2 4.26Å; L1132-V1137 HydrophobicContact CB-CG2 4.03Å; L1132-V1137 HydrophobicContact CD2-CG2 3.89Å; L1132-V1137 HydrophobicContact CG-CG2 4.2Å; G1133-V1137 WeakPolarHBondContact O-CB 3.36Å; G1133-V1137 WeakPolarHBondContact O-CG2 3.39Å; G1133-V1137 PolarHBondContact O-N 3.09Å; S1134-V1137 PolarHBondContact O-N 3.17Å; V1137-M1140 CarbonylContact O-C 3.52Å; V1137-M1140 PolarHBondContact O-N 3.11Å; V1137-R1141 WeakPolarHBondContact O-CA 3.42Å; V1137-R1141 PolarHBondContact O-N 3.09Å; V1137-F1144 HydrophobicContact CB-CE2 4.36Å; V1137-F1144 HydrophobicContact CG1-CD2 4.18Å; V1137-F1144 HydrophobicContact CG1-CE2 4.41Å; V1137-F1144 HydrophobicContact CG2-CE2 4.1Å; V1137-F1144 HydrophobicContact CG2-CZ 4.31Å; V1137-F1170 HydrophobicContact CG1-CD2 3.63Å; V1137-F1170 HydrophobicContact CG1-CE2 3.78Å; V1137-M1173 HydrophobicContact CB-CB 4.13Å; V1137-M1173 HydrophobicContact CG1-CB 3.98Å; V1137-M1173 HydrophobicContact CG2-CB 4.3Å; V1137-L1174 HydrophobicContact CG1-CD2 4.46Å |
| 1138 | T | 87 | Confident | 86.8 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 177.1 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | S1134 M1140 R1141 M1173 E1175 S1178 | S1134-T1138 VanDerWaalsContact O-CB 3.28Å; S1134-T1138 WeakPolarHBondContact O-CB 3.39Å; S1134-T1138 PolarHBondContact O-N 3.08Å; S1134-T1138 PolarHBondContact O-OG1 3.1Å; T1138-M1140 VanDerWaalsContact C-N 3.27Å; T1138-M1140 PolarHBondContact O-N 3.11Å; T1138-R1141 VanDerWaalsContact O-CB 3.28Å; T1138-R1141 WeakPolarHBondContact O-CB 3.39Å; T1138-R1141 WeakPolarHBondContact O-CD 3.35Å; T1138-R1141 VanDerWaalsContact O-CG 3.25Å; T1138-R1141 WeakPolarHBondContact O-CG 3.3Å; T1138-R1141 PolarHBondContact O-N 3.18Å; T1138-R1141 PolarHBondContact O-NH1 3.17Å; T1138-R1141 VanDerWaalsContact O-NH1 3.15Å; T1138-M1173 PolarHBondContact OG1-O 2.96Å; T1138-E1175 HydrophobicContact CG2-CB 3.87Å; T1138-E1175 HydrophobicContact CG2-CG 4.15Å; T1138-E1175 WeakPolarHBondContact OG1-CG 3.34Å; T1138-E1175 PolarHBondContact OG1-N 3.19Å; T1138-E1175 VanDerWaalsContact OG1-N 3.11Å; T1138-S1178 WeakPolarHBondContact CG2-OG 3.38Å |
| 1139 | R | 84.9 | Confident | 86.5 | Confident | 133.6 Ų | 133.6 | 30 Ų | 30 | 50% | 0.504 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.4 | -35.9 | 176.6 | -173.1 | 176.7 | -163.6 | -178.8 | -1.1 | 112.5 | N1135 H1136 P1494 | N1135-R1139 VanDerWaalsContact O-CB 3.32Å; N1135-R1139 WeakPolarHBondContact O-CB 3.32Å; N1135-R1139 PolarHBondContact O-N 3.08Å; N1135-R1139 VanDerWaalsContact O-N 3.11Å; H1136-R1139 PolarHBondContact O-N 2.82Å; R1139-P1494 HydrophobicContact CG-CG 4.1Å |
| 1140 | M | 86 | Confident | 86.2 | Confident | 17.6 Ų | 17.6 | 30.7 Ų | 30.7 | 9% | 0.087 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 21 | -179.4 | -65.1 | -57.7 | -53.1 | 0 | 0 | 113.4 | V1097 C1098 H1136 V1137 T1138 A1142 K1143 F1144 P1494 | V1097-M1140 HydrophobicContact CB-CG 4.28Å; V1097-M1140 HydrophobicContact CG1-CB 4.12Å; V1097-M1140 HydrophobicContact CG1-CG 3.98Å; C1098-M1140 WeakPolarHBondContact SG-CE 3.31Å; H1136-M1140 WeakPolarHBondContact O-CB 3.35Å; H1136-M1140 WeakPolarHBondContact O-CG 3.15Å; H1136-M1140 PolarHBondContact O-N 3.1Å; H1136-M1140 VanDerWaalsContact O-N 3.1Å; V1137-M1140 CarbonylContact O-C 3.52Å; V1137-M1140 PolarHBondContact O-N 3.11Å; T1138-M1140 VanDerWaalsContact C-N 3.27Å; T1138-M1140 PolarHBondContact O-N 3.11Å; M1140-A1142 VanDerWaalsContact C-N 3.32Å; M1140-A1142 PolarHBondContact O-N 3.25Å; M1140-A1142 VanDerWaalsContact O-N 3.16Å; M1140-K1143 HydrophobicContact CE-CB 3.99Å; M1140-K1143 HydrophobicContact CE-CD 3.94Å; M1140-K1143 VanDerWaalsContact CE-CD 3.43Å; M1140-K1143 HydrophobicContact CE-CG 3.83Å; M1140-K1143 PolarHBondContact O-N 3.08Å; M1140-K1143 VanDerWaalsContact O-N 3.09Å; M1140-F1144 HydrophobicContact CB-CD2 4.02Å; M1140-F1144 HydrophobicContact CB-CE2 3.98Å; M1140-F1144 WeakPolarHBondContact O-CD2 3.4Å; M1140-F1144 PolarHBondContact O-N 2.85Å; M1140-F1144 VanDerWaalsContact O-N 3.13Å; M1140-P1494 HydrophobicContact SD-CB 3.74Å; M1140-P1494 WeakPolarHBondContact SD-CB 3.38Å; M1140-P1494 HydrophobicContact SD-CG 4.1Å |
| 1141 | R | 88.4 | Confident | 85.9 | Confident | 27 Ų | 27 | 25 Ų | 25 | 10% | 0.102 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54 | -42 | -170.2 | 62.8 | -171.8 | 178.6 | -94.6 | 5.9 | 114.3 | V1137 T1138 K1143 F1144 M1145 F1170 L1174 S1178 E1181 L1182 | V1137-R1141 WeakPolarHBondContact O-CA 3.42Å; V1137-R1141 PolarHBondContact O-N 3.09Å; T1138-R1141 VanDerWaalsContact O-CB 3.28Å; T1138-R1141 WeakPolarHBondContact O-CB 3.39Å; T1138-R1141 WeakPolarHBondContact O-CD 3.35Å; T1138-R1141 VanDerWaalsContact O-CG 3.25Å; T1138-R1141 WeakPolarHBondContact O-CG 3.3Å; T1138-R1141 PolarHBondContact O-N 3.18Å; T1138-R1141 PolarHBondContact O-NH1 3.17Å; T1138-R1141 VanDerWaalsContact O-NH1 3.15Å; R1141-K1143 VanDerWaalsContact C-N 3.34Å; R1141-K1143 PolarHBondContact O-N 3.04Å; R1141-F1144 PolarHBondContact O-N 3.16Å; R1141-M1145 VanDerWaalsContact O-CB 3.32Å; R1141-M1145 WeakPolarHBondContact O-CB 3.35Å; R1141-M1145 VanDerWaalsContact O-CG 3.26Å; R1141-M1145 WeakPolarHBondContact O-CG 3.32Å; R1141-M1145 PolarHBondContact O-N 3.19Å; R1141-F1170 HydrophobicContact CB-CZ 4.36Å; R1141-L1174 HydrophobicContact CB-CD2 3.95Å; R1141-S1178 VanDerWaalsContact CD-CB 3.48Å; R1141-S1178 WeakPolarHBondContact CD-OG 3.36Å; R1141-S1178 PolarHBondContact NE-OG 3.13Å; R1141-S1178 PolarHBondContact NH1-OG 3.33Å; R1141-E1181 IonicContact CZ-OE2 3.27Å; R1141-E1181 VanDerWaalsContact CZ-OE2 3.27Å; R1141-E1181 IonicContact NE-OE2 3.16Å; R1141-E1181 PolarHBondContact NE-OE2 3.05Å; R1141-E1181 VanDerWaalsContact NE-OE2 3.12Å; R1141-E1181 IonicContact NH2-OE1 3.18Å; R1141-E1181 IonicContact NH2-OE2 2.8Å; R1141-E1181 PolarHBondContact NH2-OE2 3.27Å; R1141-L1182 HydrophobicContact CB-CD1 3.98Å; R1141-L1182 HydrophobicContact CG-CD1 4.07Å |
| 1142 | A | 83.7 | Confident | 85.7 | Confident | 19 Ų | 19 | 25.8 Ų | 25.8 | 16% | 0.157 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1140 M1145 A1146 Y1424 L1425 L1433 L1491 | M1140-A1142 VanDerWaalsContact C-N 3.32Å; M1140-A1142 PolarHBondContact O-N 3.25Å; M1140-A1142 VanDerWaalsContact O-N 3.16Å; A1142-M1145 WeakPolarHBondContact O-CB 3.32Å; A1142-M1145 PolarHBondContact O-N 3.26Å; A1142-A1146 PolarHBondContact O-N 3.17Å; A1142-A1146 VanDerWaalsContact O-N 3.09Å; A1142-Y1424 HydrophobicContact CB-CD1 3.92Å; A1142-Y1424 HydrophobicContact CB-CE1 3.44Å; A1142-Y1424 VanDerWaalsContact CB-CE1 3.43Å; A1142-Y1424 HydrophobicContact CB-CE2 4.48Å; A1142-Y1424 HydrophobicContact CB-CG 4.44Å; A1142-L1425 HydrophobicContact CB-CD2 4.36Å; A1142-L1433 VanDerWaalsContact C-CD1 3.44Å; A1142-L1433 HydrophobicContact CB-CD1 4.25Å; A1142-L1433 VanDerWaalsContact O-CD1 3.25Å; A1142-L1433 WeakPolarHBondContact O-CD1 3.42Å; A1142-L1491 HydrophobicContact CB-CD1 4.32Å |
| 1143 | K | 85.6 | Confident | 85.2 | Confident | 22.6 Ų | 22.6 | 33.2 Ų | 33.2 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71 | -40.3 | 179.6 | -150.2 | 174 | -175.6 | 152.1 | 0 | 112.1 | C1098 L1101 M1140 R1141 M1145 A1146 N1147 L1433 D1434 Y1500 | C1098-K1143 HydrophobicContact CB-CD 4.47Å; C1098-K1143 VanDerWaalsContact O-CE 3.25Å; C1098-K1143 WeakPolarHBondContact O-CE 3.39Å; C1098-K1143 PolarHBondContact O-NZ 3.34Å; C1098-K1143 PolarHBondContact SG-NZ 3.09Å; L1101-K1143 HydrophobicContact CB-CD 4.09Å; L1101-K1143 HydrophobicContact CB-CG 4.17Å; L1101-K1143 HydrophobicContact CD1-CB 3.96Å; L1101-K1143 HydrophobicContact CD1-CD 4.05Å; L1101-K1143 HydrophobicContact CD1-CG 3.69Å; M1140-K1143 HydrophobicContact CE-CB 3.99Å; M1140-K1143 HydrophobicContact CE-CD 3.94Å; M1140-K1143 VanDerWaalsContact CE-CD 3.43Å; M1140-K1143 HydrophobicContact CE-CG 3.83Å; M1140-K1143 PolarHBondContact O-N 3.08Å; M1140-K1143 VanDerWaalsContact O-N 3.09Å; R1141-K1143 VanDerWaalsContact C-N 3.34Å; R1141-K1143 PolarHBondContact O-N 3.04Å; K1143-M1145 VanDerWaalsContact C-N 3.33Å; K1143-M1145 PolarHBondContact O-N 3.36Å; K1143-A1146 PolarHBondContact O-N 3.12Å; K1143-N1147 WeakPolarHBondContact O-CB 3.31Å; K1143-N1147 PolarHBondContact O-N 3.16Å; K1143-L1433 HydrophobicContact CB-CD1 4.38Å; K1143-L1433 HydrophobicContact CB-CD2 4.31Å; K1143-L1433 HydrophobicContact CD-CD2 4.39Å; K1143-L1433 HydrophobicContact CG-CD2 4.18Å; K1143-D1434 IonicContact NZ-OD1 2.86Å; K1143-D1434 PolarHBondContact NZ-OD1 3.07Å; K1143-D1434 VanDerWaalsContact NZ-OD1 3.16Å; K1143-Y1500 PolarHBondContact NZ-OH 3.4Å |
| 1144 | F | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 171.9 | -82 | -70 | 0 | 0 | 0 | 111.9 | V1097 L1101 F1128 I1129 L1132 V1137 M1140 R1141 A1146 N1147 L1148 F1170 | V1097-F1144 HydrophobicContact CG1-CE2 3.92Å; V1097-F1144 HydrophobicContact CG1-CZ 3.96Å; L1101-F1144 HydrophobicContact CD1-CD1 4.05Å; L1101-F1144 HydrophobicContact CD1-CD2 4.25Å; L1101-F1144 HydrophobicContact CD1-CE1 4Å; L1101-F1144 HydrophobicContact CD1-CE2 4.18Å; L1101-F1144 HydrophobicContact CD1-CG 4.16Å; L1101-F1144 HydrophobicContact CD1-CZ 4.04Å; L1101-F1144 HydrophobicContact CD2-CD1 4Å; L1101-F1144 HydrophobicContact CD2-CE1 3.69Å; L1101-F1144 HydrophobicContact CD2-CZ 4.32Å; L1101-F1144 HydrophobicContact CG-CE1 4.34Å; F1128-F1144 HydrophobicContact CD1-CE1 4.4Å; F1128-F1144 HydrophobicContact CD1-CZ 4.49Å; F1128-F1144 HydrophobicContact CE1-CE1 4.39Å; F1128-F1144 HydrophobicContact CE1-CZ 4.25Å; I1129-F1144 HydrophobicContact CD1-CD1 4.37Å; I1129-F1144 HydrophobicContact CD1-CE1 4.42Å; I1129-F1144 HydrophobicContact CG1-CD1 4.01Å; I1129-F1144 HydrophobicContact CG1-CE1 3.69Å; I1129-F1144 HydrophobicContact CG1-CZ 4.48Å; L1132-F1144 HydrophobicContact CD1-CE1 4.45Å; L1132-F1144 HydrophobicContact CD1-CE2 4.28Å; L1132-F1144 HydrophobicContact CD1-CZ 3.56Å; L1132-F1144 HydrophobicContact CD2-CE2 3.81Å; L1132-F1144 HydrophobicContact CD2-CZ 3.63Å; V1137-F1144 HydrophobicContact CB-CE2 4.36Å; V1137-F1144 HydrophobicContact CG1-CD2 4.18Å; V1137-F1144 HydrophobicContact CG1-CE2 4.41Å; V1137-F1144 HydrophobicContact CG2-CE2 4.1Å; V1137-F1144 HydrophobicContact CG2-CZ 4.31Å; M1140-F1144 HydrophobicContact CB-CD2 4.02Å; M1140-F1144 HydrophobicContact CB-CE2 3.98Å; M1140-F1144 WeakPolarHBondContact O-CD2 3.4Å; M1140-F1144 PolarHBondContact O-N 2.85Å; M1140-F1144 VanDerWaalsContact O-N 3.13Å; R1141-F1144 PolarHBondContact O-N 3.16Å; F1144-A1146 VanDerWaalsContact C-N 3.33Å; F1144-A1146 PolarHBondContact O-N 3.13Å; F1144-N1147 PolarHBondContact O-N 3.12Å; F1144-L1148 WeakPolarHBondContact O-CB 3.31Å; F1144-L1148 VanDerWaalsContact O-CG 3.26Å; F1144-L1148 WeakPolarHBondContact O-CG 3.27Å; F1144-L1148 PolarHBondContact O-N 3.03Å; F1144-F1170 HydrophobicContact CB-CD2 3.72Å; F1144-F1170 HydrophobicContact CB-CE2 3.34Å; F1144-F1170 HydrophobicContact CB-CZ 4.04Å; F1144-F1170 HydrophobicContact CD2-CE2 4.43Å; F1144-F1170 HydrophobicContact CG-CD2 4.2Å; F1144-F1170 HydrophobicContact CG-CE2 4.08Å |
| 1145 | M | 86.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.02 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 176.4 | -159.1 | 82 | 42.8 | 0 | 0 | 111.6 | R1141 A1142 K1143 L1148 K1149 W1167 F1170 L1182 D1185 L1186 | R1141-M1145 VanDerWaalsContact O-CB 3.32Å; R1141-M1145 WeakPolarHBondContact O-CB 3.35Å; R1141-M1145 VanDerWaalsContact O-CG 3.26Å; R1141-M1145 WeakPolarHBondContact O-CG 3.32Å; R1141-M1145 PolarHBondContact O-N 3.19Å; A1142-M1145 WeakPolarHBondContact O-CB 3.32Å; A1142-M1145 PolarHBondContact O-N 3.26Å; K1143-M1145 VanDerWaalsContact C-N 3.33Å; K1143-M1145 PolarHBondContact O-N 3.36Å; M1145-L1148 PolarHBondContact O-N 2.86Å; M1145-K1149 HydrophobicContact CG-CD 4.37Å; M1145-K1149 WeakPolarHBondContact O-CB 3.4Å; M1145-K1149 VanDerWaalsContact O-CG 3.27Å; M1145-K1149 WeakPolarHBondContact O-CG 3.26Å; M1145-K1149 PolarHBondContact O-N 3.26Å; M1145-W1167 HydrophobicContact CE-CH2 4.32Å; M1145-W1167 HydrophobicContact CE-CZ3 4.45Å; M1145-W1167 HydrophobicContact CG-CH2 4.23Å; M1145-W1167 HydrophobicContact SD-CH2 3.51Å; M1145-W1167 WeakPolarHBondContact SD-CH2 3.42Å; M1145-W1167 HydrophobicContact SD-CZ3 3.53Å; M1145-W1167 VanDerWaalsContact SD-CZ3 3.54Å; M1145-W1167 WeakPolarHBondContact SD-CZ3 3.32Å; M1145-F1170 HydrophobicContact CE-CE1 3.99Å; M1145-F1170 HydrophobicContact CE-CZ 4.45Å; M1145-F1170 HydrophobicContact CG-CE1 3.94Å; M1145-F1170 HydrophobicContact CG-CZ 3.88Å; M1145-F1170 HydrophobicContact SD-CD1 4.47Å; M1145-F1170 HydrophobicContact SD-CE1 4.15Å; M1145-F1170 VanDerWaalsContact SD-CE1 3.56Å; M1145-F1170 HydrophobicContact SD-CZ 4.14Å; M1145-L1182 HydrophobicContact CE-CB 3.97Å; M1145-L1182 HydrophobicContact CE-CD1 3.81Å; M1145-L1182 HydrophobicContact CE-CD2 3.93Å; M1145-L1182 HydrophobicContact CE-CG 4.12Å; M1145-L1182 HydrophobicContact CG-CD1 4.22Å; M1145-L1182 HydrophobicContact SD-CD2 4.38Å; M1145-D1185 HydrophobicContact CE-CB 4.07Å; M1145-D1185 HydrophobicContact SD-CB 4.42Å; M1145-L1186 HydrophobicContact CE-CD2 3.97Å; M1145-L1186 HydrophobicContact CE-CG 4.23Å; M1145-L1186 HydrophobicContact SD-CD2 4.19Å |
| 1146 | A | 84.4 | Confident | 83.1 | Confident | 12.6 Ų | 12.6 | 33.4 Ų | 33.4 | 10% | 0.104 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1142 K1143 F1144 L1148 K1149 I1150 L1433 | A1142-A1146 PolarHBondContact O-N 3.17Å; A1142-A1146 VanDerWaalsContact O-N 3.09Å; K1143-A1146 PolarHBondContact O-N 3.12Å; F1144-A1146 VanDerWaalsContact C-N 3.33Å; F1144-A1146 PolarHBondContact O-N 3.13Å; A1146-L1148 VanDerWaalsContact C-N 3.34Å; A1146-L1148 PolarHBondContact O-N 3.14Å; A1146-K1149 WeakPolarHBondContact O-CB 3.21Å; A1146-K1149 PolarHBondContact O-N 3.19Å; A1146-I1150 WeakPolarHBondContact O-CG1 3.22Å; A1146-I1150 PolarHBondContact O-N 3.17Å; A1146-I1150 VanDerWaalsContact O-N 3.11Å; A1146-L1433 HydrophobicContact CB-CB 4.24Å; A1146-L1433 HydrophobicContact CB-CD1 3.5Å; A1146-L1433 VanDerWaalsContact CB-CD1 3.43Å; A1146-L1433 HydrophobicContact CB-CG 4.46Å |
| 1147 | N | 87.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 177.4 | 177.6 | -92.4 | 0 | 0 | 0 | 111.9 | L1101 D1105 L1125 K1143 F1144 K1149 I1150 C1151 | L1101-N1147 HydrophobicContact CD2-CB 4.31Å; D1105-N1147 PolarHBondContact OD1-ND2 3.34Å; L1125-N1147 WeakPolarHBondContact CD2-OD1 3.27Å; K1143-N1147 WeakPolarHBondContact O-CB 3.31Å; K1143-N1147 PolarHBondContact O-N 3.16Å; F1144-N1147 PolarHBondContact O-N 3.12Å; N1147-K1149 VanDerWaalsContact C-N 3.34Å; N1147-K1149 PolarHBondContact O-N 3.12Å; N1147-I1150 WeakPolarHBondContact O-CB 3.38Å; N1147-I1150 PolarHBondContact O-N 3.25Å; N1147-I1150 VanDerWaalsContact O-N 3.14Å; N1147-C1151 PolarHBondContact O-N 3.2Å; N1147-C1151 PolarHBondContact O-SG 3.14Å |
| 1148 | L | 88.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.6 | -31.7 | 176.8 | -68.5 | 173.2 | 0 | 0 | 0 | 112.8 | L1125 I1129 F1144 M1145 A1146 I1150 C1151 M1152 A1166 W1167 F1170 | L1125-L1148 HydrophobicContact CD2-CD2 4.16Å; I1129-L1148 HydrophobicContact CD1-CD2 4.34Å; F1144-L1148 WeakPolarHBondContact O-CB 3.31Å; F1144-L1148 VanDerWaalsContact O-CG 3.26Å; F1144-L1148 WeakPolarHBondContact O-CG 3.27Å; F1144-L1148 PolarHBondContact O-N 3.03Å; M1145-L1148 PolarHBondContact O-N 2.86Å; A1146-L1148 VanDerWaalsContact C-N 3.34Å; A1146-L1148 PolarHBondContact O-N 3.14Å; L1148-I1150 VanDerWaalsContact C-N 3.3Å; L1148-I1150 PolarHBondContact O-N 3.22Å; L1148-C1151 WeakPolarHBondContact O-CA 3.22Å; L1148-C1151 VanDerWaalsContact O-CB 3.27Å; L1148-C1151 WeakPolarHBondContact O-CB 3.19Å; L1148-C1151 PolarHBondContact O-N 3.13Å; L1148-C1151 VanDerWaalsContact O-N 3.1Å; L1148-M1152 PolarHBondContact O-N 3.11Å; L1148-A1166 HydrophobicContact CD2-CB 3.61Å; L1148-W1167 HydrophobicContact CB-CD2 4.17Å; L1148-W1167 HydrophobicContact CB-CE3 4.47Å; L1148-W1167 HydrophobicContact CB-CH2 3.82Å; L1148-W1167 HydrophobicContact CB-CZ2 3.42Å; L1148-W1167 VanDerWaalsContact CB-CZ2 3.43Å; L1148-W1167 HydrophobicContact CB-CZ3 4.34Å; L1148-W1167 HydrophobicContact CD1-CD2 4.1Å; L1148-W1167 HydrophobicContact CD1-CE3 3.97Å; L1148-W1167 HydrophobicContact CD1-CH2 4.43Å; L1148-W1167 HydrophobicContact CD1-CZ2 4.47Å; L1148-W1167 HydrophobicContact CD1-CZ3 4.15Å; L1148-F1170 HydrophobicContact CD1-CB 3.54Å; L1148-F1170 VanDerWaalsContact CD1-CB 3.48Å; L1148-F1170 HydrophobicContact CD1-CD1 3.68Å; L1148-F1170 HydrophobicContact CD1-CD2 4.22Å; L1148-F1170 HydrophobicContact CD1-CE1 4.41Å; L1148-F1170 HydrophobicContact CD1-CG 3.54Å; L1148-F1170 VanDerWaalsContact CD1-CG 3.48Å |
| 1149 | K | 85.6 | Confident | 80.7 | Confident | 45.4 Ų | 45.4 | 38.4 Ų | 38.4 | 20% | 0.197 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -33.3 | 171 | -77.4 | 174.6 | -178.4 | 174.2 | 0 | 111.9 | M1145 A1146 N1147 C1151 M1152 W1167 D1185 R1426 A1427 | M1145-K1149 HydrophobicContact CG-CD 4.37Å; M1145-K1149 WeakPolarHBondContact O-CB 3.4Å; M1145-K1149 VanDerWaalsContact O-CG 3.27Å; M1145-K1149 WeakPolarHBondContact O-CG 3.26Å; M1145-K1149 PolarHBondContact O-N 3.26Å; A1146-K1149 WeakPolarHBondContact O-CB 3.21Å; A1146-K1149 PolarHBondContact O-N 3.19Å; N1147-K1149 VanDerWaalsContact C-N 3.34Å; N1147-K1149 PolarHBondContact O-N 3.12Å; K1149-C1151 VanDerWaalsContact C-N 3.29Å; K1149-C1151 PolarHBondContact O-N 3.1Å; K1149-M1152 VanDerWaalsContact O-CB 3.23Å; K1149-M1152 WeakPolarHBondContact O-CB 3.29Å; K1149-M1152 VanDerWaalsContact O-CG 3.29Å; K1149-M1152 WeakPolarHBondContact O-CG 3.3Å; K1149-M1152 PolarHBondContact O-N 3.13Å; K1149-W1167 HydrophobicContact CG-CH2 4.45Å; K1149-W1167 HydrophobicContact CG-CZ2 4.41Å; K1149-D1185 IonicContact NZ-OD2 2.62Å; K1149-D1185 PolarHBondContact NZ-OD2 3.03Å; K1149-R1426 PolarHBondContact NZ-O 3.03Å; K1149-A1427 PolarHBondContact NZ-O 2.87Å |
| 1150 | I | 82.9 | Confident | 80.4 | Confident | 13.8 Ų | 13.8 | 32 Ų | 32 | 7% | 0.071 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 170.7 | -59.7 | 163.6 | 0 | 0 | 0 | 110.5 | D1105 L1108 L1109 A1146 N1147 L1148 M1152 R1153 P1430 | D1105-I1150 HydrophobicContact CB-CD1 4.05Å; D1105-I1150 VanDerWaalsContact OD1-CD1 3.22Å; D1105-I1150 WeakPolarHBondContact OD1-CD1 3.4Å; L1108-I1150 HydrophobicContact CB-CG2 4.12Å; L1109-I1150 HydrophobicContact CD1-CD1 4.26Å; L1109-I1150 HydrophobicContact CD2-CG1 4.44Å; L1109-I1150 HydrophobicContact CD2-CG2 3.7Å; L1109-I1150 HydrophobicContact CG-CD1 4.42Å; L1109-I1150 HydrophobicContact CG-CG2 4.06Å; A1146-I1150 WeakPolarHBondContact O-CG1 3.22Å; A1146-I1150 PolarHBondContact O-N 3.17Å; A1146-I1150 VanDerWaalsContact O-N 3.11Å; N1147-I1150 WeakPolarHBondContact O-CB 3.38Å; N1147-I1150 PolarHBondContact O-N 3.25Å; N1147-I1150 VanDerWaalsContact O-N 3.14Å; L1148-I1150 VanDerWaalsContact C-N 3.3Å; L1148-I1150 PolarHBondContact O-N 3.22Å; I1150-M1152 PolarHBondContact O-N 3.17Å; I1150-M1152 VanDerWaalsContact O-N 3.1Å; I1150-R1153 WeakPolarHBondContact O-CB 3.37Å; I1150-R1153 WeakPolarHBondContact O-CG 3.38Å; I1150-R1153 PolarHBondContact O-N 3.12Å; I1150-P1430 HydrophobicContact CD1-CB 4.22Å; I1150-P1430 HydrophobicContact CD1-CG 3.39Å; I1150-P1430 VanDerWaalsContact CD1-CG 3.43Å; I1150-P1430 HydrophobicContact CG1-CG 4.02Å |
| 1151 | C | 84.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -21.1 | 180 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | L1122 N1147 L1148 K1149 R1153 Y1154 V1163 | L1122-C1151 HydrophobicContact CD1-CB 3.86Å; L1122-C1151 VanDerWaalsContact CD1-SG 3.56Å; L1122-C1151 WeakPolarHBondContact CD1-SG 3.33Å; N1147-C1151 PolarHBondContact O-N 3.2Å; N1147-C1151 PolarHBondContact O-SG 3.14Å; L1148-C1151 WeakPolarHBondContact O-CA 3.22Å; L1148-C1151 VanDerWaalsContact O-CB 3.27Å; L1148-C1151 WeakPolarHBondContact O-CB 3.19Å; L1148-C1151 PolarHBondContact O-N 3.13Å; L1148-C1151 VanDerWaalsContact O-N 3.1Å; K1149-C1151 VanDerWaalsContact C-N 3.29Å; K1149-C1151 PolarHBondContact O-N 3.1Å; C1151-R1153 PolarHBondContact O-N 3.2Å; C1151-R1153 VanDerWaalsContact O-N 3.16Å; C1151-Y1154 WeakPolarHBondContact O-CB 3.14Å; C1151-Y1154 WeakPolarHBondContact O-CD2 3.29Å; C1151-Y1154 PolarHBondContact O-N 3.17Å; C1151-V1163 HydrophobicContact CB-CG1 4.02Å; C1151-V1163 HydrophobicContact CB-CG2 4.18Å; C1151-V1163 VanDerWaalsContact O-CG2 3.31Å; C1151-V1163 WeakPolarHBondContact O-CG2 3.37Å |
| 1152 | M | 80.6 | Confident | 80 | Confident | 46.4 Ų | 46.4 | 35 Ų | 35 | 23% | 0.229 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -62.3 | -18.3 | 175.4 | -60.9 | -67 | -62.4 | 0 | 0 | 113.8 | L1148 K1149 I1150 Y1154 N1155 V1163 W1167 T1189 L1193 | L1148-M1152 PolarHBondContact O-N 3.11Å; K1149-M1152 VanDerWaalsContact O-CB 3.23Å; K1149-M1152 WeakPolarHBondContact O-CB 3.29Å; K1149-M1152 VanDerWaalsContact O-CG 3.29Å; K1149-M1152 WeakPolarHBondContact O-CG 3.3Å; K1149-M1152 PolarHBondContact O-N 3.13Å; I1150-M1152 PolarHBondContact O-N 3.17Å; I1150-M1152 VanDerWaalsContact O-N 3.1Å; M1152-Y1154 PolarHBondContact O-N 3.32Å; M1152-N1155 WeakPolarHBondContact CA-OD1 3.41Å; M1152-N1155 PolarHBondContact O-ND2 3.11Å; M1152-N1155 PolarHBondContact O-OD1 3.42Å; M1152-V1163 HydrophobicContact SD-CG1 4.33Å; M1152-W1167 HydrophobicContact SD-CZ2 4.37Å; M1152-W1167 PolarHBondContact SD-NE1 2.75Å; M1152-T1189 HydrophobicContact CE-CG2 4.11Å; M1152-T1189 HydrophobicContact CG-CG2 4.47Å; M1152-T1189 HydrophobicContact SD-CG2 3.81Å; M1152-L1193 HydrophobicContact CE-CD1 4.37Å; M1152-L1193 HydrophobicContact CE-CD2 3.58Å; M1152-L1193 HydrophobicContact CE-CG 3.62Å; M1152-L1193 HydrophobicContact SD-CD1 3.95Å; M1152-L1193 HydrophobicContact SD-CD2 3.46Å; M1152-L1193 VanDerWaalsContact SD-CD2 3.54Å; M1152-L1193 WeakPolarHBondContact SD-CD2 3.31Å; M1152-L1193 HydrophobicContact SD-CG 3.7Å; M1152-L1193 VanDerWaalsContact SD-CG 3.56Å |
| 1153 | R | 76.5 | Confident | 80.2 | Confident | 157.4 Ų | 157.4 | 34.1 Ų | 34.1 | 59% | 0.594 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -64.3 | -18.9 | 171.7 | -54.8 | -178.8 | 175.5 | -172.9 | -2 | 112.6 | L1108 L1109 I1150 C1151 N1155 | L1108-R1153 VanDerWaalsContact CB-NH2 3.3Å; L1108-R1153 PolarHBondContact O-NH2 3.25Å; L1109-R1153 VanDerWaalsContact CA-NH2 3.33Å; L1109-R1153 VanDerWaalsContact CD2-NH1 3.3Å; I1150-R1153 WeakPolarHBondContact O-CB 3.37Å; I1150-R1153 WeakPolarHBondContact O-CG 3.38Å; I1150-R1153 PolarHBondContact O-N 3.12Å; C1151-R1153 PolarHBondContact O-N 3.2Å; C1151-R1153 VanDerWaalsContact O-N 3.16Å; R1153-N1155 PolarHBondContact O-N 3.2Å |
| 1154 | Y | 76.7 | Confident | 80.3 | Confident | 26.8 Ų | 26.8 | 33 Ų | 33 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -102.6 | 53.8 | -179.8 | -52.5 | -71.6 | 0 | 0 | 0 | 111.6 | L1108 R1118 C1151 M1152 T1156 F1159 G1160 V1163 | L1108-Y1154 HydrophobicContact CB-CE2 4.44Å; L1108-Y1154 HydrophobicContact CD2-CE2 4.06Å; L1108-Y1154 PolarHBondContact O-OH 3.12Å; L1108-Y1154 VanDerWaalsContact O-OH 3.11Å; R1118-Y1154 WeakPolarHBondContact CD-OH 3.4Å; C1151-Y1154 WeakPolarHBondContact O-CB 3.14Å; C1151-Y1154 WeakPolarHBondContact O-CD2 3.29Å; C1151-Y1154 PolarHBondContact O-N 3.17Å; M1152-Y1154 PolarHBondContact O-N 3.32Å; Y1154-T1156 VanDerWaalsContact C-N 3.32Å; Y1154-T1156 PolarHBondContact O-N 3.28Å; Y1154-F1159 HydrophobicContact CD1-CD1 4.43Å; Y1154-F1159 CarbonylContact O-C 3.48Å; Y1154-F1159 WeakPolarHBondContact O-CB 3.47Å; Y1154-G1160 VanDerWaalsContact O-CA 3.27Å; Y1154-G1160 WeakPolarHBondContact O-CA 3.39Å; Y1154-G1160 PolarHBondContact O-N 3.06Å; Y1154-V1163 WeakPolarHBondContact O-CG2 3.3Å |
| 1155 | N | 67.7 | Low | 80.3 | Confident | 76.2 Ų | 76.2 | 37.9 Ų | 37.9 | 41% | 0.407 | 19% | 0.188 | S | C | . | . | trans | -81.2 | -4.9 | -178.2 | 52.7 | -7 | 0 | 0 | 0 | 114.3 | M1152 R1153 S1196 | M1152-N1155 WeakPolarHBondContact CA-OD1 3.41Å; M1152-N1155 PolarHBondContact O-ND2 3.11Å; M1152-N1155 PolarHBondContact O-OD1 3.42Å; R1153-N1155 PolarHBondContact O-N 3.2Å; N1155-S1196 WeakPolarHBondContact CA-OG 3.17Å; N1155-S1196 WeakPolarHBondContact CB-OG 3.48Å; N1155-S1196 WeakPolarHBondContact O-CB 3.27Å; N1155-S1196 PolarHBondContact O-OG 3.12Å | ||
| 1156 | T | 67 | Low | 80.5 | Confident | 64.4 Ų | 64.4 | 37.7 Ų | 37.7 | 40% | 0.395 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -79.3 | 143.7 | 178 | 49.5 | 0 | 0 | 0 | 0 | 112 | Y1154 F1159 G1160 | Y1154-T1156 VanDerWaalsContact C-N 3.32Å; Y1154-T1156 PolarHBondContact O-N 3.28Å; T1156-F1159 CarbonylContact O-C 3.56Å; T1156-F1159 WeakPolarHBondContact O-CA 3.34Å; T1156-F1159 WeakPolarHBondContact O-CB 3.4Å; T1156-F1159 PolarHBondContact O-N 3.18Å; T1156-G1160 PolarHBondContact O-N 3.29Å |
| 1157 | S | 64.8 | Low | 80.8 | Confident | 64 Ų | 64 | 37.2 Ų | 37.2 | 45% | 0.448 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 139.8 | 171.6 | 65.1 | 0 | 0 | 0 | 0 | 110.1 | Q838 | Q838-S1157 VanDerWaalsContact CD-OG 3.25Å; Q838-S1157 PolarHBondContact NE2-OG 3.01Å; Q838-S1157 PolarHBondContact OE1-O 3.43Å; Q838-S1157 VanDerWaalsContact OE1-O 3.12Å; Q838-S1157 PolarHBondContact OE1-OG 3.31Å |
| 1158 | P | 67.9 | Low | 81 | Confident | 56 Ų | 56 | 40.2 Ų | 40.2 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -88 | -2.4 | 4.3 | 35 | -36.2 | 0 | 0 | 0 | 115.3 | W1119 G1160 K1161 | W1119-P1158 HydrophobicContact CZ2-CG 4.46Å; P1158-G1160 PolarHBondContact O-N 3.14Å; P1158-K1161 PolarHBondContact O-N 3.48Å |
| 1159 | F | 75.9 | Confident | 81 | Confident | 18.8 Ų | 18.8 | 40.6 Ų | 40.6 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | -176.7 | -68.5 | -96.7 | 0 | 0 | 0 | 112.7 | M835 L1115 W1119 Y1154 T1156 K1161 V1162 V1163 | M835-F1159 HydrophobicContact CE-CE2 4.46Å; L1115-F1159 HydrophobicContact CB-CZ 4.39Å; L1115-F1159 HydrophobicContact CD2-CE1 4.09Å; L1115-F1159 HydrophobicContact CD2-CE2 3.66Å; L1115-F1159 HydrophobicContact CD2-CZ 3.5Å; L1115-F1159 HydrophobicContact CG-CE1 4.12Å; L1115-F1159 HydrophobicContact CG-CE2 4.39Å; L1115-F1159 HydrophobicContact CG-CZ 3.81Å; W1119-F1159 HydrophobicContact CB-CD1 4.41Å; W1119-F1159 HydrophobicContact CB-CE1 3.61Å; W1119-F1159 HydrophobicContact CB-CZ 4.15Å; W1119-F1159 AromaticContact CD1-CD1 3.59Å; W1119-F1159 VanDerWaalsContact CD1-CD1 3.49Å; W1119-F1159 AromaticContact CD1-CE1 3.53Å; W1119-F1159 VanDerWaalsContact CD1-CE1 3.45Å; W1119-F1159 AromaticContact CD1-CZ 3.96Å; W1119-F1159 HydrophobicContact CG-CD1 4.26Å; W1119-F1159 AromaticContact CG-CE1 3.74Å; W1119-F1159 HydrophobicContact CG-CE1 3.74Å; W1119-F1159 HydrophobicContact CG-CZ 4.21Å; Y1154-F1159 HydrophobicContact CD1-CD1 4.43Å; Y1154-F1159 CarbonylContact O-C 3.48Å; Y1154-F1159 WeakPolarHBondContact O-CB 3.47Å; T1156-F1159 CarbonylContact O-C 3.56Å; T1156-F1159 WeakPolarHBondContact O-CA 3.34Å; T1156-F1159 WeakPolarHBondContact O-CB 3.4Å; T1156-F1159 PolarHBondContact O-N 3.18Å; F1159-K1161 VanDerWaalsContact C-N 3.26Å; F1159-K1161 PolarHBondContact O-N 3.1Å; F1159-K1161 VanDerWaalsContact O-N 3.16Å; F1159-V1162 WeakPolarHBondContact O-CA 3.4Å; F1159-V1162 WeakPolarHBondContact O-CB 3.38Å; F1159-V1162 PolarHBondContact O-N 3.21Å; F1159-V1163 PolarHBondContact O-N 3.14Å; F1159-V1163 VanDerWaalsContact O-N 3.12Å |
| 1160 | G | 78.6 | Confident | 81.4 | Confident | 0.4 Ų | 0.4 | 38.4 Ų | 38.4 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.1 | -39.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1154 T1156 P1158 V1162 V1163 V1164 | Y1154-G1160 VanDerWaalsContact O-CA 3.27Å; Y1154-G1160 WeakPolarHBondContact O-CA 3.39Å; Y1154-G1160 PolarHBondContact O-N 3.06Å; T1156-G1160 PolarHBondContact O-N 3.29Å; P1158-G1160 PolarHBondContact O-N 3.14Å; G1160-V1162 VanDerWaalsContact C-N 3.29Å; G1160-V1162 PolarHBondContact O-N 3.09Å; G1160-V1163 WeakPolarHBondContact O-CB 3.34Å; G1160-V1163 PolarHBondContact O-N 3.14Å; G1160-V1163 VanDerWaalsContact O-N 3.17Å; G1160-V1164 WeakPolarHBondContact O-CG2 3.26Å; G1160-V1164 PolarHBondContact O-N 3.01Å |
| 1161 | K | 82.6 | Confident | 81.7 | Confident | 97.6 Ų | 97.6 | 37.8 Ų | 37.8 | 42% | 0.424 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.3 | -34.7 | 176.5 | -61.9 | -166.1 | 173.9 | -176.8 | 0 | 112.9 | P1158 F1159 K1165 D1197 | P1158-K1161 PolarHBondContact O-N 3.48Å; F1159-K1161 VanDerWaalsContact C-N 3.26Å; F1159-K1161 PolarHBondContact O-N 3.1Å; F1159-K1161 VanDerWaalsContact O-N 3.16Å; K1161-K1165 WeakPolarHBondContact O-CB 3.45Å; K1161-K1165 VanDerWaalsContact O-CG 3.32Å; K1161-K1165 WeakPolarHBondContact O-CG 3.2Å; K1161-K1165 PolarHBondContact O-N 3.23Å; K1161-K1165 VanDerWaalsContact O-N 3.14Å; K1161-D1197 HydrophobicContact CG-CB 4.25Å; K1161-D1197 WeakPolarHBondContact CG-OD2 3.27Å |
| 1162 | V | 84.1 | Confident | 82 | Confident | 9.4 Ų | 9.4 | 42.4 Ų | 42.4 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -75 | -38.8 | 177.3 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | L1122 R1123 V1126 F1159 G1160 V1164 K1165 A1166 | L1122-V1162 HydrophobicContact CB-CG1 4.41Å; L1122-V1162 HydrophobicContact CD2-CB 3.73Å; L1122-V1162 HydrophobicContact CD2-CG1 3.65Å; L1122-V1162 VanDerWaalsContact CD2-CG1 3.47Å; L1122-V1162 HydrophobicContact CG-CB 4.36Å; L1122-V1162 HydrophobicContact CG-CG1 3.72Å; R1123-V1162 HydrophobicContact CB-CG1 4.48Å; R1123-V1162 HydrophobicContact CG-CG1 3.59Å; R1123-V1162 HydrophobicContact CG-CG2 4.27Å; V1126-V1162 HydrophobicContact CG2-CG1 4.19Å; F1159-V1162 WeakPolarHBondContact O-CA 3.4Å; F1159-V1162 WeakPolarHBondContact O-CB 3.38Å; F1159-V1162 PolarHBondContact O-N 3.21Å; G1160-V1162 VanDerWaalsContact C-N 3.29Å; G1160-V1162 PolarHBondContact O-N 3.09Å; V1162-V1164 VanDerWaalsContact C-N 3.32Å; V1162-V1164 PolarHBondContact O-N 2.95Å; V1162-K1165 CarbonylContact O-C 3.41Å; V1162-K1165 WeakPolarHBondContact O-CB 3.33Å; V1162-K1165 PolarHBondContact O-N 3.18Å; V1162-K1165 VanDerWaalsContact O-N 3.14Å; V1162-A1166 PolarHBondContact O-N 3.04Å |
| 1163 | V | 87.2 | Confident | 82.5 | Confident | 0.2 Ų | 0.2 | 42.6 Ų | 42.6 | 0% | 0.001 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 173.9 | 179.4 | 0 | 0 | 0 | 0 | 110 | L1122 C1151 M1152 Y1154 F1159 G1160 K1165 A1166 W1167 L1193 | L1122-V1163 HydrophobicContact CD1-CG2 4.34Å; L1122-V1163 HydrophobicContact CD2-CG2 3.72Å; C1151-V1163 HydrophobicContact CB-CG1 4.02Å; C1151-V1163 HydrophobicContact CB-CG2 4.18Å; C1151-V1163 VanDerWaalsContact O-CG2 3.31Å; C1151-V1163 WeakPolarHBondContact O-CG2 3.37Å; M1152-V1163 HydrophobicContact SD-CG1 4.33Å; Y1154-V1163 WeakPolarHBondContact O-CG2 3.3Å; F1159-V1163 PolarHBondContact O-N 3.14Å; F1159-V1163 VanDerWaalsContact O-N 3.12Å; G1160-V1163 WeakPolarHBondContact O-CB 3.34Å; G1160-V1163 PolarHBondContact O-N 3.14Å; G1160-V1163 VanDerWaalsContact O-N 3.17Å; V1163-K1165 VanDerWaalsContact C-N 3.31Å; V1163-K1165 PolarHBondContact O-N 3.17Å; V1163-A1166 WeakPolarHBondContact O-CA 3.29Å; V1163-A1166 VanDerWaalsContact O-CB 3.29Å; V1163-A1166 WeakPolarHBondContact O-CB 3.38Å; V1163-A1166 PolarHBondContact O-N 3.16Å; V1163-W1167 VanDerWaalsContact O-CD1 3.25Å; V1163-W1167 PolarHBondContact O-N 2.97Å; V1163-L1193 HydrophobicContact CG1-CD2 4.06Å |
| 1164 | V | 87.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | G1160 V1162 A1166 W1167 R1168 L1193 D1197 Q1200 V1201 L1204 | G1160-V1164 WeakPolarHBondContact O-CG2 3.26Å; G1160-V1164 PolarHBondContact O-N 3.01Å; V1162-V1164 VanDerWaalsContact C-N 3.32Å; V1162-V1164 PolarHBondContact O-N 2.95Å; V1164-A1166 VanDerWaalsContact C-N 3.3Å; V1164-A1166 PolarHBondContact O-N 3.11Å; V1164-W1167 PolarHBondContact O-N 2.97Å; V1164-R1168 WeakPolarHBondContact O-CB 3.29Å; V1164-R1168 PolarHBondContact O-N 3.11Å; V1164-L1193 HydrophobicContact CG2-CB 4.15Å; V1164-L1193 HydrophobicContact CG2-CD1 4.34Å; V1164-L1193 HydrophobicContact CG2-CD2 4.15Å; V1164-L1193 HydrophobicContact CG2-CG 4.37Å; V1164-D1197 HydrophobicContact CB-CB 4.29Å; V1164-D1197 HydrophobicContact CG1-CB 4.38Å; V1164-D1197 HydrophobicContact CG2-CB 4.11Å; V1164-Q1200 HydrophobicContact CB-CB 4.43Å; V1164-Q1200 HydrophobicContact CG1-CB 3.52Å; V1164-Q1200 VanDerWaalsContact CG1-CB 3.49Å; V1164-Q1200 HydrophobicContact CG1-CG 4.49Å; V1164-V1201 HydrophobicContact CG1-CG2 3.86Å; V1164-V1201 HydrophobicContact CG2-CG2 3.91Å; V1164-L1204 HydrophobicContact CG1-CD1 4.35Å |
| 1165 | K | 88.8 | Confident | 83.6 | Confident | 102.8 Ų | 102.8 | 37.9 Ų | 37.9 | 45% | 0.447 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.5 | -33.2 | 173.1 | -88.7 | 174.2 | -177.1 | 177.1 | 0 | 113.1 | V1126 K1161 V1162 V1163 S1169 | V1126-K1165 HydrophobicContact CG1-CB 4.4Å; V1126-K1165 HydrophobicContact CG1-CD 4.47Å; V1126-K1165 HydrophobicContact CG1-CG 4.09Å; V1126-K1165 HydrophobicContact CG2-CB 4.44Å; K1161-K1165 WeakPolarHBondContact O-CB 3.45Å; K1161-K1165 VanDerWaalsContact O-CG 3.32Å; K1161-K1165 WeakPolarHBondContact O-CG 3.2Å; K1161-K1165 PolarHBondContact O-N 3.23Å; K1161-K1165 VanDerWaalsContact O-N 3.14Å; V1162-K1165 CarbonylContact O-C 3.41Å; V1162-K1165 WeakPolarHBondContact O-CB 3.33Å; V1162-K1165 PolarHBondContact O-N 3.18Å; V1162-K1165 VanDerWaalsContact O-N 3.14Å; V1163-K1165 VanDerWaalsContact C-N 3.31Å; V1163-K1165 PolarHBondContact O-N 3.17Å; K1165-S1169 WeakPolarHBondContact O-CB 3.32Å; K1165-S1169 PolarHBondContact O-N 3.32Å; K1165-S1169 VanDerWaalsContact O-N 3.08Å; K1165-S1169 PolarHBondContact O-OG 3.2Å |
| 1166 | A | 90.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -49.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1126 L1148 V1162 V1163 V1164 R1168 S1169 F1170 | V1126-A1166 HydrophobicContact CG2-CB 3.7Å; L1148-A1166 HydrophobicContact CD2-CB 3.61Å; V1162-A1166 PolarHBondContact O-N 3.04Å; V1163-A1166 WeakPolarHBondContact O-CA 3.29Å; V1163-A1166 VanDerWaalsContact O-CB 3.29Å; V1163-A1166 WeakPolarHBondContact O-CB 3.38Å; V1163-A1166 PolarHBondContact O-N 3.16Å; V1164-A1166 VanDerWaalsContact C-N 3.3Å; V1164-A1166 PolarHBondContact O-N 3.11Å; A1166-R1168 VanDerWaalsContact C-N 3.34Å; A1166-R1168 PolarHBondContact O-N 3.17Å; A1166-S1169 PolarHBondContact O-N 3Å; A1166-S1169 VanDerWaalsContact O-N 3.12Å; A1166-F1170 PolarHBondContact O-N 3Å |
| 1167 | W | 91.5 | Very high | 85 | Confident | 0.6 Ų | 0.6 | 41.1 Ų | 41.1 | 0% | 0.002 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 173.3 | -78.5 | 104.2 | 0 | 0 | 0 | 112.6 | M1145 L1148 K1149 M1152 V1163 V1164 S1169 F1170 I1171 L1186 T1189 L1193 L1204 | M1145-W1167 HydrophobicContact CE-CH2 4.32Å; M1145-W1167 HydrophobicContact CE-CZ3 4.45Å; M1145-W1167 HydrophobicContact CG-CH2 4.23Å; M1145-W1167 HydrophobicContact SD-CH2 3.51Å; M1145-W1167 WeakPolarHBondContact SD-CH2 3.42Å; M1145-W1167 HydrophobicContact SD-CZ3 3.53Å; M1145-W1167 VanDerWaalsContact SD-CZ3 3.54Å; M1145-W1167 WeakPolarHBondContact SD-CZ3 3.32Å; L1148-W1167 HydrophobicContact CB-CD2 4.17Å; L1148-W1167 HydrophobicContact CB-CE3 4.47Å; L1148-W1167 HydrophobicContact CB-CH2 3.82Å; L1148-W1167 HydrophobicContact CB-CZ2 3.42Å; L1148-W1167 VanDerWaalsContact CB-CZ2 3.43Å; L1148-W1167 HydrophobicContact CB-CZ3 4.34Å; L1148-W1167 HydrophobicContact CD1-CD2 4.1Å; L1148-W1167 HydrophobicContact CD1-CE3 3.97Å; L1148-W1167 HydrophobicContact CD1-CH2 4.43Å; L1148-W1167 HydrophobicContact CD1-CZ2 4.47Å; L1148-W1167 HydrophobicContact CD1-CZ3 4.15Å; K1149-W1167 HydrophobicContact CG-CH2 4.45Å; K1149-W1167 HydrophobicContact CG-CZ2 4.41Å; M1152-W1167 HydrophobicContact SD-CZ2 4.37Å; M1152-W1167 PolarHBondContact SD-NE1 2.75Å; V1163-W1167 VanDerWaalsContact O-CD1 3.25Å; V1163-W1167 PolarHBondContact O-N 2.97Å; V1164-W1167 PolarHBondContact O-N 2.97Å; W1167-S1169 VanDerWaalsContact C-N 3.27Å; W1167-S1169 PolarHBondContact O-N 3.03Å; W1167-F1170 HydrophobicContact CE3-CD1 4.14Å; W1167-F1170 HydrophobicContact CZ3-CD1 4.14Å; W1167-F1170 HydrophobicContact CZ3-CE1 4.35Å; W1167-F1170 PolarHBondContact O-N 3.24Å; W1167-I1171 WeakPolarHBondContact O-CB 3.38Å; W1167-I1171 VanDerWaalsContact O-CG1 3.3Å; W1167-I1171 WeakPolarHBondContact O-CG1 3.4Å; W1167-I1171 PolarHBondContact O-N 3.24Å; W1167-L1186 HydrophobicContact CE3-CD2 4.15Å; W1167-L1186 HydrophobicContact CZ3-CD2 3.77Å; W1167-T1189 HydrophobicContact CD2-CG2 4.44Å; W1167-T1189 HydrophobicContact CH2-CG2 3.9Å; W1167-T1189 HydrophobicContact CZ2-CG2 3.69Å; W1167-T1189 VanDerWaalsContact CZ2-CG2 3.48Å; W1167-T1189 HydrophobicContact CZ3-CG2 4.4Å; W1167-L1193 HydrophobicContact CB-CD1 4.41Å; W1167-L1193 VanDerWaalsContact CD1-CD1 3.47Å; W1167-L1193 HydrophobicContact CD2-CD1 4.47Å; W1167-L1193 HydrophobicContact CG-CD1 3.87Å; W1167-L1204 HydrophobicContact CB-CD2 4.43Å |
| 1168 | R | 91.2 | Very high | 85.9 | Confident | 65 Ų | 65 | 38.3 Ų | 38.3 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.5 | -42.4 | 174.8 | -179.8 | 169.2 | -176.5 | 172.4 | 7.2 | 112.3 | V1164 A1166 R1172 D1203 L1204 | V1164-R1168 WeakPolarHBondContact O-CB 3.29Å; V1164-R1168 PolarHBondContact O-N 3.11Å; A1166-R1168 VanDerWaalsContact C-N 3.34Å; A1166-R1168 PolarHBondContact O-N 3.17Å; R1168-R1172 VanDerWaalsContact NH2-NH2 3.17Å; R1168-R1172 WeakPolarHBondContact O-CB 3.23Å; R1168-R1172 VanDerWaalsContact O-CG 3.3Å; R1168-R1172 WeakPolarHBondContact O-CG 3.39Å; R1168-R1172 PolarHBondContact O-N 3.2Å; R1168-D1203 IonicContact CZ-OD2 3.88Å; R1168-D1203 IonicContact NH1-OD2 2.73Å; R1168-D1203 PolarHBondContact NH1-OD2 3.13Å; R1168-D1203 VanDerWaalsContact NH1-OD2 3.13Å; R1168-D1203 IonicContact NH2-OD2 3.97Å; R1168-L1204 HydrophobicContact CB-CD1 3.91Å; R1168-L1204 HydrophobicContact CB-CD2 4.07Å; R1168-L1204 HydrophobicContact CB-CG 4.3Å; R1168-L1204 HydrophobicContact CG-CD1 3.67Å; R1168-L1204 HydrophobicContact CG-CD2 3.97Å; R1168-L1204 HydrophobicContact CG-CG 4.36Å |
| 1169 | S | 89.9 | Confident | 86.8 | Confident | 6.4 Ų | 6.4 | 35.7 Ų | 35.7 | 5% | 0.045 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.8 | -38.6 | -179.8 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | V1126 K1130 K1165 A1166 W1167 M1173 | V1126-S1169 VanDerWaalsContact CG1-OG 3.31Å; V1126-S1169 WeakPolarHBondContact CG1-OG 3.12Å; K1130-S1169 WeakPolarHBondContact CE-OG 3.45Å; K1165-S1169 WeakPolarHBondContact O-CB 3.32Å; K1165-S1169 PolarHBondContact O-N 3.32Å; K1165-S1169 VanDerWaalsContact O-N 3.08Å; K1165-S1169 PolarHBondContact O-OG 3.2Å; A1166-S1169 PolarHBondContact O-N 3Å; A1166-S1169 VanDerWaalsContact O-N 3.12Å; W1167-S1169 VanDerWaalsContact C-N 3.27Å; W1167-S1169 PolarHBondContact O-N 3.03Å; S1169-M1173 WeakPolarHBondContact O-CG 3.41Å; S1169-M1173 PolarHBondContact O-N 3.42Å |
| 1170 | F | 92.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -53.9 | 176 | 176.2 | -114.6 | 0 | 0 | 0 | 112.4 | I1129 V1137 R1141 F1144 M1145 L1148 A1166 W1167 R1172 M1173 L1174 L1186 | I1129-F1170 HydrophobicContact CD1-CB 4.49Å; I1129-F1170 HydrophobicContact CG2-CB 4.43Å; V1137-F1170 HydrophobicContact CG1-CD2 3.63Å; V1137-F1170 HydrophobicContact CG1-CE2 3.78Å; R1141-F1170 HydrophobicContact CB-CZ 4.36Å; F1144-F1170 HydrophobicContact CB-CD2 3.72Å; F1144-F1170 HydrophobicContact CB-CE2 3.34Å; F1144-F1170 HydrophobicContact CB-CZ 4.04Å; F1144-F1170 HydrophobicContact CD2-CE2 4.43Å; F1144-F1170 HydrophobicContact CG-CD2 4.2Å; F1144-F1170 HydrophobicContact CG-CE2 4.08Å; M1145-F1170 HydrophobicContact CE-CE1 3.99Å; M1145-F1170 HydrophobicContact CE-CZ 4.45Å; M1145-F1170 HydrophobicContact CG-CE1 3.94Å; M1145-F1170 HydrophobicContact CG-CZ 3.88Å; M1145-F1170 HydrophobicContact SD-CD1 4.47Å; M1145-F1170 HydrophobicContact SD-CE1 4.15Å; M1145-F1170 VanDerWaalsContact SD-CE1 3.56Å; M1145-F1170 HydrophobicContact SD-CZ 4.14Å; L1148-F1170 HydrophobicContact CD1-CB 3.54Å; L1148-F1170 VanDerWaalsContact CD1-CB 3.48Å; L1148-F1170 HydrophobicContact CD1-CD1 3.68Å; L1148-F1170 HydrophobicContact CD1-CD2 4.22Å; L1148-F1170 HydrophobicContact CD1-CE1 4.41Å; L1148-F1170 HydrophobicContact CD1-CG 3.54Å; L1148-F1170 VanDerWaalsContact CD1-CG 3.48Å; A1166-F1170 PolarHBondContact O-N 3Å; W1167-F1170 HydrophobicContact CE3-CD1 4.14Å; W1167-F1170 HydrophobicContact CZ3-CD1 4.14Å; W1167-F1170 HydrophobicContact CZ3-CE1 4.35Å; W1167-F1170 PolarHBondContact O-N 3.24Å; F1170-R1172 VanDerWaalsContact C-N 3.27Å; F1170-R1172 PolarHBondContact O-N 3.16Å; F1170-M1173 PolarHBondContact O-N 3.22Å; F1170-L1174 HydrophobicContact CD1-CD1 4.31Å; F1170-L1174 HydrophobicContact CE1-CD1 3.84Å; F1170-L1174 HydrophobicContact CE1-CD2 4.42Å; F1170-L1174 HydrophobicContact CE1-CG 4.44Å; F1170-L1174 HydrophobicContact CE2-CD1 4.45Å; F1170-L1174 HydrophobicContact CE2-CD2 3.88Å; F1170-L1174 HydrophobicContact CE2-CG 4.32Å; F1170-L1174 HydrophobicContact CZ-CD1 3.96Å; F1170-L1174 HydrophobicContact CZ-CD2 3.87Å; F1170-L1174 HydrophobicContact CZ-CG 4.22Å; F1170-L1174 PolarHBondContact O-N 2.93Å; F1170-L1186 HydrophobicContact CD1-CD2 4.47Å; F1170-L1186 HydrophobicContact CE1-CD2 4.34Å |
| 1171 | I | 90.4 | Very high | 87.3 | Confident | 0.4 Ų | 0.4 | 41 Ų | 41 | 0% | 0.002 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58 | -39.2 | -178.1 | -68.1 | 165 | 0 | 0 | 0 | 111.5 | W1167 M1173 L1174 L1179 L1186 L1190 L1204 Y1207 L1208 | W1167-I1171 WeakPolarHBondContact O-CB 3.38Å; W1167-I1171 VanDerWaalsContact O-CG1 3.3Å; W1167-I1171 WeakPolarHBondContact O-CG1 3.4Å; W1167-I1171 PolarHBondContact O-N 3.24Å; I1171-M1173 VanDerWaalsContact C-N 3.29Å; I1171-M1173 PolarHBondContact O-N 3.22Å; I1171-L1174 PolarHBondContact O-N 3.25Å; I1171-L1179 HydrophobicContact CG2-CD1 4.3Å; I1171-L1186 HydrophobicContact CD1-CD2 4.22Å; I1171-L1186 HydrophobicContact CG1-CD1 4.3Å; I1171-L1186 HydrophobicContact CG1-CD2 3.91Å; I1171-L1190 HydrophobicContact CD1-CD1 4.13Å; I1171-L1190 HydrophobicContact CD1-CD2 4.08Å; I1171-L1190 HydrophobicContact CD1-CG 4.39Å; I1171-L1204 HydrophobicContact CB-CD2 4.26Å; I1171-L1204 HydrophobicContact CD1-CD1 4.4Å; I1171-L1204 HydrophobicContact CD1-CD2 3.99Å; I1171-L1204 HydrophobicContact CG2-CD2 4.28Å; I1171-Y1207 HydrophobicContact CG2-CD1 4.12Å; I1171-Y1207 HydrophobicContact CG2-CE1 4.03Å; I1171-L1208 HydrophobicContact CG2-CD2 3.96Å |
| 1172 | R | 90.2 | Very high | 87.5 | Confident | 96.8 Ų | 96.8 | 36.8 Ų | 36.8 | 37% | 0.365 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -72.7 | -18.8 | 178.5 | -73.6 | -176.7 | 171.3 | -153.7 | -7 | 114.3 | R1168 F1170 Y1207 | R1168-R1172 VanDerWaalsContact NH2-NH2 3.17Å; R1168-R1172 WeakPolarHBondContact O-CB 3.23Å; R1168-R1172 VanDerWaalsContact O-CG 3.3Å; R1168-R1172 WeakPolarHBondContact O-CG 3.39Å; R1168-R1172 PolarHBondContact O-N 3.2Å; F1170-R1172 VanDerWaalsContact C-N 3.27Å; F1170-R1172 PolarHBondContact O-N 3.16Å; R1172-Y1207 HydrophobicContact CG-CD1 4.4Å; R1172-Y1207 HydrophobicContact CG-CD2 4.48Å; R1172-Y1207 HydrophobicContact CG-CE1 4.12Å; R1172-Y1207 HydrophobicContact CG-CE2 4.17Å |
| 1173 | M | 89.8 | Confident | 87.7 | Confident | 51.6 Ų | 51.6 | 36.3 Ų | 36.3 | 25% | 0.254 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -93.2 | -9.5 | 177.7 | -65.6 | -65.1 | 93.3 | 0 | 0 | 112.8 | I1129 S1134 V1137 T1138 S1169 F1170 I1171 | I1129-M1173 HydrophobicContact CG2-CG 4.18Å; S1134-M1173 WeakPolarHBondContact CA-O 3.34Å; S1134-M1173 VanDerWaalsContact CB-O 3.23Å; S1134-M1173 WeakPolarHBondContact CB-O 3.3Å; V1137-M1173 HydrophobicContact CB-CB 4.13Å; V1137-M1173 HydrophobicContact CG1-CB 3.98Å; V1137-M1173 HydrophobicContact CG2-CB 4.3Å; T1138-M1173 PolarHBondContact OG1-O 2.96Å; S1169-M1173 WeakPolarHBondContact O-CG 3.41Å; S1169-M1173 PolarHBondContact O-N 3.42Å; F1170-M1173 PolarHBondContact O-N 3.22Å; I1171-M1173 VanDerWaalsContact C-N 3.29Å; I1171-M1173 PolarHBondContact O-N 3.22Å |
| 1174 | L | 89.3 | Confident | 87.7 | Confident | 10.2 Ų | 10.2 | 37 Ų | 37 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -73.4 | 138.1 | 177.4 | -69.2 | 173.3 | 0 | 0 | 0 | 111.7 | V1137 R1141 F1170 I1171 L1179 L1182 L1186 | V1137-L1174 HydrophobicContact CG1-CD2 4.46Å; R1141-L1174 HydrophobicContact CB-CD2 3.95Å; F1170-L1174 HydrophobicContact CD1-CD1 4.31Å; F1170-L1174 HydrophobicContact CE1-CD1 3.84Å; F1170-L1174 HydrophobicContact CE1-CD2 4.42Å; F1170-L1174 HydrophobicContact CE1-CG 4.44Å; F1170-L1174 HydrophobicContact CE2-CD1 4.45Å; F1170-L1174 HydrophobicContact CE2-CD2 3.88Å; F1170-L1174 HydrophobicContact CE2-CG 4.32Å; F1170-L1174 HydrophobicContact CZ-CD1 3.96Å; F1170-L1174 HydrophobicContact CZ-CD2 3.87Å; F1170-L1174 HydrophobicContact CZ-CG 4.22Å; F1170-L1174 PolarHBondContact O-N 2.93Å; I1171-L1174 PolarHBondContact O-N 3.25Å; L1174-L1179 HydrophobicContact CB-CB 4.38Å; L1174-L1179 HydrophobicContact CB-CD1 4.46Å; L1174-L1179 HydrophobicContact CD1-CD1 4.23Å; L1174-L1182 HydrophobicContact CD1-CD1 4.3Å; L1174-L1186 HydrophobicContact CD1-CD1 4.22Å |
| 1175 | E | 87.3 | Confident | 87.6 | Confident | 74.8 Ų | 74.8 | 37.4 Ų | 37.4 | 35% | 0.35 | 18% | 0.175 | S | C | . | . | trans | -71.5 | 153 | 167.8 | -71.5 | 173.5 | -170.8 | 0 | 0 | 111.1 | N1135 T1138 E1177 S1178 L1179 | N1135-E1175 PolarHBondContact OD1-OE1 3.33Å; T1138-E1175 HydrophobicContact CG2-CB 3.87Å; T1138-E1175 HydrophobicContact CG2-CG 4.15Å; T1138-E1175 WeakPolarHBondContact OG1-CG 3.34Å; T1138-E1175 PolarHBondContact OG1-N 3.19Å; T1138-E1175 VanDerWaalsContact OG1-N 3.11Å; E1175-E1177 PolarHBondContact O-N 3.19Å; E1175-S1178 PolarHBondContact N-OG 3.3Å; E1175-S1178 PolarHBondContact O-N 3.15Å; E1175-S1178 VanDerWaalsContact O-N 3.14Å; E1175-S1178 PolarHBondContact O-OG 3.11Å; E1175-L1179 WeakPolarHBondContact O-CB 3.36Å; E1175-L1179 PolarHBondContact O-N 3.29Å | ||
| 1176 | P | 82.5 | Confident | 87.6 | Confident | 54 Ų | 54 | 32.5 Ų | 32.5 | 35% | 0.351 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.1 | -42.7 | -170.1 | 21.9 | -33.5 | 0 | 0 | 0 | 113.6 | S1178 L1179 E1180 Q1215 | P1176-S1178 VanDerWaalsContact C-N 3.34Å; P1176-S1178 PolarHBondContact O-N 3Å; P1176-L1179 WeakPolarHBondContact O-CB 3.45Å; P1176-L1179 PolarHBondContact O-N 3.13Å; P1176-L1179 VanDerWaalsContact O-N 3.11Å; P1176-E1180 WeakPolarHBondContact O-CG 3.36Å; P1176-E1180 PolarHBondContact O-N 3.26Å; P1176-Q1215 HydrophobicContact CB-CB 4.25Å |
| 1177 | E | 82.5 | Confident | 87.4 | Confident | 153.6 Ų | 153.6 | 32.5 Ų | 32.5 | 72% | 0.718 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -60.8 | -43.6 | -179.9 | -61.5 | 176.4 | -174.6 | 0 | 0 | 112.1 | E1175 L1179 E1180 E1181 | E1175-E1177 PolarHBondContact O-N 3.19Å; E1177-L1179 VanDerWaalsContact C-N 3.33Å; E1177-L1179 PolarHBondContact O-N 2.97Å; E1177-E1180 PolarHBondContact O-N 3Å; E1177-E1181 PolarHBondContact O-N 3.18Å; E1177-E1181 VanDerWaalsContact O-N 3.16Å |
| 1178 | S | 82.8 | Confident | 87.1 | Confident | 5.8 Ų | 5.8 | 32.8 Ų | 32.8 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.2 | -30.2 | 176.5 | -30.2 | 0 | 0 | 0 | 0 | 112.9 | T1138 R1141 E1175 P1176 E1180 L1182 | T1138-S1178 WeakPolarHBondContact CG2-OG 3.38Å; R1141-S1178 VanDerWaalsContact CD-CB 3.48Å; R1141-S1178 WeakPolarHBondContact CD-OG 3.36Å; R1141-S1178 PolarHBondContact NE-OG 3.13Å; R1141-S1178 PolarHBondContact NH1-OG 3.33Å; E1175-S1178 PolarHBondContact N-OG 3.3Å; E1175-S1178 PolarHBondContact O-N 3.15Å; E1175-S1178 VanDerWaalsContact O-N 3.14Å; E1175-S1178 PolarHBondContact O-OG 3.11Å; P1176-S1178 VanDerWaalsContact C-N 3.34Å; P1176-S1178 PolarHBondContact O-N 3Å; S1178-E1180 VanDerWaalsContact C-N 3.32Å; S1178-L1182 WeakPolarHBondContact O-CB 3.31Å; S1178-L1182 WeakPolarHBondContact O-CG 3.28Å; S1178-L1182 PolarHBondContact O-N 2.98Å; S1178-L1182 VanDerWaalsContact O-N 3.11Å |
| 1179 | L | 86.3 | Confident | 86.8 | Confident | 1.6 Ų | 1.6 | 30.3 Ų | 30.3 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 175.7 | -178.1 | 63.1 | 0 | 0 | 0 | 110.8 | I1171 L1174 E1175 P1176 E1177 L1182 L1183 L1186 L1208 K1212 I1216 | I1171-L1179 HydrophobicContact CG2-CD1 4.3Å; L1174-L1179 HydrophobicContact CB-CB 4.38Å; L1174-L1179 HydrophobicContact CB-CD1 4.46Å; L1174-L1179 HydrophobicContact CD1-CD1 4.23Å; E1175-L1179 WeakPolarHBondContact O-CB 3.36Å; E1175-L1179 PolarHBondContact O-N 3.29Å; P1176-L1179 WeakPolarHBondContact O-CB 3.45Å; P1176-L1179 PolarHBondContact O-N 3.13Å; P1176-L1179 VanDerWaalsContact O-N 3.11Å; E1177-L1179 VanDerWaalsContact C-N 3.33Å; E1177-L1179 PolarHBondContact O-N 2.97Å; L1179-L1182 PolarHBondContact O-N 2.93Å; L1179-L1183 WeakPolarHBondContact O-CA 3.24Å; L1179-L1183 WeakPolarHBondContact O-CB 3.35Å; L1179-L1183 PolarHBondContact O-N 3.13Å; L1179-L1183 VanDerWaalsContact O-N 3.1Å; L1179-L1186 HydrophobicContact CD1-CD1 3.6Å; L1179-L1208 HydrophobicContact CD1-CD2 3.95Å; L1179-L1208 HydrophobicContact CD2-CD2 4.19Å; L1179-L1208 HydrophobicContact CG-CD2 4.33Å; L1179-K1212 HydrophobicContact CD2-CG 4.44Å; L1179-I1216 HydrophobicContact CD2-CD1 3.93Å; L1179-I1216 HydrophobicContact CD2-CG1 4.46Å; L1179-I1216 HydrophobicContact CG-CD1 4.34Å |
| 1180 | E | 83.5 | Confident | 86.7 | Confident | 59 Ų | 59 | 30 Ų | 30 | 28% | 0.276 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 174.7 | -74.1 | 175.1 | -154.7 | 0 | 0 | 112.4 | P1176 E1177 S1178 L1182 L1183 Q1215 I1216 R1219 | P1176-E1180 WeakPolarHBondContact O-CG 3.36Å; P1176-E1180 PolarHBondContact O-N 3.26Å; E1177-E1180 PolarHBondContact O-N 3Å; S1178-E1180 VanDerWaalsContact C-N 3.32Å; E1180-L1182 VanDerWaalsContact C-N 3.33Å; E1180-L1182 PolarHBondContact O-N 3.08Å; E1180-L1183 WeakPolarHBondContact O-CB 3.36Å; E1180-L1183 PolarHBondContact O-N 3.18Å; E1180-Q1215 VanDerWaalsContact OE1-O 3.04Å; E1180-I1216 HydrophobicContact CG-CB 4.41Å; E1180-I1216 HydrophobicContact CG-CG1 4.39Å; E1180-I1216 HydrophobicContact CG-CG2 4.16Å; E1180-R1219 VanDerWaalsContact CB-NH1 3.3Å; E1180-R1219 IonicContact OE2-CZ 3.8Å; E1180-R1219 IonicContact OE2-NE 3.45Å; E1180-R1219 IonicContact OE2-NH1 2.74Å; E1180-R1219 PolarHBondContact OE2-NH1 2.97Å; E1180-R1219 IonicContact OE2-NH2 3.32Å |
| 1181 | E | 83.2 | Confident | 86.2 | Confident | 70.4 Ų | 70.4 | 31 Ų | 31 | 33% | 0.329 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 177 | -176.3 | -173.6 | -167.5 | 0 | 0 | 111.7 | R1141 E1177 L1183 L1425 H1487 | R1141-E1181 IonicContact CZ-OE2 3.27Å; R1141-E1181 VanDerWaalsContact CZ-OE2 3.27Å; R1141-E1181 IonicContact NE-OE2 3.16Å; R1141-E1181 PolarHBondContact NE-OE2 3.05Å; R1141-E1181 VanDerWaalsContact NE-OE2 3.12Å; R1141-E1181 IonicContact NH2-OE1 3.18Å; R1141-E1181 IonicContact NH2-OE2 2.8Å; R1141-E1181 PolarHBondContact NH2-OE2 3.27Å; E1177-E1181 PolarHBondContact O-N 3.18Å; E1177-E1181 VanDerWaalsContact O-N 3.16Å; E1181-L1183 VanDerWaalsContact C-N 3.33Å; E1181-L1183 PolarHBondContact O-N 3.37Å; E1181-L1425 WeakPolarHBondContact OE1-CD1 3.28Å; E1181-H1487 IonicContact OE1-CD2 3.81Å |
| 1182 | L | 85.4 | Confident | 85.7 | Confident | 9.4 Ų | 9.4 | 32.6 Ų | 32.6 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -0.7 | -174.8 | -62.9 | 175.9 | 0 | 0 | 0 | 113.7 | R1141 M1145 L1174 S1178 L1179 E1180 P1184 D1185 L1186 L1425 | R1141-L1182 HydrophobicContact CB-CD1 3.98Å; R1141-L1182 HydrophobicContact CG-CD1 4.07Å; M1145-L1182 HydrophobicContact CE-CB 3.97Å; M1145-L1182 HydrophobicContact CE-CD1 3.81Å; M1145-L1182 HydrophobicContact CE-CD2 3.93Å; M1145-L1182 HydrophobicContact CE-CG 4.12Å; M1145-L1182 HydrophobicContact CG-CD1 4.22Å; M1145-L1182 HydrophobicContact SD-CD2 4.38Å; L1174-L1182 HydrophobicContact CD1-CD1 4.3Å; S1178-L1182 WeakPolarHBondContact O-CB 3.31Å; S1178-L1182 WeakPolarHBondContact O-CG 3.28Å; S1178-L1182 PolarHBondContact O-N 2.98Å; S1178-L1182 VanDerWaalsContact O-N 3.11Å; L1179-L1182 PolarHBondContact O-N 2.93Å; E1180-L1182 VanDerWaalsContact C-N 3.33Å; E1180-L1182 PolarHBondContact O-N 3.08Å; L1182-P1184 VanDerWaalsContact C-CD 3.46Å; L1182-D1185 WeakPolarHBondContact O-CB 3.29Å; L1182-D1185 PolarHBondContact O-N 3.14Å; L1182-D1185 VanDerWaalsContact O-N 3.13Å; L1182-L1186 HydrophobicContact CB-CD1 4.18Å; L1182-L1186 HydrophobicContact CB-CG 4.29Å; L1182-L1186 VanDerWaalsContact O-CG 3.31Å; L1182-L1186 WeakPolarHBondContact O-CG 3.34Å; L1182-L1186 PolarHBondContact O-N 2.99Å; L1182-L1425 HydrophobicContact CD2-CD2 4.23Å |
| 1183 | L | 88.6 | Confident | 85.4 | Confident | 0.6 Ų | 0.6 | 28 Ų | 28 | 0% | 0.003 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55 | -47.7 | -171.1 | -171.5 | 70.9 | 0 | 0 | 0 | 113.5 | L1179 E1180 E1181 D1185 L1186 G1187 I1216 R1219 L1220 L1223 | L1179-L1183 WeakPolarHBondContact O-CA 3.24Å; L1179-L1183 WeakPolarHBondContact O-CB 3.35Å; L1179-L1183 PolarHBondContact O-N 3.13Å; L1179-L1183 VanDerWaalsContact O-N 3.1Å; E1180-L1183 WeakPolarHBondContact O-CB 3.36Å; E1180-L1183 PolarHBondContact O-N 3.18Å; E1181-L1183 VanDerWaalsContact C-N 3.33Å; E1181-L1183 PolarHBondContact O-N 3.37Å; L1183-D1185 VanDerWaalsContact C-N 3.3Å; L1183-D1185 PolarHBondContact O-N 3.21Å; L1183-L1186 PolarHBondContact O-N 3.2Å; L1183-G1187 PolarHBondContact O-N 3.1Å; L1183-I1216 HydrophobicContact CD1-CD1 4.39Å; L1183-I1216 HydrophobicContact CD2-CG2 3.8Å; L1183-R1219 WeakPolarHBondContact CD2-O 3.25Å; L1183-L1220 HydrophobicContact CD2-CD2 4.25Å; L1183-L1223 HydrophobicContact CD1-CD1 3.93Å; L1183-L1223 HydrophobicContact CD2-CD1 4.15Å; L1183-L1223 HydrophobicContact CD2-CG 4.14Å; L1183-L1223 HydrophobicContact CG-CD1 3.88Å; L1183-L1223 HydrophobicContact CG-CD2 4.22Å; L1183-L1223 HydrophobicContact CG-CG 3.98Å; L1183-L1223 WeakPolarHBondContact O-CD2 3.32Å |
| 1184 | P | 87 | Confident | 84.9 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 179.4 | -21.2 | 33.8 | 0 | 0 | 0 | 112.2 | L1182 G1187 A1188 C1222 F1225 V1279 | L1182-P1184 VanDerWaalsContact C-CD 3.46Å; P1184-G1187 PolarHBondContact O-N 3.3Å; P1184-A1188 WeakPolarHBondContact O-CB 3.35Å; P1184-A1188 PolarHBondContact O-N 3.17Å; P1184-C1222 HydrophobicContact CG-CB 4.28Å; P1184-F1225 HydrophobicContact CB-CE1 4.28Å; P1184-F1225 HydrophobicContact CB-CZ 4.28Å; P1184-F1225 WeakPolarHBondContact O-CZ 3.38Å; P1184-V1279 HydrophobicContact CB-CG1 4.26Å; P1184-V1279 HydrophobicContact CB-CG2 3.96Å; P1184-V1279 WeakPolarHBondContact O-CG2 3.29Å |
| 1185 | D | 85.9 | Confident | 84.2 | Confident | 9.2 Ų | 9.2 | 30.9 Ų | 30.9 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | 179.1 | -85.5 | -20.8 | 0 | 0 | 0 | 112.9 | M1145 K1149 L1182 L1183 A1188 T1189 H1274 S1276 V1279 | M1145-D1185 HydrophobicContact CE-CB 4.07Å; M1145-D1185 HydrophobicContact SD-CB 4.42Å; K1149-D1185 IonicContact NZ-OD2 2.62Å; K1149-D1185 PolarHBondContact NZ-OD2 3.03Å; L1182-D1185 WeakPolarHBondContact O-CB 3.29Å; L1182-D1185 PolarHBondContact O-N 3.14Å; L1182-D1185 VanDerWaalsContact O-N 3.13Å; L1183-D1185 VanDerWaalsContact C-N 3.3Å; L1183-D1185 PolarHBondContact O-N 3.21Å; D1185-A1188 PolarHBondContact O-N 3.06Å; D1185-T1189 VanDerWaalsContact O-CB 3.31Å; D1185-T1189 WeakPolarHBondContact O-CB 3.38Å; D1185-T1189 VanDerWaalsContact O-CG2 3.3Å; D1185-T1189 WeakPolarHBondContact O-CG2 3.43Å; D1185-T1189 PolarHBondContact O-N 3.31Å; D1185-T1189 PolarHBondContact O-OG1 3.09Å; D1185-H1274 IonicContact OD1-CE1 3.19Å; D1185-H1274 PolarHBondContact OD1-CE1 3.07Å; D1185-H1274 IonicContact OD1-ND1 3.02Å; D1185-H1274 IonicContact OD2-CE1 3.65Å; D1185-S1276 WeakPolarHBondContact OD1-CB 3.41Å; D1185-S1276 PolarHBondContact OD1-OG 3.23Å; D1185-V1279 WeakPolarHBondContact OD1-CG2 3.22Å |
| 1186 | L | 88.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 175.2 | -69 | 174.5 | 0 | 0 | 0 | 110.6 | M1145 W1167 F1170 I1171 L1174 L1179 L1182 L1183 A1188 T1189 L1190 | M1145-L1186 HydrophobicContact CE-CD2 3.97Å; M1145-L1186 HydrophobicContact CE-CG 4.23Å; M1145-L1186 HydrophobicContact SD-CD2 4.19Å; W1167-L1186 HydrophobicContact CE3-CD2 4.15Å; W1167-L1186 HydrophobicContact CZ3-CD2 3.77Å; F1170-L1186 HydrophobicContact CD1-CD2 4.47Å; F1170-L1186 HydrophobicContact CE1-CD2 4.34Å; I1171-L1186 HydrophobicContact CD1-CD2 4.22Å; I1171-L1186 HydrophobicContact CG1-CD1 4.3Å; I1171-L1186 HydrophobicContact CG1-CD2 3.91Å; L1174-L1186 HydrophobicContact CD1-CD1 4.22Å; L1179-L1186 HydrophobicContact CD1-CD1 3.6Å; L1182-L1186 HydrophobicContact CB-CD1 4.18Å; L1182-L1186 HydrophobicContact CB-CG 4.29Å; L1182-L1186 VanDerWaalsContact O-CG 3.31Å; L1182-L1186 WeakPolarHBondContact O-CG 3.34Å; L1182-L1186 PolarHBondContact O-N 2.99Å; L1183-L1186 PolarHBondContact O-N 3.2Å; L1186-A1188 VanDerWaalsContact C-N 3.34Å; L1186-A1188 PolarHBondContact O-N 3.15Å; L1186-T1189 WeakPolarHBondContact CA-OG1 3.3Å; L1186-T1189 PolarHBondContact O-N 3.06Å; L1186-T1189 PolarHBondContact O-OG1 3.18Å; L1186-L1190 WeakPolarHBondContact O-CB 3.42Å; L1186-L1190 VanDerWaalsContact O-CG 3.23Å; L1186-L1190 WeakPolarHBondContact O-CG 3.2Å; L1186-L1190 PolarHBondContact O-N 3.26Å |
| 1187 | G | 86.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.6 | -47.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1183 P1184 T1189 L1190 V1191 | L1183-G1187 PolarHBondContact O-N 3.1Å; P1184-G1187 PolarHBondContact O-N 3.3Å; G1187-T1189 VanDerWaalsContact C-N 3.34Å; G1187-T1189 PolarHBondContact O-N 3.12Å; G1187-L1190 PolarHBondContact O-N 3.27Å; G1187-V1191 VanDerWaalsContact O-CG2 3.32Å; G1187-V1191 WeakPolarHBondContact O-CG2 3.42Å; G1187-V1191 PolarHBondContact O-N 3.16Å; G1187-V1191 VanDerWaalsContact O-N 3.14Å |
| 1188 | A | 84.6 | Confident | 83.3 | Confident | 5.4 Ų | 5.4 | 22 Ų | 22 | 5% | 0.045 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.3 | -37.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1184 D1185 L1186 G1192 F1225 V1279 L1282 | P1184-A1188 WeakPolarHBondContact O-CB 3.35Å; P1184-A1188 PolarHBondContact O-N 3.17Å; D1185-A1188 PolarHBondContact O-N 3.06Å; L1186-A1188 VanDerWaalsContact C-N 3.34Å; L1186-A1188 PolarHBondContact O-N 3.15Å; A1188-G1192 PolarHBondContact O-N 3.18Å; A1188-F1225 HydrophobicContact CB-CE2 4.32Å; A1188-V1279 HydrophobicContact CB-CG2 3.87Å; A1188-L1282 VanDerWaalsContact CA-CD1 3.46Å; A1188-L1282 HydrophobicContact CB-CD1 3.67Å |
| 1189 | T | 85.5 | Confident | 83.3 | Confident | 12.2 Ų | 12.2 | 26.9 Ų | 26.9 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72 | -40.6 | 178.5 | -16.8 | 0 | 0 | 0 | 0 | 111.9 | M1152 W1167 D1185 L1186 G1187 V1191 G1192 L1193 | M1152-T1189 HydrophobicContact CE-CG2 4.11Å; M1152-T1189 HydrophobicContact CG-CG2 4.47Å; M1152-T1189 HydrophobicContact SD-CG2 3.81Å; W1167-T1189 HydrophobicContact CD2-CG2 4.44Å; W1167-T1189 HydrophobicContact CH2-CG2 3.9Å; W1167-T1189 HydrophobicContact CZ2-CG2 3.69Å; W1167-T1189 VanDerWaalsContact CZ2-CG2 3.48Å; W1167-T1189 HydrophobicContact CZ3-CG2 4.4Å; D1185-T1189 VanDerWaalsContact O-CB 3.31Å; D1185-T1189 WeakPolarHBondContact O-CB 3.38Å; D1185-T1189 VanDerWaalsContact O-CG2 3.3Å; D1185-T1189 WeakPolarHBondContact O-CG2 3.43Å; D1185-T1189 PolarHBondContact O-N 3.31Å; D1185-T1189 PolarHBondContact O-OG1 3.09Å; L1186-T1189 WeakPolarHBondContact CA-OG1 3.3Å; L1186-T1189 PolarHBondContact O-N 3.06Å; L1186-T1189 PolarHBondContact O-OG1 3.18Å; G1187-T1189 VanDerWaalsContact C-N 3.34Å; G1187-T1189 PolarHBondContact O-N 3.12Å; T1189-V1191 VanDerWaalsContact C-N 3.35Å; T1189-V1191 PolarHBondContact O-N 3.19Å; T1189-G1192 WeakPolarHBondContact O-CA 3.33Å; T1189-G1192 PolarHBondContact O-N 3.26Å; T1189-G1192 VanDerWaalsContact O-N 3.11Å; T1189-L1193 PolarHBondContact O-N 3.15Å |
| 1190 | L | 87.2 | Confident | 83.1 | Confident | 0.2 Ų | 0.2 | 28.7 Ų | 28.7 | 0% | 0.001 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -38 | 177.1 | -70.8 | 175.4 | 0 | 0 | 0 | 112.4 | I1171 L1186 G1187 G1192 L1193 L1194 V1201 L1204 F1205 L1208 | I1171-L1190 HydrophobicContact CD1-CD1 4.13Å; I1171-L1190 HydrophobicContact CD1-CD2 4.08Å; I1171-L1190 HydrophobicContact CD1-CG 4.39Å; L1186-L1190 WeakPolarHBondContact O-CB 3.42Å; L1186-L1190 VanDerWaalsContact O-CG 3.23Å; L1186-L1190 WeakPolarHBondContact O-CG 3.2Å; L1186-L1190 PolarHBondContact O-N 3.26Å; G1187-L1190 PolarHBondContact O-N 3.27Å; L1190-G1192 PolarHBondContact O-N 3.33Å; L1190-L1193 HydrophobicContact CD2-CD1 4.35Å; L1190-L1193 WeakPolarHBondContact O-CB 3.38Å; L1190-L1193 PolarHBondContact O-N 3.19Å; L1190-L1193 VanDerWaalsContact O-N 3.11Å; L1190-L1194 PolarHBondContact O-N 3.19Å; L1190-V1201 HydrophobicContact CB-CG1 4.28Å; L1190-V1201 HydrophobicContact CD2-CG1 4.48Å; L1190-V1201 WeakPolarHBondContact O-CG1 3.4Å; L1190-L1204 HydrophobicContact CD1-CB 4.39Å; L1190-L1204 HydrophobicContact CD2-CB 4.42Å; L1190-L1204 HydrophobicContact CD2-CD1 3.81Å; L1190-L1204 HydrophobicContact CD2-CD2 3.56Å; L1190-F1205 HydrophobicContact CB-CE1 4.25Å; L1190-F1205 HydrophobicContact CB-CE2 3.81Å; L1190-F1205 HydrophobicContact CB-CZ 3.54Å; L1190-F1205 HydrophobicContact CD1-CD1 4.47Å; L1190-F1205 HydrophobicContact CD1-CE1 4.22Å; L1190-F1205 HydrophobicContact CD1-CZ 4.27Å; L1190-L1208 HydrophobicContact CD1-CD1 3.92Å |
| 1191 | V | 83.7 | Confident | 83.2 | Confident | 22 Ų | 22 | 25.9 Ų | 25.9 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.7 | -40.4 | 172.8 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | G1187 T1189 L1193 L1194 F1205 L1226 P1227 L1282 | G1187-V1191 VanDerWaalsContact O-CG2 3.32Å; G1187-V1191 WeakPolarHBondContact O-CG2 3.42Å; G1187-V1191 PolarHBondContact O-N 3.16Å; G1187-V1191 VanDerWaalsContact O-N 3.14Å; T1189-V1191 VanDerWaalsContact C-N 3.35Å; T1189-V1191 PolarHBondContact O-N 3.19Å; V1191-L1193 VanDerWaalsContact C-N 3.31Å; V1191-L1193 PolarHBondContact O-N 3.19Å; V1191-L1194 HydrophobicContact CB-CD1 4.47Å; V1191-L1194 HydrophobicContact CG2-CD1 4.49Å; V1191-L1194 WeakPolarHBondContact O-CB 3.33Å; V1191-L1194 PolarHBondContact O-N 3.26Å; V1191-F1205 HydrophobicContact CG2-CZ 4.19Å; V1191-L1226 HydrophobicContact CG2-CD2 3.34Å; V1191-P1227 HydrophobicContact CG1-CG 3.92Å; V1191-P1227 HydrophobicContact CG2-CG 4.31Å; V1191-L1282 HydrophobicContact CB-CD1 4.18Å; V1191-L1282 HydrophobicContact CG1-CD1 4.37Å; V1191-L1282 HydrophobicContact CG1-CD2 4.14Å; V1191-L1282 HydrophobicContact CG2-CD1 4.27Å |
| 1192 | G | 80.1 | Confident | 83.3 | Confident | 33.2 Ų | 33.2 | 23.5 Ų | 23.5 | 34% | 0.342 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.5 | -26.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1188 T1189 L1190 L1194 S1195 | A1188-G1192 PolarHBondContact O-N 3.18Å; T1189-G1192 WeakPolarHBondContact O-CA 3.33Å; T1189-G1192 PolarHBondContact O-N 3.26Å; T1189-G1192 VanDerWaalsContact O-N 3.11Å; L1190-G1192 PolarHBondContact O-N 3.33Å; G1192-L1194 VanDerWaalsContact C-N 3.29Å; G1192-L1194 PolarHBondContact O-N 3.06Å; G1192-S1195 PolarHBondContact O-OG 3.17Å |
| 1193 | L | 82.9 | Confident | 83.4 | Confident | 0.8 Ų | 0.8 | 26.6 Ų | 26.6 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -85.9 | -10.7 | -179.7 | -74 | 170.6 | 0 | 0 | 0 | 114.2 | M1152 V1163 V1164 W1167 T1189 L1190 V1191 S1195 S1196 D1197 V1201 | M1152-L1193 HydrophobicContact CE-CD1 4.37Å; M1152-L1193 HydrophobicContact CE-CD2 3.58Å; M1152-L1193 HydrophobicContact CE-CG 3.62Å; M1152-L1193 HydrophobicContact SD-CD1 3.95Å; M1152-L1193 HydrophobicContact SD-CD2 3.46Å; M1152-L1193 VanDerWaalsContact SD-CD2 3.54Å; M1152-L1193 WeakPolarHBondContact SD-CD2 3.31Å; M1152-L1193 HydrophobicContact SD-CG 3.7Å; M1152-L1193 VanDerWaalsContact SD-CG 3.56Å; V1163-L1193 HydrophobicContact CG1-CD2 4.06Å; V1164-L1193 HydrophobicContact CG2-CB 4.15Å; V1164-L1193 HydrophobicContact CG2-CD1 4.34Å; V1164-L1193 HydrophobicContact CG2-CD2 4.15Å; V1164-L1193 HydrophobicContact CG2-CG 4.37Å; W1167-L1193 HydrophobicContact CB-CD1 4.41Å; W1167-L1193 VanDerWaalsContact CD1-CD1 3.47Å; W1167-L1193 HydrophobicContact CD2-CD1 4.47Å; W1167-L1193 HydrophobicContact CG-CD1 3.87Å; T1189-L1193 PolarHBondContact O-N 3.15Å; L1190-L1193 HydrophobicContact CD2-CD1 4.35Å; L1190-L1193 WeakPolarHBondContact O-CB 3.38Å; L1190-L1193 PolarHBondContact O-N 3.19Å; L1190-L1193 VanDerWaalsContact O-N 3.11Å; V1191-L1193 VanDerWaalsContact C-N 3.31Å; V1191-L1193 PolarHBondContact O-N 3.19Å; L1193-S1195 PolarHBondContact O-N 3.02Å; L1193-S1195 VanDerWaalsContact O-N 3.13Å; L1193-S1196 WeakPolarHBondContact O-CB 3.31Å; L1193-S1196 PolarHBondContact O-N 3.15Å; L1193-D1197 PolarHBondContact O-N 3.36Å; L1193-V1201 HydrophobicContact CB-CG2 3.83Å |
| 1194 | L | 80.1 | Confident | 83.3 | Confident | 32.2 Ų | 32.2 | 26.7 Ų | 26.7 | 17% | 0.169 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.4 | -178.9 | -149.1 | 93.1 | 0 | 0 | 0 | 112.5 | L1190 V1191 G1192 S1196 S1198 V1201 V1202 F1205 L1229 L1232 | L1190-L1194 PolarHBondContact O-N 3.19Å; V1191-L1194 HydrophobicContact CB-CD1 4.47Å; V1191-L1194 HydrophobicContact CG2-CD1 4.49Å; V1191-L1194 WeakPolarHBondContact O-CB 3.33Å; V1191-L1194 PolarHBondContact O-N 3.26Å; G1192-L1194 VanDerWaalsContact C-N 3.29Å; G1192-L1194 PolarHBondContact O-N 3.06Å; L1194-S1196 VanDerWaalsContact C-N 3.29Å; L1194-S1196 PolarHBondContact O-N 3.16Å; L1194-S1198 PolarHBondContact O-N 3.23Å; L1194-V1201 HydrophobicContact CD1-CB 4.2Å; L1194-V1201 HydrophobicContact CD1-CG1 3.98Å; L1194-V1201 HydrophobicContact CD2-CB 4.42Å; L1194-V1201 HydrophobicContact CD2-CG1 4.12Å; L1194-V1201 HydrophobicContact CG-CB 4.41Å; L1194-V1201 HydrophobicContact CG-CG1 3.8Å; L1194-V1202 HydrophobicContact CD1-CG2 4.34Å; L1194-V1202 HydrophobicContact CD2-CG2 4.5Å; L1194-F1205 HydrophobicContact CD1-CE2 4.16Å; L1194-L1229 HydrophobicContact CD1-CD1 3.89Å; L1194-L1229 HydrophobicContact CD2-CD1 3.71Å; L1194-L1229 HydrophobicContact CD2-CD2 4.05Å; L1194-L1229 HydrophobicContact CD2-CG 4.36Å; L1194-L1229 HydrophobicContact CG-CD1 4.41Å; L1194-L1232 HydrophobicContact CD1-CD1 4.4Å |
| 1195 | S | 74.8 | Confident | 83.3 | Confident | 91.2 Ų | 91.2 | 26 Ų | 26 | 64% | 0.638 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -22.8 | 175 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | G1192 L1193 | G1192-S1195 PolarHBondContact O-OG 3.17Å; L1193-S1195 PolarHBondContact O-N 3.02Å; L1193-S1195 VanDerWaalsContact O-N 3.13Å |
| 1196 | S | 74.4 | Confident | 83.4 | Confident | 19.2 Ų | 19.2 | 28 Ų | 28 | 13% | 0.134 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -44.7 | -175 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | N1155 L1193 L1194 | N1155-S1196 WeakPolarHBondContact CA-OG 3.17Å; N1155-S1196 WeakPolarHBondContact CB-OG 3.48Å; N1155-S1196 WeakPolarHBondContact O-CB 3.27Å; N1155-S1196 PolarHBondContact O-OG 3.12Å; L1193-S1196 WeakPolarHBondContact O-CB 3.31Å; L1193-S1196 PolarHBondContact O-N 3.15Å; L1194-S1196 VanDerWaalsContact C-N 3.29Å; L1194-S1196 PolarHBondContact O-N 3.16Å |
| 1197 | D | 77.5 | Confident | 83.3 | Confident | 20.2 Ų | 20.2 | 29 Ų | 29 | 11% | 0.108 | 17% | 0.174 | C | C | . | . | trans | -153.9 | 90.4 | 179.1 | -166.5 | -19.3 | 0 | 0 | 0 | 109.7 | K1161 V1164 L1193 D1199 Q1200 V1201 | K1161-D1197 HydrophobicContact CG-CB 4.25Å; K1161-D1197 WeakPolarHBondContact CG-OD2 3.27Å; V1164-D1197 HydrophobicContact CB-CB 4.29Å; V1164-D1197 HydrophobicContact CG1-CB 4.38Å; V1164-D1197 HydrophobicContact CG2-CB 4.11Å; L1193-D1197 PolarHBondContact O-N 3.36Å; D1197-D1199 VanDerWaalsContact C-N 3.3Å; D1197-D1199 PolarHBondContact O-N 3.09Å; D1197-D1199 PolarHBondContact OD1-N 3.35Å; D1197-Q1200 HydrophobicContact CB-CB 4.26Å; D1197-Q1200 WeakPolarHBondContact OD1-CG 3.25Å; D1197-Q1200 PolarHBondContact OD1-N 3.2Å; D1197-Q1200 VanDerWaalsContact OD2-CG 3.29Å; D1197-Q1200 WeakPolarHBondContact OD2-CG 3.34Å; D1197-Q1200 PolarHBondContact OD2-NE2 3.16Å; D1197-V1201 WeakPolarHBondContact O-CB 3.32Å; D1197-V1201 VanDerWaalsContact O-CG2 3.22Å; D1197-V1201 WeakPolarHBondContact O-CG2 3.38Å; D1197-V1201 PolarHBondContact O-N 3.06Å; D1197-V1201 VanDerWaalsContact O-N 3.13Å | ||
| 1198 | S | 80.7 | Confident | 83.2 | Confident | 54.4 Ų | 54.4 | 29 Ų | 29 | 38% | 0.38 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.7 | -44.3 | -175.8 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | L1194 V1201 V1202 | L1194-S1198 PolarHBondContact O-N 3.23Å; S1198-V1201 PolarHBondContact O-N 3.19Å; S1198-V1202 VanDerWaalsContact O-CB 3.31Å; S1198-V1202 WeakPolarHBondContact O-CB 3.35Å; S1198-V1202 WeakPolarHBondContact O-CG2 3.15Å; S1198-V1202 PolarHBondContact O-N 3.05Å |
| 1199 | D | 82.4 | Confident | 83.2 | Confident | 109.8 Ų | 109.8 | 28.7 Ų | 28.7 | 59% | 0.587 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -68.5 | -47.5 | -169.5 | -59.1 | -10.3 | 0 | 0 | 0 | 110.8 | D1197 V1201 V1202 D1203 | D1197-D1199 VanDerWaalsContact C-N 3.3Å; D1197-D1199 PolarHBondContact O-N 3.09Å; D1197-D1199 PolarHBondContact OD1-N 3.35Å; D1199-V1201 VanDerWaalsContact C-N 3.34Å; D1199-V1201 PolarHBondContact O-N 3.19Å; D1199-V1202 PolarHBondContact O-N 3.27Å; D1199-D1203 VanDerWaalsContact O-CG 3.3Å; D1199-D1203 PolarHBondContact O-N 3.06Å |
| 1200 | Q | 83.1 | Confident | 83.1 | Confident | 39.2 Ų | 39.2 | 32.6 Ų | 32.6 | 18% | 0.183 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.3 | -31.9 | 178.2 | -73 | -103.5 | -11.8 | 0 | 0 | 113.1 | V1164 D1197 V1202 D1203 L1204 | V1164-Q1200 HydrophobicContact CB-CB 4.43Å; V1164-Q1200 HydrophobicContact CG1-CB 3.52Å; V1164-Q1200 VanDerWaalsContact CG1-CB 3.49Å; V1164-Q1200 HydrophobicContact CG1-CG 4.49Å; D1197-Q1200 HydrophobicContact CB-CB 4.26Å; D1197-Q1200 WeakPolarHBondContact OD1-CG 3.25Å; D1197-Q1200 PolarHBondContact OD1-N 3.2Å; D1197-Q1200 VanDerWaalsContact OD2-CG 3.29Å; D1197-Q1200 WeakPolarHBondContact OD2-CG 3.34Å; D1197-Q1200 PolarHBondContact OD2-NE2 3.16Å; Q1200-V1202 VanDerWaalsContact C-N 3.34Å; Q1200-D1203 PolarHBondContact NE2-OD2 3.45Å; Q1200-D1203 WeakPolarHBondContact O-CB 3.36Å; Q1200-D1203 PolarHBondContact O-N 2.93Å; Q1200-L1204 WeakPolarHBondContact O-CD1 3.41Å; Q1200-L1204 WeakPolarHBondContact O-CG 3.42Å; Q1200-L1204 PolarHBondContact O-N 3.14Å; Q1200-L1204 VanDerWaalsContact O-N 3.1Å |
| 1201 | V | 85.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.3 | -39.1 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | V1164 L1190 L1193 L1194 D1197 S1198 D1199 L1204 F1205 | V1164-V1201 HydrophobicContact CG1-CG2 3.86Å; V1164-V1201 HydrophobicContact CG2-CG2 3.91Å; L1190-V1201 HydrophobicContact CB-CG1 4.28Å; L1190-V1201 HydrophobicContact CD2-CG1 4.48Å; L1190-V1201 WeakPolarHBondContact O-CG1 3.4Å; L1193-V1201 HydrophobicContact CB-CG2 3.83Å; L1194-V1201 HydrophobicContact CD1-CB 4.2Å; L1194-V1201 HydrophobicContact CD1-CG1 3.98Å; L1194-V1201 HydrophobicContact CD2-CB 4.42Å; L1194-V1201 HydrophobicContact CD2-CG1 4.12Å; L1194-V1201 HydrophobicContact CG-CB 4.41Å; L1194-V1201 HydrophobicContact CG-CG1 3.8Å; D1197-V1201 WeakPolarHBondContact O-CB 3.32Å; D1197-V1201 VanDerWaalsContact O-CG2 3.22Å; D1197-V1201 WeakPolarHBondContact O-CG2 3.38Å; D1197-V1201 PolarHBondContact O-N 3.06Å; D1197-V1201 VanDerWaalsContact O-N 3.13Å; S1198-V1201 PolarHBondContact O-N 3.19Å; D1199-V1201 VanDerWaalsContact C-N 3.34Å; D1199-V1201 PolarHBondContact O-N 3.19Å; V1201-L1204 WeakPolarHBondContact O-CB 3.28Å; V1201-L1204 PolarHBondContact O-N 3.25Å; V1201-L1204 VanDerWaalsContact O-N 3.13Å; V1201-F1205 HydrophobicContact CG1-CD2 3.91Å; V1201-F1205 HydrophobicContact CG1-CE2 3.68Å; V1201-F1205 VanDerWaalsContact O-CD2 3.29Å; V1201-F1205 WeakPolarHBondContact O-CD2 3.35Å; V1201-F1205 PolarHBondContact O-N 3.16Å |
| 1202 | V | 86.2 | Confident | 82.8 | Confident | 19.8 Ų | 19.8 | 39.7 Ų | 39.7 | 12% | 0.12 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 173.3 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | L1194 S1198 D1199 Q1200 L1204 F1205 H1206 A1231 L1232 | L1194-V1202 HydrophobicContact CD1-CG2 4.34Å; L1194-V1202 HydrophobicContact CD2-CG2 4.5Å; S1198-V1202 VanDerWaalsContact O-CB 3.31Å; S1198-V1202 WeakPolarHBondContact O-CB 3.35Å; S1198-V1202 WeakPolarHBondContact O-CG2 3.15Å; S1198-V1202 PolarHBondContact O-N 3.05Å; D1199-V1202 PolarHBondContact O-N 3.27Å; Q1200-V1202 VanDerWaalsContact C-N 3.34Å; V1202-L1204 PolarHBondContact O-N 3.12Å; V1202-F1205 CarbonylContact O-C 3.57Å; V1202-F1205 PolarHBondContact O-N 3.14Å; V1202-F1205 VanDerWaalsContact O-N 3.11Å; V1202-H1206 WeakPolarHBondContact CG1-CE1 3.31Å; V1202-H1206 VanDerWaalsContact CG1-ND1 3.34Å; V1202-H1206 WeakPolarHBondContact CG1-ND1 3.39Å; V1202-H1206 PolarHBondContact O-N 3.23Å; V1202-H1206 PolarHBondContact O-ND1 3.08Å; V1202-A1231 HydrophobicContact CG2-CB 3.79Å; V1202-A1231 WeakPolarHBondContact CG2-O 3.16Å; V1202-L1232 HydrophobicContact CB-CD2 4.3Å; V1202-L1232 HydrophobicContact CG1-CD2 4.26Å; V1202-L1232 HydrophobicContact CG2-CD2 3.97Å; V1202-L1232 HydrophobicContact CG2-CG 4.49Å |
| 1203 | D | 86.9 | Confident | 82.8 | Confident | 75.8 Ų | 75.8 | 43.7 Ų | 43.7 | 41% | 0.405 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.3 | -37.8 | 172 | -77.4 | -10.5 | 0 | 0 | 0 | 112.3 | R1168 D1199 Q1200 H1206 Y1207 | R1168-D1203 IonicContact CZ-OD2 3.88Å; R1168-D1203 IonicContact NH1-OD2 2.73Å; R1168-D1203 PolarHBondContact NH1-OD2 3.13Å; R1168-D1203 VanDerWaalsContact NH1-OD2 3.13Å; R1168-D1203 IonicContact NH2-OD2 3.97Å; D1199-D1203 VanDerWaalsContact O-CG 3.3Å; D1199-D1203 PolarHBondContact O-N 3.06Å; Q1200-D1203 PolarHBondContact NE2-OD2 3.45Å; Q1200-D1203 WeakPolarHBondContact O-CB 3.36Å; Q1200-D1203 PolarHBondContact O-N 2.93Å; D1203-H1206 PolarHBondContact O-N 3.11Å; D1203-Y1207 WeakPolarHBondContact O-CB 3.31Å; D1203-Y1207 PolarHBondContact O-N 3.18Å |
| 1204 | L | 86.5 | Confident | 82.6 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70 | -39.8 | 177.5 | -83.1 | 153.9 | 0 | 0 | 0 | 112.3 | V1164 W1167 R1168 I1171 L1190 Q1200 V1201 V1202 H1206 Y1207 L1208 | V1164-L1204 HydrophobicContact CG1-CD1 4.35Å; W1167-L1204 HydrophobicContact CB-CD2 4.43Å; R1168-L1204 HydrophobicContact CB-CD1 3.91Å; R1168-L1204 HydrophobicContact CB-CD2 4.07Å; R1168-L1204 HydrophobicContact CB-CG 4.3Å; R1168-L1204 HydrophobicContact CG-CD1 3.67Å; R1168-L1204 HydrophobicContact CG-CD2 3.97Å; R1168-L1204 HydrophobicContact CG-CG 4.36Å; I1171-L1204 HydrophobicContact CB-CD2 4.26Å; I1171-L1204 HydrophobicContact CD1-CD1 4.4Å; I1171-L1204 HydrophobicContact CD1-CD2 3.99Å; I1171-L1204 HydrophobicContact CG2-CD2 4.28Å; L1190-L1204 HydrophobicContact CD1-CB 4.39Å; L1190-L1204 HydrophobicContact CD2-CB 4.42Å; L1190-L1204 HydrophobicContact CD2-CD1 3.81Å; L1190-L1204 HydrophobicContact CD2-CD2 3.56Å; Q1200-L1204 WeakPolarHBondContact O-CD1 3.41Å; Q1200-L1204 WeakPolarHBondContact O-CG 3.42Å; Q1200-L1204 PolarHBondContact O-N 3.14Å; Q1200-L1204 VanDerWaalsContact O-N 3.1Å; V1201-L1204 WeakPolarHBondContact O-CB 3.28Å; V1201-L1204 PolarHBondContact O-N 3.25Å; V1201-L1204 VanDerWaalsContact O-N 3.13Å; V1202-L1204 PolarHBondContact O-N 3.12Å; L1204-H1206 VanDerWaalsContact C-N 3.35Å; L1204-Y1207 WeakPolarHBondContact O-CB 3.37Å; L1204-Y1207 PolarHBondContact O-N 3.04Å; L1204-L1208 WeakPolarHBondContact O-CG 3.38Å; L1204-L1208 PolarHBondContact O-N 3.06Å |
| 1205 | F | 87.4 | Confident | 82.5 | Confident | 0.2 Ų | 0.2 | 55.8 Ų | 55.8 | 0% | 0.001 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 171.5 | -79.3 | -65.3 | 0 | 0 | 0 | 111.1 | L1190 V1191 L1194 V1201 V1202 Y1207 L1208 F1209 L1226 L1232 | L1190-F1205 HydrophobicContact CB-CE1 4.25Å; L1190-F1205 HydrophobicContact CB-CE2 3.81Å; L1190-F1205 HydrophobicContact CB-CZ 3.54Å; L1190-F1205 HydrophobicContact CD1-CD1 4.47Å; L1190-F1205 HydrophobicContact CD1-CE1 4.22Å; L1190-F1205 HydrophobicContact CD1-CZ 4.27Å; V1191-F1205 HydrophobicContact CG2-CZ 4.19Å; L1194-F1205 HydrophobicContact CD1-CE2 4.16Å; V1201-F1205 HydrophobicContact CG1-CD2 3.91Å; V1201-F1205 HydrophobicContact CG1-CE2 3.68Å; V1201-F1205 VanDerWaalsContact O-CD2 3.29Å; V1201-F1205 WeakPolarHBondContact O-CD2 3.35Å; V1201-F1205 PolarHBondContact O-N 3.16Å; V1202-F1205 CarbonylContact O-C 3.57Å; V1202-F1205 PolarHBondContact O-N 3.14Å; V1202-F1205 VanDerWaalsContact O-N 3.11Å; F1205-Y1207 VanDerWaalsContact C-N 3.3Å; F1205-Y1207 PolarHBondContact O-N 3.18Å; F1205-L1208 PolarHBondContact O-N 3.15Å; F1205-L1208 VanDerWaalsContact O-N 3.15Å; F1205-F1209 HydrophobicContact CB-CD2 4.45Å; F1205-F1209 HydrophobicContact CD1-CD2 4.29Å; F1205-F1209 AromaticContact CD1-CE2 3.96Å; F1205-F1209 HydrophobicContact CD1-CE2 3.98Å; F1205-F1209 WeakPolarHBondContact O-CB 3.39Å; F1205-F1209 VanDerWaalsContact O-CD2 3.32Å; F1205-F1209 WeakPolarHBondContact O-CD2 3.43Å; F1205-F1209 PolarHBondContact O-N 3.09Å; F1205-L1226 HydrophobicContact CD1-CD1 4.32Å; F1205-L1226 HydrophobicContact CE1-CD1 3.79Å; F1205-L1226 HydrophobicContact CE1-CD2 4.05Å; F1205-L1226 HydrophobicContact CZ-CD1 4.49Å; F1205-L1226 HydrophobicContact CZ-CD2 4.13Å; F1205-L1232 HydrophobicContact CB-CD2 3.78Å; F1205-L1232 HydrophobicContact CD2-CD1 3.93Å; F1205-L1232 HydrophobicContact CD2-CD2 3.49Å; F1205-L1232 HydrophobicContact CD2-CG 4.33Å; F1205-L1232 HydrophobicContact CE2-CD1 3.87Å; F1205-L1232 HydrophobicContact CE2-CD2 4.25Å; F1205-L1232 HydrophobicContact CG-CD1 4.2Å; F1205-L1232 HydrophobicContact CG-CD2 3.81Å; F1205-L1232 HydrophobicContact CZ-CD1 4.36Å |
| 1206 | H | 87 | Confident | 82.7 | Confident | 50.6 Ų | 50.6 | 51.8 Ų | 51.8 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 173.8 | -71.4 | 109.5 | 0 | 0 | 0 | 112.1 | V1202 D1203 L1204 L1208 L1210 E1211 T1234 | V1202-H1206 WeakPolarHBondContact CG1-CE1 3.31Å; V1202-H1206 VanDerWaalsContact CG1-ND1 3.34Å; V1202-H1206 WeakPolarHBondContact CG1-ND1 3.39Å; V1202-H1206 PolarHBondContact O-N 3.23Å; V1202-H1206 PolarHBondContact O-ND1 3.08Å; D1203-H1206 PolarHBondContact O-N 3.11Å; L1204-H1206 VanDerWaalsContact C-N 3.35Å; H1206-L1208 PolarHBondContact O-N 3.33Å; H1206-L1210 HydrophobicContact CB-CD1 4.15Å; H1206-L1210 WeakPolarHBondContact O-CA 3.31Å; H1206-L1210 WeakPolarHBondContact O-CB 3.39Å; H1206-L1210 PolarHBondContact O-N 3.19Å; H1206-E1211 PolarHBondContact O-N 3.15Å; H1206-T1234 PolarHBondContact NE2-OG1 2.93Å; H1206-T1234 VanDerWaalsContact NE2-OG1 3.1Å |
| 1207 | Y | 86.5 | Confident | 82.8 | Confident | 20.4 Ų | 20.4 | 52.3 Ų | 52.3 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -59.2 | -45.6 | 173.2 | 176 | -98.4 | 0 | 0 | 0 | 112.3 | I1171 R1172 D1203 L1204 F1205 E1211 K1212 | I1171-Y1207 HydrophobicContact CG2-CD1 4.12Å; I1171-Y1207 HydrophobicContact CG2-CE1 4.03Å; R1172-Y1207 HydrophobicContact CG-CD1 4.4Å; R1172-Y1207 HydrophobicContact CG-CD2 4.48Å; R1172-Y1207 HydrophobicContact CG-CE1 4.12Å; R1172-Y1207 HydrophobicContact CG-CE2 4.17Å; D1203-Y1207 WeakPolarHBondContact O-CB 3.31Å; D1203-Y1207 PolarHBondContact O-N 3.18Å; L1204-Y1207 WeakPolarHBondContact O-CB 3.37Å; L1204-Y1207 PolarHBondContact O-N 3.04Å; F1205-Y1207 VanDerWaalsContact C-N 3.3Å; F1205-Y1207 PolarHBondContact O-N 3.18Å; Y1207-E1211 HydrophobicContact CD2-CB 4.11Å; Y1207-E1211 HydrophobicContact CD2-CG 4.34Å; Y1207-E1211 WeakPolarHBondContact CD2-OE2 3.29Å; Y1207-E1211 HydrophobicContact CE2-CB 4.44Å; Y1207-E1211 VanDerWaalsContact CE2-OE2 3.3Å; Y1207-E1211 WeakPolarHBondContact CE2-OE2 3.42Å; Y1207-E1211 WeakPolarHBondContact O-CB 3.35Å; Y1207-E1211 PolarHBondContact O-N 3.21Å; Y1207-K1212 HydrophobicContact CD1-CG 4.47Å; Y1207-K1212 HydrophobicContact CE1-CG 3.93Å; Y1207-K1212 HydrophobicContact CE2-CG 4.38Å; Y1207-K1212 PolarHBondContact O-N 3.29Å; Y1207-K1212 VanDerWaalsContact O-N 3.11Å; Y1207-K1212 WeakPolarHBondContact OH-CE 3.28Å |
| 1208 | L | 85.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -69.3 | -45.8 | 179.1 | -66.9 | 173.5 | 0 | 0 | 0 | 112.5 | I1171 L1179 L1190 L1204 F1205 H1206 I1216 | I1171-L1208 HydrophobicContact CG2-CD2 3.96Å; L1179-L1208 HydrophobicContact CD1-CD2 3.95Å; L1179-L1208 HydrophobicContact CD2-CD2 4.19Å; L1179-L1208 HydrophobicContact CG-CD2 4.33Å; L1190-L1208 HydrophobicContact CD1-CD1 3.92Å; L1204-L1208 WeakPolarHBondContact O-CG 3.38Å; L1204-L1208 PolarHBondContact O-N 3.06Å; F1205-L1208 PolarHBondContact O-N 3.15Å; F1205-L1208 VanDerWaalsContact O-N 3.15Å; H1206-L1208 PolarHBondContact O-N 3.33Å; L1208-I1216 HydrophobicContact CD2-CD1 4.46Å |
| 1209 | F | 83.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -84.5 | -26.6 | -172.9 | -82.6 | -82.8 | 0 | 0 | 0 | 114.6 | F1205 R1213 L1220 L1223 L1226 C1235 I1238 L1239 | F1205-F1209 HydrophobicContact CB-CD2 4.45Å; F1205-F1209 HydrophobicContact CD1-CD2 4.29Å; F1205-F1209 AromaticContact CD1-CE2 3.96Å; F1205-F1209 HydrophobicContact CD1-CE2 3.98Å; F1205-F1209 WeakPolarHBondContact O-CB 3.39Å; F1205-F1209 VanDerWaalsContact O-CD2 3.32Å; F1205-F1209 WeakPolarHBondContact O-CD2 3.43Å; F1205-F1209 PolarHBondContact O-N 3.09Å; F1209-R1213 WeakPolarHBondContact O-CB 3.35Å; F1209-L1220 HydrophobicContact CD1-CD1 4.25Å; F1209-L1220 HydrophobicContact CD1-CD2 4.25Å; F1209-L1220 HydrophobicContact CE1-CB 4.41Å; F1209-L1220 HydrophobicContact CE1-CD1 4.5Å; F1209-L1220 HydrophobicContact CE1-CD2 4.17Å; F1209-L1220 HydrophobicContact CZ-CD2 4.45Å; F1209-L1223 HydrophobicContact CE2-CD1 4Å; F1209-L1223 HydrophobicContact CZ-CB 4.3Å; F1209-L1223 HydrophobicContact CZ-CD1 3.8Å; F1209-L1226 HydrophobicContact CE2-CD1 3.97Å; F1209-L1226 HydrophobicContact CZ-CD1 3.99Å; F1209-C1235 HydrophobicContact CB-CB 4.44Å; F1209-C1235 HydrophobicContact CD1-CB 4.43Å; F1209-C1235 HydrophobicContact CD2-CB 3.81Å; F1209-C1235 HydrophobicContact CE1-CB 4.49Å; F1209-C1235 HydrophobicContact CE2-CB 4.04Å; F1209-C1235 HydrophobicContact CG-CB 4.03Å; F1209-C1235 HydrophobicContact CZ-CB 4.3Å; F1209-I1238 HydrophobicContact CB-CD1 4.11Å; F1209-I1238 HydrophobicContact CD1-CB 4.24Å; F1209-I1238 HydrophobicContact CD1-CD1 4.37Å; F1209-I1238 HydrophobicContact CD1-CG2 3.96Å; F1209-I1238 HydrophobicContact CE1-CG2 4.45Å; F1209-L1239 HydrophobicContact CE1-CD1 4.2Å; F1209-L1239 HydrophobicContact CE1-CD2 3.64Å; F1209-L1239 HydrophobicContact CE1-CG 3.57Å; F1209-L1239 VanDerWaalsContact CE1-CG 3.48Å; F1209-L1239 HydrophobicContact CZ-CD1 3.89Å; F1209-L1239 HydrophobicContact CZ-CD2 3.86Å; F1209-L1239 HydrophobicContact CZ-CG 3.77Å |
| 1210 | L | 83.5 | Confident | 82.6 | Confident | 93.2 Ų | 93.2 | 56 Ų | 56 | 49% | 0.488 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -108.9 | -58.1 | -176.9 | -55.6 | 178 | 0 | 0 | 0 | 111.7 | H1206 I1238 | H1206-L1210 HydrophobicContact CB-CD1 4.15Å; H1206-L1210 WeakPolarHBondContact O-CA 3.31Å; H1206-L1210 WeakPolarHBondContact O-CB 3.39Å; H1206-L1210 PolarHBondContact O-N 3.19Å; L1210-I1238 HydrophobicContact CD2-CD1 3.6Å; L1210-I1238 VanDerWaalsContact CD2-CD1 3.47Å |
| 1211 | E | 83 | Confident | 82.6 | Confident | 130.4 Ų | 130.4 | 56 Ų | 56 | 61% | 0.609 | 27% | 0.272 | S | S | * | . | I | π-helix | trans | -72.1 | -36.2 | -174.5 | -65 | -177.3 | -150.6 | 0 | 0 | 112.7 | H1206 Y1207 | H1206-E1211 PolarHBondContact O-N 3.15Å; Y1207-E1211 HydrophobicContact CD2-CB 4.11Å; Y1207-E1211 HydrophobicContact CD2-CG 4.34Å; Y1207-E1211 WeakPolarHBondContact CD2-OE2 3.29Å; Y1207-E1211 HydrophobicContact CE2-CB 4.44Å; Y1207-E1211 VanDerWaalsContact CE2-OE2 3.3Å; Y1207-E1211 WeakPolarHBondContact CE2-OE2 3.42Å; Y1207-E1211 WeakPolarHBondContact O-CB 3.35Å; Y1207-E1211 PolarHBondContact O-N 3.21Å |
| 1212 | K | 81.6 | Confident | 82.4 | Confident | 41.6 Ų | 41.6 | 57.2 Ų | 57.2 | 18% | 0.181 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -99.9 | 7.5 | -178.6 | -68.5 | -62.6 | -167.6 | 175.8 | 0 | 114.5 | L1179 Y1207 E1214 Q1215 I1216 | L1179-K1212 HydrophobicContact CD2-CG 4.44Å; Y1207-K1212 HydrophobicContact CD1-CG 4.47Å; Y1207-K1212 HydrophobicContact CE1-CG 3.93Å; Y1207-K1212 HydrophobicContact CE2-CG 4.38Å; Y1207-K1212 PolarHBondContact O-N 3.29Å; Y1207-K1212 VanDerWaalsContact O-N 3.11Å; Y1207-K1212 WeakPolarHBondContact OH-CE 3.28Å; K1212-E1214 VanDerWaalsContact C-N 3.34Å; K1212-E1214 PolarHBondContact O-N 3.23Å; K1212-Q1215 VanDerWaalsContact CD-OE1 3.29Å; K1212-Q1215 PolarHBondContact O-N 3.04Å; K1212-Q1215 VanDerWaalsContact O-N 3.08Å; K1212-I1216 HydrophobicContact CB-CD1 3.8Å; K1212-I1216 HydrophobicContact CB-CG1 4.3Å; K1212-I1216 WeakPolarHBondContact O-CG1 3.38Å; K1212-I1216 PolarHBondContact O-N 3.03Å; K1212-I1216 VanDerWaalsContact O-N 3.07Å |
| 1213 | R | 79.7 | Confident | 82.3 | Confident | 116.2 Ų | 116.2 | 56.3 Ų | 56.3 | 44% | 0.438 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.8 | -44.8 | -177.2 | -167.5 | 177.9 | 175.4 | -116.8 | -0.3 | 113.4 | F1209 Q1215 G1217 L1220 | F1209-R1213 WeakPolarHBondContact O-CB 3.35Å; R1213-Q1215 PolarHBondContact O-N 3.18Å; R1213-G1217 WeakPolarHBondContact O-CA 3.36Å; R1213-G1217 PolarHBondContact O-N 3.24Å; R1213-L1220 HydrophobicContact CG-CD1 4.17Å |
| 1214 | E | 78.1 | Confident | 82.1 | Confident | 193 Ų | 193 | 52.9 Ų | 52.9 | 90% | 0.902 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.3 | -26.1 | -179.4 | -65.2 | -178.3 | 175.8 | 0 | 0 | 112.9 | K1212 | K1212-E1214 VanDerWaalsContact C-N 3.34Å; K1212-E1214 PolarHBondContact O-N 3.23Å |
| 1215 | Q | 78.7 | Confident | 81.8 | Confident | 95.6 Ų | 95.6 | 52.8 Ų | 52.8 | 45% | 0.447 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -87.2 | -44.4 | -177.8 | -60.7 | -177.3 | -1.2 | 0 | 0 | 111.1 | P1176 E1180 K1212 R1213 | P1176-Q1215 HydrophobicContact CB-CB 4.25Å; E1180-Q1215 VanDerWaalsContact OE1-O 3.04Å; K1212-Q1215 VanDerWaalsContact CD-OE1 3.29Å; K1212-Q1215 PolarHBondContact O-N 3.04Å; K1212-Q1215 VanDerWaalsContact O-N 3.08Å; R1213-Q1215 PolarHBondContact O-N 3.18Å |
| 1216 | I | 78.7 | Confident | 81.5 | Confident | 6.8 Ų | 6.8 | 53.1 Ų | 53.1 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -83.3 | -29.2 | -176.1 | -56.2 | 170.3 | 0 | 0 | 0 | 111.5 | L1179 E1180 L1183 L1208 K1212 D1218 R1219 L1220 | L1179-I1216 HydrophobicContact CD2-CD1 3.93Å; L1179-I1216 HydrophobicContact CD2-CG1 4.46Å; L1179-I1216 HydrophobicContact CG-CD1 4.34Å; E1180-I1216 HydrophobicContact CG-CB 4.41Å; E1180-I1216 HydrophobicContact CG-CG1 4.39Å; E1180-I1216 HydrophobicContact CG-CG2 4.16Å; L1183-I1216 HydrophobicContact CD1-CD1 4.39Å; L1183-I1216 HydrophobicContact CD2-CG2 3.8Å; L1208-I1216 HydrophobicContact CD2-CD1 4.46Å; K1212-I1216 HydrophobicContact CB-CD1 3.8Å; K1212-I1216 HydrophobicContact CB-CG1 4.3Å; K1212-I1216 WeakPolarHBondContact O-CG1 3.38Å; K1212-I1216 PolarHBondContact O-N 3.03Å; K1212-I1216 VanDerWaalsContact O-N 3.07Å; I1216-D1218 PolarHBondContact O-N 3.16Å; I1216-R1219 HydrophobicContact CG2-CB 4Å; I1216-R1219 WeakPolarHBondContact O-CB 3.32Å; I1216-R1219 PolarHBondContact O-N 3.21Å; I1216-R1219 VanDerWaalsContact O-N 3.12Å; I1216-L1220 HydrophobicContact CB-CD2 4.38Å; I1216-L1220 HydrophobicContact CB-CG 4.17Å; I1216-L1220 HydrophobicContact CD1-CD2 4.35Å; I1216-L1220 HydrophobicContact CG2-CD2 3.85Å; I1216-L1220 HydrophobicContact CG2-CG 3.71Å |
| 1217 | G | 76.4 | Confident | 80.9 | Confident | 28.6 Ų | 28.6 | 52.2 Ų | 52.2 | 30% | 0.295 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | 51.1 | -125.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1213 R1219 L1220 | R1213-G1217 WeakPolarHBondContact O-CA 3.36Å; R1213-G1217 PolarHBondContact O-N 3.24Å; G1217-R1219 VanDerWaalsContact C-N 3.27Å; G1217-R1219 PolarHBondContact O-N 3.25Å; G1217-L1220 PolarHBondContact O-N 3.2Å |
| 1218 | D | 76 | Confident | 80.2 | Confident | 132.6 Ų | 132.6 | 56.1 Ų | 56.1 | 71% | 0.709 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -70 | -17.9 | -175.8 | -62.8 | -20.5 | 0 | 0 | 0 | 113.4 | I1216 L1220 S1221 | I1216-D1218 PolarHBondContact O-N 3.16Å; D1218-L1220 PolarHBondContact O-N 3.22Å; D1218-S1221 VanDerWaalsContact O-CB 3.23Å; D1218-S1221 WeakPolarHBondContact O-CB 3.26Å; D1218-S1221 PolarHBondContact O-N 3.07Å; D1218-S1221 PolarHBondContact O-OG 3.09Å |
| 1219 | R | 79.7 | Confident | 79.7 | Confident | 130.4 Ų | 130.4 | 58 Ų | 58 | 49% | 0.492 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -67.5 | -17 | 178.5 | -116 | -35.2 | -178 | 171.3 | 3.6 | 113 | E1180 L1183 I1216 G1217 S1221 C1222 | E1180-R1219 VanDerWaalsContact CB-NH1 3.3Å; E1180-R1219 IonicContact OE2-CZ 3.8Å; E1180-R1219 IonicContact OE2-NE 3.45Å; E1180-R1219 IonicContact OE2-NH1 2.74Å; E1180-R1219 PolarHBondContact OE2-NH1 2.97Å; E1180-R1219 IonicContact OE2-NH2 3.32Å; L1183-R1219 WeakPolarHBondContact CD2-O 3.25Å; I1216-R1219 HydrophobicContact CG2-CB 4Å; I1216-R1219 WeakPolarHBondContact O-CB 3.32Å; I1216-R1219 PolarHBondContact O-N 3.21Å; I1216-R1219 VanDerWaalsContact O-N 3.12Å; G1217-R1219 VanDerWaalsContact C-N 3.27Å; G1217-R1219 PolarHBondContact O-N 3.25Å; R1219-S1221 PolarHBondContact O-N 3.16Å; R1219-S1221 VanDerWaalsContact O-N 3.14Å; R1219-C1222 PolarHBondContact NE-SG 3.43Å; R1219-C1222 VanDerWaalsContact NE-SG 3.45Å; R1219-C1222 PolarHBondContact NH1-SG 3.09Å; R1219-C1222 VanDerWaalsContact NH1-SG 3.43Å; R1219-C1222 VanDerWaalsContact O-CB 3.29Å; R1219-C1222 WeakPolarHBondContact O-CB 3.31Å; R1219-C1222 PolarHBondContact O-N 2.98Å; R1219-C1222 PolarHBondContact O-SG 3.34Å |
| 1220 | L | 82.2 | Confident | 79.1 | Confident | 0.2 Ų | 0.2 | 62.7 Ų | 62.7 | 0% | 0.001 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -57.5 | -24.5 | 169 | -72.7 | 173.7 | 0 | 0 | 0 | 112.3 | L1183 F1209 R1213 I1216 G1217 D1218 C1222 L1223 L1239 L1242 | L1183-L1220 HydrophobicContact CD2-CD2 4.25Å; F1209-L1220 HydrophobicContact CD1-CD1 4.25Å; F1209-L1220 HydrophobicContact CD1-CD2 4.25Å; F1209-L1220 HydrophobicContact CE1-CB 4.41Å; F1209-L1220 HydrophobicContact CE1-CD1 4.5Å; F1209-L1220 HydrophobicContact CE1-CD2 4.17Å; F1209-L1220 HydrophobicContact CZ-CD2 4.45Å; R1213-L1220 HydrophobicContact CG-CD1 4.17Å; I1216-L1220 HydrophobicContact CB-CD2 4.38Å; I1216-L1220 HydrophobicContact CB-CG 4.17Å; I1216-L1220 HydrophobicContact CD1-CD2 4.35Å; I1216-L1220 HydrophobicContact CG2-CD2 3.85Å; I1216-L1220 HydrophobicContact CG2-CG 3.71Å; G1217-L1220 PolarHBondContact O-N 3.2Å; D1218-L1220 PolarHBondContact O-N 3.22Å; L1220-C1222 PolarHBondContact O-N 3.09Å; L1220-C1222 VanDerWaalsContact O-N 3.16Å; L1220-L1223 HydrophobicContact CD2-CD1 4.44Å; L1220-L1223 WeakPolarHBondContact O-CB 3.37Å; L1220-L1223 PolarHBondContact O-N 3.18Å; L1220-L1239 WeakPolarHBondContact O-CD2 3.25Å; L1220-L1242 HydrophobicContact CB-CD1 3.57Å; L1220-L1242 HydrophobicContact CD1-CD1 4.26Å |
| 1221 | S | 81.4 | Confident | 78.6 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -57.6 | -26.6 | 173.2 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | D1218 R1219 L1223 F1224 C1243 | D1218-S1221 VanDerWaalsContact O-CB 3.23Å; D1218-S1221 WeakPolarHBondContact O-CB 3.26Å; D1218-S1221 PolarHBondContact O-N 3.07Å; D1218-S1221 PolarHBondContact O-OG 3.09Å; R1219-S1221 PolarHBondContact O-N 3.16Å; R1219-S1221 VanDerWaalsContact O-N 3.14Å; S1221-L1223 PolarHBondContact O-N 3.19Å; S1221-L1223 VanDerWaalsContact O-N 3.13Å; S1221-F1224 WeakPolarHBondContact O-CB 3.33Å; S1221-F1224 WeakPolarHBondContact O-CD1 3.43Å; S1221-F1224 PolarHBondContact O-N 3.17Å; S1221-F1224 VanDerWaalsContact O-N 3.11Å; S1221-C1243 VanDerWaalsContact CA-SG 3.57Å; S1221-C1243 VanDerWaalsContact CB-SG 3.53Å; S1221-C1243 WeakPolarHBondContact CB-SG 3.34Å |
| 1222 | C | 82.6 | Confident | 78.3 | Confident | 25.2 Ų | 25.2 | 54.5 Ų | 54.5 | 17% | 0.17 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -63.6 | -18 | 175.6 | -63.3 | 0 | 0 | 0 | 0 | 113 | P1184 R1219 L1220 F1224 F1225 | P1184-C1222 HydrophobicContact CG-CB 4.28Å; R1219-C1222 PolarHBondContact NE-SG 3.43Å; R1219-C1222 VanDerWaalsContact NE-SG 3.45Å; R1219-C1222 PolarHBondContact NH1-SG 3.09Å; R1219-C1222 VanDerWaalsContact NH1-SG 3.43Å; R1219-C1222 VanDerWaalsContact O-CB 3.29Å; R1219-C1222 WeakPolarHBondContact O-CB 3.31Å; R1219-C1222 PolarHBondContact O-N 2.98Å; R1219-C1222 PolarHBondContact O-SG 3.34Å; L1220-C1222 PolarHBondContact O-N 3.09Å; L1220-C1222 VanDerWaalsContact O-N 3.16Å; C1222-F1224 VanDerWaalsContact C-N 3.27Å; C1222-F1224 PolarHBondContact O-N 3.25Å; C1222-F1225 VanDerWaalsContact O-CD1 3.3Å; C1222-F1225 WeakPolarHBondContact O-CD1 3.37Å; C1222-F1225 WeakPolarHBondContact O-CE1 3.21Å |
| 1223 | L | 83.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -87.7 | 16.7 | 175.7 | -64.5 | 179.8 | 0 | 0 | 0 | 113.5 | L1183 F1209 L1220 S1221 F1225 L1226 L1239 | L1183-L1223 HydrophobicContact CD1-CD1 3.93Å; L1183-L1223 HydrophobicContact CD2-CD1 4.15Å; L1183-L1223 HydrophobicContact CD2-CG 4.14Å; L1183-L1223 HydrophobicContact CG-CD1 3.88Å; L1183-L1223 HydrophobicContact CG-CD2 4.22Å; L1183-L1223 HydrophobicContact CG-CG 3.98Å; L1183-L1223 WeakPolarHBondContact O-CD2 3.32Å; F1209-L1223 HydrophobicContact CE2-CD1 4Å; F1209-L1223 HydrophobicContact CZ-CB 4.3Å; F1209-L1223 HydrophobicContact CZ-CD1 3.8Å; L1220-L1223 HydrophobicContact CD2-CD1 4.44Å; L1220-L1223 WeakPolarHBondContact O-CB 3.37Å; L1220-L1223 PolarHBondContact O-N 3.18Å; S1221-L1223 PolarHBondContact O-N 3.19Å; S1221-L1223 VanDerWaalsContact O-N 3.13Å; L1223-F1225 HydrophobicContact CD2-CE2 4.44Å; L1223-F1225 HydrophobicContact CD2-CZ 3.99Å; L1223-F1225 PolarHBondContact O-N 3.12Å; L1223-L1226 HydrophobicContact CB-CD1 4Å; L1223-L1226 HydrophobicContact CB-CG 4.2Å; L1223-L1226 HydrophobicContact CD1-CD1 4.29Å; L1223-L1226 HydrophobicContact CG-CD1 4.48Å; L1223-L1226 WeakPolarHBondContact O-CB 3.36Å; L1223-L1226 WeakPolarHBondContact O-CG 3.31Å; L1223-L1226 PolarHBondContact O-N 3.24Å; L1223-L1226 VanDerWaalsContact O-N 3.09Å; L1223-L1239 HydrophobicContact CB-CD2 4.2Å; L1223-L1239 WeakPolarHBondContact O-CD1 3.27Å |
| 1224 | F | 81.7 | Confident | 78.2 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24.1 | 179.7 | 74.6 | -91.8 | 0 | 0 | 0 | 113.9 | S1221 C1222 L1226 W1245 R1246 A1267 W1268 A1271 T1283 | S1221-F1224 WeakPolarHBondContact O-CB 3.33Å; S1221-F1224 WeakPolarHBondContact O-CD1 3.43Å; S1221-F1224 PolarHBondContact O-N 3.17Å; S1221-F1224 VanDerWaalsContact O-N 3.11Å; C1222-F1224 VanDerWaalsContact C-N 3.27Å; C1222-F1224 PolarHBondContact O-N 3.25Å; F1224-L1226 PolarHBondContact O-N 3.08Å; F1224-W1245 HydrophobicContact CB-CH2 3.59Å; F1224-W1245 HydrophobicContact CB-CZ2 4.1Å; F1224-W1245 HydrophobicContact CB-CZ3 4.43Å; F1224-W1245 HydrophobicContact CD1-CH2 4.18Å; F1224-W1245 AromaticContact CD2-CH2 3.61Å; F1224-W1245 HydrophobicContact CD2-CH2 3.61Å; F1224-W1245 HydrophobicContact CD2-CZ3 4.14Å; F1224-W1245 HydrophobicContact CE2-CH2 4.35Å; F1224-W1245 AromaticContact CG-CH2 3.52Å; F1224-W1245 HydrophobicContact CG-CH2 3.52Å; F1224-W1245 VanDerWaalsContact CG-CH2 3.5Å; F1224-W1245 HydrophobicContact CG-CZ2 4.27Å; F1224-W1245 HydrophobicContact CG-CZ3 4.43Å; F1224-R1246 VanDerWaalsContact C-NH2 3.28Å; F1224-R1246 HydrophobicContact CB-CG 4.44Å; F1224-R1246 VanDerWaalsContact O-CZ 3.32Å; F1224-R1246 PolarHBondContact O-NE 3.07Å; F1224-R1246 PolarHBondContact O-NH2 3.23Å; F1224-A1267 HydrophobicContact CD1-CB 4.04Å; F1224-A1267 HydrophobicContact CE1-CB 3.89Å; F1224-A1267 WeakPolarHBondContact CE1-O 3.44Å; F1224-A1267 HydrophobicContact CZ-CB 4.42Å; F1224-W1268 AromaticContact CE2-CD1 3.43Å; F1224-W1268 VanDerWaalsContact CE2-CD1 3.41Å; F1224-W1268 HydrophobicContact CE2-CG 4.32Å; F1224-W1268 AromaticContact CE2-NE1 3.57Å; F1224-W1268 VanDerWaalsContact CE2-NE1 3.29Å; F1224-W1268 AromaticContact CZ-CD1 3.59Å; F1224-W1268 VanDerWaalsContact CZ-CD1 3.44Å; F1224-W1268 HydrophobicContact CZ-CG 4.25Å; F1224-W1268 AromaticContact CZ-NE1 3.9Å; F1224-A1271 HydrophobicContact CE1-CB 3.8Å; F1224-A1271 HydrophobicContact CZ-CB 3.77Å; F1224-T1283 HydrophobicContact CE2-CG2 4.45Å; F1224-T1283 HydrophobicContact CZ-CG2 4.13Å |
| 1225 | F | 81 | Confident | 78.3 | Confident | 1.2 Ų | 1.2 | 45.6 Ų | 45.6 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.1 | -179.3 | 56.8 | -104.1 | 0 | 0 | 0 | 114.1 | P1184 A1188 C1222 L1223 A1271 V1279 L1282 T1283 S1286 | P1184-F1225 HydrophobicContact CB-CE1 4.28Å; P1184-F1225 HydrophobicContact CB-CZ 4.28Å; P1184-F1225 WeakPolarHBondContact O-CZ 3.38Å; A1188-F1225 HydrophobicContact CB-CE2 4.32Å; C1222-F1225 VanDerWaalsContact O-CD1 3.3Å; C1222-F1225 WeakPolarHBondContact O-CD1 3.37Å; C1222-F1225 WeakPolarHBondContact O-CE1 3.21Å; L1223-F1225 HydrophobicContact CD2-CE2 4.44Å; L1223-F1225 HydrophobicContact CD2-CZ 3.99Å; L1223-F1225 PolarHBondContact O-N 3.12Å; F1225-A1271 HydrophobicContact CD1-CB 4.44Å; F1225-V1279 HydrophobicContact CD1-CG1 4.33Å; F1225-V1279 HydrophobicContact CE1-CG1 3.72Å; F1225-V1279 HydrophobicContact CZ-CG1 3.98Å; F1225-V1279 HydrophobicContact CZ-CG2 4.31Å; F1225-L1282 HydrophobicContact CB-CB 4.38Å; F1225-L1282 HydrophobicContact CD2-CB 3.62Å; F1225-L1282 HydrophobicContact CD2-CD1 3.97Å; F1225-L1282 HydrophobicContact CD2-CG 4.47Å; F1225-L1282 HydrophobicContact CE2-CB 4.29Å; F1225-L1282 HydrophobicContact CE2-CD1 4.01Å; F1225-L1282 HydrophobicContact CG-CB 4.26Å; F1225-T1283 HydrophobicContact CB-CG2 3.65Å; F1225-T1283 HydrophobicContact CD1-CG2 3.54Å; F1225-T1283 VanDerWaalsContact CD1-CG2 3.47Å; F1225-T1283 HydrophobicContact CE1-CG2 4.34Å; F1225-T1283 HydrophobicContact CG-CG2 3.75Å; F1225-S1286 WeakPolarHBondContact O-CB 3.41Å |
| 1226 | L | 81.4 | Confident | 78.4 | Confident | 6.4 Ų | 6.4 | 41.8 Ų | 41.8 | 3% | 0.034 | 23% | 0.232 | C | C | . | . | trans | -61.3 | 129.7 | 179 | -72.9 | -179.4 | 0 | 0 | 0 | 111.2 | V1191 F1205 F1209 L1223 F1224 Q1236 L1239 R1246 | V1191-L1226 HydrophobicContact CG2-CD2 3.34Å; F1205-L1226 HydrophobicContact CD1-CD1 4.32Å; F1205-L1226 HydrophobicContact CE1-CD1 3.79Å; F1205-L1226 HydrophobicContact CE1-CD2 4.05Å; F1205-L1226 HydrophobicContact CZ-CD1 4.49Å; F1205-L1226 HydrophobicContact CZ-CD2 4.13Å; F1209-L1226 HydrophobicContact CE2-CD1 3.97Å; F1209-L1226 HydrophobicContact CZ-CD1 3.99Å; L1223-L1226 HydrophobicContact CB-CD1 4Å; L1223-L1226 HydrophobicContact CB-CG 4.2Å; L1223-L1226 HydrophobicContact CD1-CD1 4.29Å; L1223-L1226 HydrophobicContact CG-CD1 4.48Å; L1223-L1226 WeakPolarHBondContact O-CB 3.36Å; L1223-L1226 WeakPolarHBondContact O-CG 3.31Å; L1223-L1226 PolarHBondContact O-N 3.24Å; L1223-L1226 VanDerWaalsContact O-N 3.09Å; F1224-L1226 PolarHBondContact O-N 3.08Å; L1226-Q1236 PolarHBondContact O-NE2 3.01Å; L1226-L1239 HydrophobicContact CB-CD1 4.2Å; L1226-L1239 HydrophobicContact CD1-CD1 4.05Å; L1226-L1239 HydrophobicContact CG-CD1 4.39Å; L1226-R1246 PolarHBondContact O-NH2 3.2Å; L1226-R1246 VanDerWaalsContact O-NH2 3.16Å | ||
| 1227 | P | 74 | Confident | 78.5 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 20% | 0.201 | 26% | 0.258 | C | S | . | . | trans | -65.8 | 149.6 | -177.9 | 26.7 | -33.9 | 0 | 0 | 0 | 112 | V1191 L1229 Q1236 | V1191-P1227 HydrophobicContact CG1-CG 3.92Å; V1191-P1227 HydrophobicContact CG2-CG 4.31Å; P1227-L1229 VanDerWaalsContact C-N 3.32Å; P1227-L1229 HydrophobicContact CB-CD1 4.32Å; P1227-L1229 HydrophobicContact CB-CG 4.26Å; P1227-L1229 HydrophobicContact CG-CD1 3.82Å; P1227-L1229 HydrophobicContact CG-CG 4.07Å; P1227-L1229 PolarHBondContact O-N 3.02Å; P1227-Q1236 VanDerWaalsContact C-NE2 3.34Å; P1227-Q1236 PolarHBondContact O-NE2 3.24Å | ||
| 1228 | R | 72.2 | Confident | 78.7 | Confident | 102.2 Ų | 102.2 | 46.8 Ų | 46.8 | 39% | 0.386 | 25% | 0.248 | S | C | . | . | trans | -75.3 | 81.4 | 176.4 | -71.9 | -172.6 | 176.5 | -177.6 | -4.6 | 110.9 | D1240 R1246 D1294 | R1228-D1240 IonicContact CZ-OD2 2.63Å; R1228-D1240 IonicContact NH2-OD1 3.65Å; R1228-D1240 PolarHBondContact NH2-OD1 3.1Å; R1228-D1240 VanDerWaalsContact NH2-OD1 3.15Å; R1228-D1240 IonicContact NH2-OD2 3.33Å; R1228-D1240 PolarHBondContact NH2-OD2 3.37Å; R1228-R1246 PolarHBondContact NH2-O 3.17Å; R1228-R1246 VanDerWaalsContact NH2-O 3.09Å; R1228-D1294 IonicContact NH1-OD2 3.39Å; R1228-D1294 PolarHBondContact NH1-OD2 3.06Å | ||
| 1229 | L | 74.2 | Confident | 79 | Confident | 39.6 Ų | 39.6 | 40.5 Ų | 40.5 | 21% | 0.207 | 21% | 0.214 | C | C | . | . | trans | -95.9 | 136.5 | 176.6 | -63.4 | 167.6 | 0 | 0 | 0 | 110.9 | L1194 P1227 A1231 L1232 Q1236 | L1194-L1229 HydrophobicContact CD1-CD1 3.89Å; L1194-L1229 HydrophobicContact CD2-CD1 3.71Å; L1194-L1229 HydrophobicContact CD2-CD2 4.05Å; L1194-L1229 HydrophobicContact CD2-CG 4.36Å; L1194-L1229 HydrophobicContact CG-CD1 4.41Å; P1227-L1229 VanDerWaalsContact C-N 3.32Å; P1227-L1229 HydrophobicContact CB-CD1 4.32Å; P1227-L1229 HydrophobicContact CB-CG 4.26Å; P1227-L1229 HydrophobicContact CG-CD1 3.82Å; P1227-L1229 HydrophobicContact CG-CG 4.07Å; P1227-L1229 PolarHBondContact O-N 3.02Å; L1229-A1231 PolarHBondContact O-N 3.07Å; L1229-A1231 VanDerWaalsContact O-N 3.13Å; L1229-L1232 HydrophobicContact CB-CD1 4.44Å; L1229-L1232 HydrophobicContact CD1-CD1 4.2Å; L1229-L1232 PolarHBondContact O-N 3.23Å; L1229-Q1236 PolarHBondContact O-NE2 3.25Å | ||
| 1230 | P | 70.9 | Confident | 79.1 | Confident | 99.4 Ų | 99.4 | 36 Ų | 36 | 65% | 0.645 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -58 | -30.7 | -179.4 | 3.3 | -6.9 | 0 | 0 | 0 | 113.4 | F848 M852 L1232 L1233 | F848-P1230 HydrophobicContact CE1-CG 4.41Å; M852-P1230 HydrophobicContact CE-CG 3.77Å; M852-P1230 HydrophobicContact SD-CG 3.79Å; P1230-L1232 VanDerWaalsContact C-N 3.26Å; P1230-L1232 PolarHBondContact O-N 3.23Å; P1230-L1233 VanDerWaalsContact O-CD1 3.26Å; P1230-L1233 WeakPolarHBondContact O-CD1 3.37Å; P1230-L1233 VanDerWaalsContact O-CG 3.28Å; P1230-L1233 WeakPolarHBondContact O-CG 3.3Å |
| 1231 | A | 73.5 | Confident | 79 | Confident | 48.6 Ų | 48.6 | 41.9 Ų | 41.9 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -69.6 | -17 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1202 L1229 | V1202-A1231 HydrophobicContact CG2-CB 3.79Å; V1202-A1231 WeakPolarHBondContact CG2-O 3.16Å; L1229-A1231 PolarHBondContact O-N 3.07Å; L1229-A1231 VanDerWaalsContact O-N 3.13Å |
| 1232 | L | 77.3 | Confident | 78.9 | Confident | 3.2 Ų | 3.2 | 42.1 Ų | 42.1 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -115.1 | 22.6 | -174.3 | -62.6 | 176.3 | 0 | 0 | 0 | 112.7 | L1194 V1202 F1205 L1229 P1230 T1234 C1235 Q1236 | L1194-L1232 HydrophobicContact CD1-CD1 4.4Å; V1202-L1232 HydrophobicContact CB-CD2 4.3Å; V1202-L1232 HydrophobicContact CG1-CD2 4.26Å; V1202-L1232 HydrophobicContact CG2-CD2 3.97Å; V1202-L1232 HydrophobicContact CG2-CG 4.49Å; F1205-L1232 HydrophobicContact CB-CD2 3.78Å; F1205-L1232 HydrophobicContact CD2-CD1 3.93Å; F1205-L1232 HydrophobicContact CD2-CD2 3.49Å; F1205-L1232 HydrophobicContact CD2-CG 4.33Å; F1205-L1232 HydrophobicContact CE2-CD1 3.87Å; F1205-L1232 HydrophobicContact CE2-CD2 4.25Å; F1205-L1232 HydrophobicContact CG-CD1 4.2Å; F1205-L1232 HydrophobicContact CG-CD2 3.81Å; F1205-L1232 HydrophobicContact CZ-CD1 4.36Å; L1229-L1232 HydrophobicContact CB-CD1 4.44Å; L1229-L1232 HydrophobicContact CD1-CD1 4.2Å; L1229-L1232 PolarHBondContact O-N 3.23Å; P1230-L1232 VanDerWaalsContact C-N 3.26Å; P1230-L1232 PolarHBondContact O-N 3.23Å; L1232-T1234 VanDerWaalsContact C-N 3.29Å; L1232-T1234 PolarHBondContact O-N 3.24Å; L1232-C1235 HydrophobicContact CB-CB 4.37Å; L1232-C1235 WeakPolarHBondContact O-CB 3.42Å; L1232-C1235 PolarHBondContact O-N 2.98Å; L1232-C1235 VanDerWaalsContact O-N 3.11Å; L1232-Q1236 WeakPolarHBondContact O-CG 3.25Å; L1232-Q1236 PolarHBondContact O-N 3.26Å |
| 1233 | L | 78.3 | Confident | 78.7 | Confident | 101.8 Ų | 101.8 | 41 Ų | 41 | 53% | 0.533 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -54.9 | -41.7 | -176.6 | -91.8 | 150.1 | 0 | 0 | 0 | 113.1 | P1230 C1235 Q1236 Q1237 | P1230-L1233 VanDerWaalsContact O-CD1 3.26Å; P1230-L1233 WeakPolarHBondContact O-CD1 3.37Å; P1230-L1233 VanDerWaalsContact O-CG 3.28Å; P1230-L1233 WeakPolarHBondContact O-CG 3.3Å; L1233-C1235 VanDerWaalsContact C-N 3.32Å; L1233-C1235 PolarHBondContact O-N 3.29Å; L1233-Q1236 WeakPolarHBondContact O-CB 3.36Å; L1233-Q1236 PolarHBondContact O-N 3.19Å; L1233-Q1236 VanDerWaalsContact O-N 3.16Å; L1233-Q1237 WeakPolarHBondContact O-CG 3.39Å; L1233-Q1237 PolarHBondContact O-N 3.18Å |
| 1234 | T | 80.1 | Confident | 78.1 | Confident | 60.4 Ų | 60.4 | 44.4 Ų | 44.4 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.8 | 13.9 | 0 | 0 | 0 | 0 | 112.2 | H1206 L1232 Q1236 Q1237 I1238 | H1206-T1234 PolarHBondContact NE2-OG1 2.93Å; H1206-T1234 VanDerWaalsContact NE2-OG1 3.1Å; L1232-T1234 VanDerWaalsContact C-N 3.29Å; L1232-T1234 PolarHBondContact O-N 3.24Å; T1234-Q1236 VanDerWaalsContact C-N 3.31Å; T1234-Q1236 PolarHBondContact O-N 2.96Å; T1234-Q1237 PolarHBondContact O-N 3.28Å; T1234-I1238 WeakPolarHBondContact O-CG1 3.35Å; T1234-I1238 PolarHBondContact O-N 3.16Å |
| 1235 | C | 80 | Confident | 77.6 | Confident | 2.2 Ų | 2.2 | 45.3 Ų | 45.3 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.3 | -34.4 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | F1209 L1232 L1233 I1238 L1239 | F1209-C1235 HydrophobicContact CB-CB 4.44Å; F1209-C1235 HydrophobicContact CD1-CB 4.43Å; F1209-C1235 HydrophobicContact CD2-CB 3.81Å; F1209-C1235 HydrophobicContact CE1-CB 4.49Å; F1209-C1235 HydrophobicContact CE2-CB 4.04Å; F1209-C1235 HydrophobicContact CG-CB 4.03Å; F1209-C1235 HydrophobicContact CZ-CB 4.3Å; L1232-C1235 HydrophobicContact CB-CB 4.37Å; L1232-C1235 WeakPolarHBondContact O-CB 3.42Å; L1232-C1235 PolarHBondContact O-N 2.98Å; L1232-C1235 VanDerWaalsContact O-N 3.11Å; L1233-C1235 VanDerWaalsContact C-N 3.32Å; L1233-C1235 PolarHBondContact O-N 3.29Å; C1235-I1238 PolarHBondContact O-N 3Å; C1235-L1239 WeakPolarHBondContact O-CB 3.38Å; C1235-L1239 WeakPolarHBondContact O-CG 3.34Å; C1235-L1239 PolarHBondContact O-N 3.05Å |
| 1236 | Q | 81.1 | Confident | 77.2 | Confident | 14.6 Ų | 14.6 | 45.8 Ų | 45.8 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.9 | -41 | 175.7 | -73.1 | 171.4 | 19 | 0 | 0 | 112.2 | L1226 P1227 L1229 L1232 L1233 T1234 I1238 L1239 D1240 R1246 | L1226-Q1236 PolarHBondContact O-NE2 3.01Å; P1227-Q1236 VanDerWaalsContact C-NE2 3.34Å; P1227-Q1236 PolarHBondContact O-NE2 3.24Å; L1229-Q1236 PolarHBondContact O-NE2 3.25Å; L1232-Q1236 WeakPolarHBondContact O-CG 3.25Å; L1232-Q1236 PolarHBondContact O-N 3.26Å; L1233-Q1236 WeakPolarHBondContact O-CB 3.36Å; L1233-Q1236 PolarHBondContact O-N 3.19Å; L1233-Q1236 VanDerWaalsContact O-N 3.16Å; T1234-Q1236 VanDerWaalsContact C-N 3.31Å; T1234-Q1236 PolarHBondContact O-N 2.96Å; Q1236-I1238 VanDerWaalsContact C-N 3.33Å; Q1236-I1238 PolarHBondContact O-N 3.28Å; Q1236-L1239 CarbonylContact O-C 3.54Å; Q1236-L1239 PolarHBondContact O-N 3.16Å; Q1236-D1240 VanDerWaalsContact O-CB 3.26Å; Q1236-D1240 WeakPolarHBondContact O-CB 3.4Å; Q1236-D1240 VanDerWaalsContact O-CG 3.3Å; Q1236-D1240 PolarHBondContact O-N 3.03Å; Q1236-R1246 VanDerWaalsContact OE1-CZ 3.3Å |
| 1237 | Q | 81.6 | Confident | 76.3 | Confident | 121.8 Ų | 121.8 | 48.4 Ų | 48.4 | 57% | 0.569 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.1 | -46.5 | 174.3 | -73.5 | 172.1 | -15.1 | 0 | 0 | 111.2 | L1233 T1234 L1239 D1240 D1241 | L1233-Q1237 WeakPolarHBondContact O-CG 3.39Å; L1233-Q1237 PolarHBondContact O-N 3.18Å; T1234-Q1237 PolarHBondContact O-N 3.28Å; Q1237-L1239 VanDerWaalsContact C-N 3.32Å; Q1237-L1239 PolarHBondContact O-N 3.18Å; Q1237-D1240 CarbonylContact O-C 3.58Å; Q1237-D1240 PolarHBondContact O-N 3.29Å; Q1237-D1240 VanDerWaalsContact O-N 3.14Å; Q1237-D1241 VanDerWaalsContact O-CG 3.26Å; Q1237-D1241 PolarHBondContact O-N 3.13Å |
| 1238 | I | 80.6 | Confident | 75.6 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 177.2 | -63.1 | 164.6 | 0 | 0 | 0 | 111.3 | F1209 L1210 T1234 C1235 Q1236 D1240 D1241 L1242 | F1209-I1238 HydrophobicContact CB-CD1 4.11Å; F1209-I1238 HydrophobicContact CD1-CB 4.24Å; F1209-I1238 HydrophobicContact CD1-CD1 4.37Å; F1209-I1238 HydrophobicContact CD1-CG2 3.96Å; F1209-I1238 HydrophobicContact CE1-CG2 4.45Å; L1210-I1238 HydrophobicContact CD2-CD1 3.6Å; L1210-I1238 VanDerWaalsContact CD2-CD1 3.47Å; T1234-I1238 WeakPolarHBondContact O-CG1 3.35Å; T1234-I1238 PolarHBondContact O-N 3.16Å; C1235-I1238 PolarHBondContact O-N 3Å; Q1236-I1238 VanDerWaalsContact C-N 3.33Å; Q1236-I1238 PolarHBondContact O-N 3.28Å; I1238-D1240 VanDerWaalsContact C-N 3.34Å; I1238-D1241 PolarHBondContact O-N 3.13Å; I1238-L1242 HydrophobicContact CG2-CD1 4.11Å; I1238-L1242 HydrophobicContact CG2-CG 4.5Å; I1238-L1242 WeakPolarHBondContact O-CB 3.35Å; I1238-L1242 VanDerWaalsContact O-CG 3.3Å; I1238-L1242 WeakPolarHBondContact O-CG 3.33Å; I1238-L1242 PolarHBondContact O-N 3.24Å |
| 1239 | L | 82 | Confident | 74.8 | Confident | 0.8 Ų | 0.8 | 48.3 Ų | 48.3 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 175.2 | -76.4 | 173.9 | 0 | 0 | 0 | 112.8 | F1209 L1220 L1223 L1226 C1235 Q1236 Q1237 D1241 L1242 C1243 R1246 | F1209-L1239 HydrophobicContact CE1-CD1 4.2Å; F1209-L1239 HydrophobicContact CE1-CD2 3.64Å; F1209-L1239 HydrophobicContact CE1-CG 3.57Å; F1209-L1239 VanDerWaalsContact CE1-CG 3.48Å; F1209-L1239 HydrophobicContact CZ-CD1 3.89Å; F1209-L1239 HydrophobicContact CZ-CD2 3.86Å; F1209-L1239 HydrophobicContact CZ-CG 3.77Å; L1220-L1239 WeakPolarHBondContact O-CD2 3.25Å; L1223-L1239 HydrophobicContact CB-CD2 4.2Å; L1223-L1239 WeakPolarHBondContact O-CD1 3.27Å; L1226-L1239 HydrophobicContact CB-CD1 4.2Å; L1226-L1239 HydrophobicContact CD1-CD1 4.05Å; L1226-L1239 HydrophobicContact CG-CD1 4.39Å; C1235-L1239 WeakPolarHBondContact O-CB 3.38Å; C1235-L1239 WeakPolarHBondContact O-CG 3.34Å; C1235-L1239 PolarHBondContact O-N 3.05Å; Q1236-L1239 CarbonylContact O-C 3.54Å; Q1236-L1239 PolarHBondContact O-N 3.16Å; Q1237-L1239 VanDerWaalsContact C-N 3.32Å; Q1237-L1239 PolarHBondContact O-N 3.18Å; L1239-D1241 VanDerWaalsContact C-N 3.33Å; L1239-L1242 PolarHBondContact O-N 3.41Å; L1239-C1243 WeakPolarHBondContact O-CA 3.35Å; L1239-C1243 VanDerWaalsContact O-CB 3.25Å; L1239-C1243 WeakPolarHBondContact O-CB 3.4Å; L1239-C1243 PolarHBondContact O-N 3.05Å; L1239-R1246 VanDerWaalsContact CB-NH1 3.31Å |
| 1240 | D | 80.5 | Confident | 73.8 | Confident | 37.2 Ų | 37.2 | 47.2 Ų | 47.2 | 20% | 0.199 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.4 | -31.8 | 176.9 | -69.2 | -14.1 | 0 | 0 | 0 | 110.5 | R1228 Q1236 Q1237 I1238 C1243 P1244 R1246 A1247 | R1228-D1240 IonicContact CZ-OD2 2.63Å; R1228-D1240 IonicContact NH2-OD1 3.65Å; R1228-D1240 PolarHBondContact NH2-OD1 3.1Å; R1228-D1240 VanDerWaalsContact NH2-OD1 3.15Å; R1228-D1240 IonicContact NH2-OD2 3.33Å; R1228-D1240 PolarHBondContact NH2-OD2 3.37Å; Q1236-D1240 VanDerWaalsContact O-CB 3.26Å; Q1236-D1240 WeakPolarHBondContact O-CB 3.4Å; Q1236-D1240 VanDerWaalsContact O-CG 3.3Å; Q1236-D1240 PolarHBondContact O-N 3.03Å; Q1237-D1240 CarbonylContact O-C 3.58Å; Q1237-D1240 PolarHBondContact O-N 3.29Å; Q1237-D1240 VanDerWaalsContact O-N 3.14Å; I1238-D1240 VanDerWaalsContact C-N 3.34Å; D1240-C1243 CarbonylContact O-C 3.42Å; D1240-C1243 VanDerWaalsContact O-C 3.29Å; D1240-P1244 VanDerWaalsContact O-CA 3.25Å; D1240-P1244 WeakPolarHBondContact O-CA 3.38Å; D1240-R1246 WeakPolarHBondContact OD1-CB 3.26Å; D1240-R1246 IonicContact OD1-CZ 3.13Å; D1240-R1246 IonicContact OD1-NH1 3.31Å; D1240-R1246 PolarHBondContact OD1-NH1 3.34Å; D1240-A1247 HydrophobicContact CB-CB 4.28Å |
| 1241 | D | 81.1 | Confident | 72.9 | Confident | 124 Ų | 124 | 45.8 Ų | 45.8 | 66% | 0.663 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68 | -42.7 | 171.3 | -66.9 | -23.2 | 0 | 0 | 0 | 112.1 | Q1237 I1238 L1239 | Q1237-D1241 VanDerWaalsContact O-CG 3.26Å; Q1237-D1241 PolarHBondContact O-N 3.13Å; I1238-D1241 PolarHBondContact O-N 3.13Å; L1239-D1241 VanDerWaalsContact C-N 3.33Å |
| 1242 | L | 78.8 | Confident | 71.8 | Confident | 43.4 Ų | 43.4 | 49.1 Ų | 49.1 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.1 | -33.1 | 179.5 | -69.7 | 174.2 | 0 | 0 | 0 | 112.9 | L1220 I1238 L1239 P1244 | L1220-L1242 HydrophobicContact CB-CD1 3.57Å; L1220-L1242 HydrophobicContact CD1-CD1 4.26Å; I1238-L1242 HydrophobicContact CG2-CD1 4.11Å; I1238-L1242 HydrophobicContact CG2-CG 4.5Å; I1238-L1242 WeakPolarHBondContact O-CB 3.35Å; I1238-L1242 VanDerWaalsContact O-CG 3.3Å; I1238-L1242 WeakPolarHBondContact O-CG 3.33Å; I1238-L1242 PolarHBondContact O-N 3.24Å; L1239-L1242 PolarHBondContact O-N 3.41Å; L1242-P1244 VanDerWaalsContact C-CD 3.5Å; L1242-P1244 WeakPolarHBondContact O-CD 3.34Å |
| 1243 | C | 78.7 | Confident | 70.4 | Confident | 1.4 Ų | 1.4 | 50.8 Ų | 50.8 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | trans | -125.2 | 74.8 | -179.2 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | S1221 L1239 D1240 W1245 R1246 | S1221-C1243 VanDerWaalsContact CA-SG 3.57Å; S1221-C1243 VanDerWaalsContact CB-SG 3.53Å; S1221-C1243 WeakPolarHBondContact CB-SG 3.34Å; L1239-C1243 WeakPolarHBondContact O-CA 3.35Å; L1239-C1243 VanDerWaalsContact O-CB 3.25Å; L1239-C1243 WeakPolarHBondContact O-CB 3.4Å; L1239-C1243 PolarHBondContact O-N 3.05Å; D1240-C1243 CarbonylContact O-C 3.42Å; D1240-C1243 VanDerWaalsContact O-C 3.29Å; C1243-W1245 HydrophobicContact CB-CD2 4.19Å; C1243-W1245 HydrophobicContact CB-CE3 4.37Å; C1243-W1245 HydrophobicContact CB-CH2 4.07Å; C1243-W1245 HydrophobicContact CB-CZ2 3.75Å; C1243-W1245 HydrophobicContact CB-CZ3 4.27Å; C1243-W1245 PolarHBondContact O-N 3.31Å; C1243-W1245 VanDerWaalsContact SG-CZ2 3.55Å; C1243-R1246 HydrophobicContact CB-CG 3.7Å; C1243-R1246 VanDerWaalsContact O-CB 3.31Å; C1243-R1246 WeakPolarHBondContact O-CB 3.33Å; C1243-R1246 WeakPolarHBondContact O-CG 3.27Å; C1243-R1246 PolarHBondContact O-N 3.05Å | ||
| 1244 | P | 72.3 | Confident | 69 | Low | 72.2 Ų | 72.2 | 51.5 Ų | 51.5 | 47% | 0.469 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -55.6 | -30.1 | -175.8 | 2.5 | -7.1 | 0 | 0 | 0 | 113.1 | D1240 L1242 R1246 A1247 T1248 | D1240-P1244 VanDerWaalsContact O-CA 3.25Å; D1240-P1244 WeakPolarHBondContact O-CA 3.38Å; L1242-P1244 VanDerWaalsContact C-CD 3.5Å; L1242-P1244 WeakPolarHBondContact O-CD 3.34Å; P1244-R1246 PolarHBondContact O-N 3.22Å; P1244-R1246 VanDerWaalsContact O-N 3.12Å; P1244-A1247 PolarHBondContact O-N 3.11Å; P1244-A1247 VanDerWaalsContact O-N 3.13Å; P1244-T1248 PolarHBondContact O-N 3.33Å; P1244-T1248 PolarHBondContact O-OG1 3.22Å |
| 1245 | W | 71.1 | Confident | 67.6 | Low | 22.4 Ų | 22.4 | 55.5 Ų | 55.5 | 9% | 0.085 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -62.2 | -16.9 | 175.9 | 55.5 | -112.4 | 0 | 0 | 0 | 114.4 | F1224 C1243 A1247 T1248 F1250 Q1263 P1264 A1267 | F1224-W1245 HydrophobicContact CB-CH2 3.59Å; F1224-W1245 HydrophobicContact CB-CZ2 4.1Å; F1224-W1245 HydrophobicContact CB-CZ3 4.43Å; F1224-W1245 HydrophobicContact CD1-CH2 4.18Å; F1224-W1245 AromaticContact CD2-CH2 3.61Å; F1224-W1245 HydrophobicContact CD2-CH2 3.61Å; F1224-W1245 HydrophobicContact CD2-CZ3 4.14Å; F1224-W1245 HydrophobicContact CE2-CH2 4.35Å; F1224-W1245 AromaticContact CG-CH2 3.52Å; F1224-W1245 HydrophobicContact CG-CH2 3.52Å; F1224-W1245 VanDerWaalsContact CG-CH2 3.5Å; F1224-W1245 HydrophobicContact CG-CZ2 4.27Å; F1224-W1245 HydrophobicContact CG-CZ3 4.43Å; C1243-W1245 HydrophobicContact CB-CD2 4.19Å; C1243-W1245 HydrophobicContact CB-CE3 4.37Å; C1243-W1245 HydrophobicContact CB-CH2 4.07Å; C1243-W1245 HydrophobicContact CB-CZ2 3.75Å; C1243-W1245 HydrophobicContact CB-CZ3 4.27Å; C1243-W1245 PolarHBondContact O-N 3.31Å; C1243-W1245 VanDerWaalsContact SG-CZ2 3.55Å; W1245-A1247 VanDerWaalsContact C-N 3.32Å; W1245-A1247 PolarHBondContact O-N 3.36Å; W1245-T1248 VanDerWaalsContact CA-OG1 3.27Å; W1245-T1248 WeakPolarHBondContact CA-OG1 3.28Å; W1245-T1248 PolarHBondContact O-N 3.37Å; W1245-T1248 PolarHBondContact O-OG1 2.95Å; W1245-F1250 HydrophobicContact CB-CE1 4.35Å; W1245-F1250 HydrophobicContact CB-CE2 3.96Å; W1245-F1250 HydrophobicContact CB-CZ 3.96Å; W1245-F1250 VanDerWaalsContact CB-CZ 3.45Å; W1245-Q1263 HydrophobicContact CE3-CB 4.2Å; W1245-Q1263 HydrophobicContact CH2-CB 3.75Å; W1245-Q1263 HydrophobicContact CH2-CG 4.36Å; W1245-Q1263 HydrophobicContact CZ2-CB 4.18Å; W1245-Q1263 HydrophobicContact CZ3-CB 3.65Å; W1245-Q1263 HydrophobicContact CZ3-CG 4.27Å; W1245-Q1263 VanDerWaalsContact CZ3-OE1 3.29Å; W1245-P1264 HydrophobicContact CB-CB 4.39Å; W1245-P1264 HydrophobicContact CB-CG 4.45Å; W1245-P1264 HydrophobicContact CD2-CB 4Å; W1245-P1264 HydrophobicContact CD2-CG 4.4Å; W1245-P1264 HydrophobicContact CE3-CB 3.93Å; W1245-P1264 HydrophobicContact CG-CB 4.09Å; W1245-P1264 HydrophobicContact CG-CG 4.36Å; W1245-P1264 HydrophobicContact CH2-CB 4.48Å; W1245-P1264 HydrophobicContact CZ2-CB 4.32Å; W1245-P1264 HydrophobicContact CZ3-CB 4.28Å; W1245-A1267 HydrophobicContact CH2-CB 4.26Å; W1245-A1267 HydrophobicContact CZ2-CB 4.1Å |
| 1246 | R | 70.6 | Confident | 66.4 | Low | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.045 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -69.5 | -30.9 | 174.1 | -67.3 | -178.7 | 84.5 | -129.3 | 10.6 | 112.3 | F1224 L1226 R1228 Q1236 L1239 D1240 C1243 P1244 R1303 | F1224-R1246 VanDerWaalsContact C-NH2 3.28Å; F1224-R1246 HydrophobicContact CB-CG 4.44Å; F1224-R1246 VanDerWaalsContact O-CZ 3.32Å; F1224-R1246 PolarHBondContact O-NE 3.07Å; F1224-R1246 PolarHBondContact O-NH2 3.23Å; L1226-R1246 PolarHBondContact O-NH2 3.2Å; L1226-R1246 VanDerWaalsContact O-NH2 3.16Å; R1228-R1246 PolarHBondContact NH2-O 3.17Å; R1228-R1246 VanDerWaalsContact NH2-O 3.09Å; Q1236-R1246 VanDerWaalsContact OE1-CZ 3.3Å; L1239-R1246 VanDerWaalsContact CB-NH1 3.31Å; D1240-R1246 WeakPolarHBondContact OD1-CB 3.26Å; D1240-R1246 IonicContact OD1-CZ 3.13Å; D1240-R1246 IonicContact OD1-NH1 3.31Å; D1240-R1246 PolarHBondContact OD1-NH1 3.34Å; C1243-R1246 HydrophobicContact CB-CG 3.7Å; C1243-R1246 VanDerWaalsContact O-CB 3.31Å; C1243-R1246 WeakPolarHBondContact O-CB 3.33Å; C1243-R1246 WeakPolarHBondContact O-CG 3.27Å; C1243-R1246 PolarHBondContact O-N 3.05Å; P1244-R1246 PolarHBondContact O-N 3.22Å; P1244-R1246 VanDerWaalsContact O-N 3.12Å; R1246-R1303 PolarHBondContact O-NH1 2.79Å; R1246-R1303 PolarHBondContact O-NH2 3.04Å |
| 1247 | A | 64.5 | Low | 65.2 | Low | 59.8 Ų | 59.8 | 59.5 Ų | 59.5 | 49% | 0.494 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -27.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1240 P1244 W1245 | D1240-A1247 HydrophobicContact CB-CB 4.28Å; P1244-A1247 PolarHBondContact O-N 3.11Å; P1244-A1247 VanDerWaalsContact O-N 3.13Å; W1245-A1247 VanDerWaalsContact C-N 3.32Å; W1245-A1247 PolarHBondContact O-N 3.36Å |
| 1248 | T | 58.6 | Low | 64 | Low | 68.4 Ų | 68.4 | 57.7 Ų | 57.7 | 42% | 0.42 | 33% | 0.333 | S | S | . | . | trans | -84.4 | 125 | -176 | 37.5 | 0 | 0 | 0 | 0 | 112.3 | P1244 W1245 F1250 | P1244-T1248 PolarHBondContact O-N 3.33Å; P1244-T1248 PolarHBondContact O-OG1 3.22Å; W1245-T1248 VanDerWaalsContact CA-OG1 3.27Å; W1245-T1248 WeakPolarHBondContact CA-OG1 3.28Å; W1245-T1248 PolarHBondContact O-N 3.37Å; W1245-T1248 PolarHBondContact O-OG1 2.95Å; T1248-F1250 PolarHBondContact O-N 3.23Å | ||
| 1249 | C | 54.2 | Low | 63.1 | Low | 63.8 Ų | 63.8 | 59.9 Ų | 59.9 | 43% | 0.431 | 35% | 0.353 | S | S | . | . | trans | -77.7 | 113.9 | 163.1 | -84.5 | 0 | 0 | 0 | 0 | 108.8 | I1251 N1252 | C1249-I1251 PolarHBondContact O-N 3.12Å; C1249-N1252 PolarHBondContact O-N 3.35Å | ||
| 1250 | F | 54.8 | Low | 62.4 | Low | 15.4 Ų | 15.4 | 63.7 Ų | 63.7 | 7% | 0.068 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -8 | -178.5 | -68.6 | -66.9 | 0 | 0 | 0 | 115.4 | W1245 T1248 N1252 S1253 F1261 P1264 W1268 R1303 L1310 | W1245-F1250 HydrophobicContact CB-CE1 4.35Å; W1245-F1250 HydrophobicContact CB-CE2 3.96Å; W1245-F1250 HydrophobicContact CB-CZ 3.96Å; W1245-F1250 VanDerWaalsContact CB-CZ 3.45Å; T1248-F1250 PolarHBondContact O-N 3.23Å; F1250-N1252 VanDerWaalsContact C-N 3.28Å; F1250-N1252 PolarHBondContact O-N 3.07Å; F1250-S1253 PolarHBondContact O-OG 3.34Å; F1250-F1261 HydrophobicContact CB-CE1 3.56Å; F1250-F1261 HydrophobicContact CB-CZ 3.72Å; F1250-F1261 AromaticContact CD1-CD1 3.81Å; F1250-F1261 HydrophobicContact CD1-CD1 4.15Å; F1250-F1261 AromaticContact CD1-CE1 3.36Å; F1250-F1261 HydrophobicContact CD1-CE1 3.36Å; F1250-F1261 VanDerWaalsContact CD1-CE1 3.42Å; F1250-F1261 HydrophobicContact CD1-CE2 4.35Å; F1250-F1261 AromaticContact CD1-CZ 3.33Å; F1250-F1261 HydrophobicContact CD1-CZ 3.76Å; F1250-F1261 AromaticContact CD2-CE1 3.95Å; F1250-F1261 HydrophobicContact CD2-CE1 3.98Å; F1250-F1261 AromaticContact CE1-CD1 3.91Å; F1250-F1261 HydrophobicContact CE1-CD1 4Å; F1250-F1261 AromaticContact CE1-CE1 3.66Å; F1250-F1261 HydrophobicContact CE1-CE1 3.66Å; F1250-F1261 HydrophobicContact CE1-CZ 4.22Å; F1250-F1261 HydrophobicContact CE2-CE1 4.44Å; F1250-F1261 HydrophobicContact CG-CD1 4.22Å; F1250-F1261 AromaticContact CG-CE1 3.24Å; F1250-F1261 HydrophobicContact CG-CE1 3.77Å; F1250-F1261 AromaticContact CG-CZ 3.76Å; F1250-F1261 HydrophobicContact CG-CZ 3.76Å; F1250-F1261 HydrophobicContact CZ-CD1 4.42Å; F1250-F1261 HydrophobicContact CZ-CE1 4.31Å; F1250-P1264 HydrophobicContact CE1-CG 4.3Å; F1250-P1264 HydrophobicContact CZ-CB 4.1Å; F1250-P1264 HydrophobicContact CZ-CG 4.06Å; F1250-W1268 AromaticContact CE2-CH2 3.94Å; F1250-W1268 HydrophobicContact CE2-CH2 3.99Å; F1250-W1268 HydrophobicContact CE2-CZ2 4.39Å; F1250-R1303 HydrophobicContact CD2-CG 3.95Å; F1250-R1303 HydrophobicContact CE2-CG 4.09Å; F1250-L1310 HydrophobicContact CB-CD1 3.93Å; F1250-L1310 HydrophobicContact CB-CD2 4.15Å; F1250-L1310 HydrophobicContact CD1-CD1 3.96Å; F1250-L1310 HydrophobicContact CG-CD1 4.2Å; F1250-L1310 WeakPolarHBondContact O-CD1 3.3Å |
| 1251 | I | 51.7 | Low | 61.8 | Low | 69.8 Ų | 69.8 | 62.8 Ų | 62.8 | 36% | 0.358 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -29.5 | -172.1 | -60 | 169 | 0 | 0 | 0 | 112.4 | C1249 L1300 W1305 T2071 L2075 | C1249-I1251 PolarHBondContact O-N 3.12Å; I1251-L1300 HydrophobicContact CD1-CD1 3.36Å; I1251-L1300 HydrophobicContact CD1-CD2 3.89Å; I1251-L1300 HydrophobicContact CD1-CG 4.12Å; I1251-W1305 HydrophobicContact CD1-CB 4.37Å; I1251-T2071 HydrophobicContact CB-CG2 4.43Å; I1251-T2071 HydrophobicContact CG2-CG2 3.06Å; I1251-L2075 HydrophobicContact CD1-CD1 4.13Å; I1251-L2075 HydrophobicContact CG1-CD1 4.48Å; I1251-L2075 HydrophobicContact CG1-CD2 4.43Å; I1251-L2075 HydrophobicContact CG2-CD1 4.04Å; I1251-L2075 HydrophobicContact CG2-CD2 4.23Å; I1251-L2075 HydrophobicContact CG2-CG 4.32Å |
| 1252 | N | 49.1 | Very low | 61.5 | Low | 118 Ų | 118 | 59.6 Ų | 59.6 | 63% | 0.631 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -105.8 | -4.8 | -169.4 | -72.2 | -9.7 | 0 | 0 | 0 | 115.6 | C1249 F1250 V1254 | C1249-N1252 PolarHBondContact O-N 3.35Å; F1250-N1252 VanDerWaalsContact C-N 3.28Å; F1250-N1252 PolarHBondContact O-N 3.07Å; N1252-V1254 PolarHBondContact O-N 3.03Å; N1252-V1254 VanDerWaalsContact O-N 3.13Å |
| 1253 | S | 48.5 | Very low | 61.4 | Low | 40.4 Ų | 40.4 | 62.8 Ų | 62.8 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | trans | -87.2 | 97.3 | -179 | 67.3 | 0 | 0 | 0 | 0 | 111.1 | F1250 N1255 S1256 R1313 | F1250-S1253 PolarHBondContact O-OG 3.34Å; S1253-N1255 PolarHBondContact O-N 3.16Å; S1253-N1255 VanDerWaalsContact O-N 3.12Å; S1253-S1256 PolarHBondContact O-N 3.4Å; S1253-S1256 PolarHBondContact O-OG 3.09Å; S1253-S1256 VanDerWaalsContact O-OG 3.1Å; S1253-S1256 WeakPolarHBondContact OG-CB 3.4Å; S1253-S1256 PolarHBondContact OG-OG 3.12Å; S1253-R1313 PolarHBondContact O-NH1 2.84Å; S1253-R1313 PolarHBondContact O-NH2 3.25Å; S1253-R1313 VanDerWaalsContact O-NH2 3.16Å | ||
| 1254 | V | 50.2 | Low | 61.4 | Low | 115.6 Ų | 115.6 | 62.8 Ų | 62.8 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.8 | 172.6 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | N1252 R1313 | N1252-V1254 PolarHBondContact O-N 3.03Å; N1252-V1254 VanDerWaalsContact O-N 3.13Å; V1254-R1313 PolarHBondContact O-NH1 2.93Å; V1254-R1313 VanDerWaalsContact O-NH1 3.15Å; V1254-R1313 PolarHBondContact O-NH2 3.27Å |
| 1255 | N | 50.1 | Low | 61.8 | Low | 143.6 Ų | 143.6 | 59.7 Ų | 59.7 | 77% | 0.768 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.4 | 21.8 | -171.5 | -60.5 | -10.3 | 0 | 0 | 0 | 115.1 | S1253 T1257 | S1253-N1255 PolarHBondContact O-N 3.16Å; S1253-N1255 VanDerWaalsContact O-N 3.12Å; N1255-T1257 PolarHBondContact O-N 3.21Å |
| 1256 | S | 54 | Low | 62.3 | Low | 21.6 Ų | 21.6 | 61.1 Ų | 61.1 | 15% | 0.151 | 35% | 0.35 | C | S | . | . | trans | -66.1 | 130.9 | 178.6 | 41.8 | 0 | 0 | 0 | 0 | 111.7 | S1253 E1260 F1261 R1313 | S1253-S1256 PolarHBondContact O-N 3.4Å; S1253-S1256 PolarHBondContact O-OG 3.09Å; S1253-S1256 VanDerWaalsContact O-OG 3.1Å; S1253-S1256 WeakPolarHBondContact OG-CB 3.4Å; S1253-S1256 PolarHBondContact OG-OG 3.12Å; S1256-E1260 WeakPolarHBondContact CA-OE2 3.48Å; S1256-E1260 VanDerWaalsContact CB-OE2 3.28Å; S1256-E1260 WeakPolarHBondContact CB-OE2 3.3Å; S1256-F1261 WeakPolarHBondContact OG-CE2 3.17Å; S1256-F1261 WeakPolarHBondContact OG-CZ 3.43Å; S1256-R1313 PolarHBondContact O-NH1 3.47Å; S1256-R1313 VanDerWaalsContact O-NH1 3.09Å; S1256-R1313 PolarHBondContact OG-NH1 3.35Å | ||
| 1257 | T | 56.5 | Low | 62.9 | Low | 79.4 Ų | 79.4 | 61.2 Ų | 61.2 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | trans | -76.4 | 147.7 | 177 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | N1255 A1259 E1260 F1261 | N1255-T1257 PolarHBondContact O-N 3.21Å; T1257-A1259 PolarHBondContact O-N 2.96Å; T1257-A1259 VanDerWaalsContact O-N 3.08Å; T1257-E1260 PolarHBondContact N-OE1 3.15Å; T1257-E1260 VanDerWaalsContact N-OE1 3.07Å; T1257-E1260 WeakPolarHBondContact O-CB 3.37Å; T1257-E1260 PolarHBondContact O-N 3.06Å; T1257-E1260 VanDerWaalsContact OG1-CD 3.31Å; T1257-E1260 WeakPolarHBondContact OG1-CG 3.44Å; T1257-E1260 PolarHBondContact OG1-OE1 3.27Å; T1257-F1261 WeakPolarHBondContact O-CD2 3.27Å | ||
| 1258 | E | 56.9 | Low | 63.9 | Low | 85.2 Ų | 85.2 | 58.8 Ų | 58.8 | 40% | 0.398 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.5 | -26.7 | 178.2 | -70.2 | -174.1 | 163.3 | 0 | 0 | 113.2 | E1260 F1261 S1314 C1338 N1345 | E1258-E1260 VanDerWaalsContact C-N 3.33Å; E1258-E1260 PolarHBondContact O-N 3.07Å; E1258-F1261 PolarHBondContact O-N 3.18Å; E1258-S1314 PolarHBondContact OE1-OG 3.27Å; E1258-C1338 PolarHBondContact OE2-SG 3.44Å; E1258-N1345 PolarHBondContact O-ND2 3.22Å; E1258-N1345 VanDerWaalsContact O-ND2 3.16Å |
| 1259 | A | 61.5 | Low | 65.1 | Low | 62.6 Ų | 62.6 | 57.1 Ų | 57.1 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.5 | -30.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1257 F1261 H1262 | T1257-A1259 PolarHBondContact O-N 2.96Å; T1257-A1259 VanDerWaalsContact O-N 3.08Å; A1259-F1261 PolarHBondContact O-N 3.05Å; A1259-H1262 PolarHBondContact O-N 2.93Å |
| 1260 | E | 66 | Low | 66.6 | Low | 80.6 Ų | 80.6 | 56.7 Ų | 56.7 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.8 | -24.4 | 179 | -73.7 | 161.4 | -134.8 | 0 | 0 | 112.6 | S1256 T1257 E1258 P1264 | S1256-E1260 WeakPolarHBondContact CA-OE2 3.48Å; S1256-E1260 VanDerWaalsContact CB-OE2 3.28Å; S1256-E1260 WeakPolarHBondContact CB-OE2 3.3Å; T1257-E1260 PolarHBondContact N-OE1 3.15Å; T1257-E1260 VanDerWaalsContact N-OE1 3.07Å; T1257-E1260 WeakPolarHBondContact O-CB 3.37Å; T1257-E1260 PolarHBondContact O-N 3.06Å; T1257-E1260 VanDerWaalsContact OG1-CD 3.31Å; T1257-E1260 WeakPolarHBondContact OG1-CG 3.44Å; T1257-E1260 PolarHBondContact OG1-OE1 3.27Å; E1258-E1260 VanDerWaalsContact C-N 3.33Å; E1258-E1260 PolarHBondContact O-N 3.07Å; E1260-P1264 WeakPolarHBondContact O-CD 3.27Å; E1260-P1264 VanDerWaalsContact O-CG 3.29Å; E1260-P1264 WeakPolarHBondContact O-CG 3.34Å |
| 1261 | F | 69.5 | Low | 68.1 | Low | 19.4 Ų | 19.4 | 56.2 Ų | 56.2 | 9% | 0.085 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -90.8 | -23.8 | -179.1 | -66.3 | -76.8 | 0 | 0 | 0 | 113.8 | F1250 S1256 T1257 E1258 A1259 Q1263 P1264 L1265 L1307 L1310 | F1250-F1261 HydrophobicContact CB-CE1 3.56Å; F1250-F1261 HydrophobicContact CB-CZ 3.72Å; F1250-F1261 AromaticContact CD1-CD1 3.81Å; F1250-F1261 HydrophobicContact CD1-CD1 4.15Å; F1250-F1261 AromaticContact CD1-CE1 3.36Å; F1250-F1261 HydrophobicContact CD1-CE1 3.36Å; F1250-F1261 VanDerWaalsContact CD1-CE1 3.42Å; F1250-F1261 HydrophobicContact CD1-CE2 4.35Å; F1250-F1261 AromaticContact CD1-CZ 3.33Å; F1250-F1261 HydrophobicContact CD1-CZ 3.76Å; F1250-F1261 AromaticContact CD2-CE1 3.95Å; F1250-F1261 HydrophobicContact CD2-CE1 3.98Å; F1250-F1261 AromaticContact CE1-CD1 3.91Å; F1250-F1261 HydrophobicContact CE1-CD1 4Å; F1250-F1261 AromaticContact CE1-CE1 3.66Å; F1250-F1261 HydrophobicContact CE1-CE1 3.66Å; F1250-F1261 HydrophobicContact CE1-CZ 4.22Å; F1250-F1261 HydrophobicContact CE2-CE1 4.44Å; F1250-F1261 HydrophobicContact CG-CD1 4.22Å; F1250-F1261 AromaticContact CG-CE1 3.24Å; F1250-F1261 HydrophobicContact CG-CE1 3.77Å; F1250-F1261 AromaticContact CG-CZ 3.76Å; F1250-F1261 HydrophobicContact CG-CZ 3.76Å; F1250-F1261 HydrophobicContact CZ-CD1 4.42Å; F1250-F1261 HydrophobicContact CZ-CE1 4.31Å; S1256-F1261 WeakPolarHBondContact OG-CE2 3.17Å; S1256-F1261 WeakPolarHBondContact OG-CZ 3.43Å; T1257-F1261 WeakPolarHBondContact O-CD2 3.27Å; E1258-F1261 PolarHBondContact O-N 3.18Å; A1259-F1261 PolarHBondContact O-N 3.05Å; F1261-Q1263 VanDerWaalsContact C-N 3.33Å; F1261-Q1263 PolarHBondContact O-N 3.27Å; F1261-P1264 VanDerWaalsContact C-CD 3.47Å; F1261-P1264 VanDerWaalsContact O-CD 3.25Å; F1261-P1264 WeakPolarHBondContact O-CD 3.31Å; F1261-P1264 VanDerWaalsContact O-CG 3.26Å; F1261-P1264 WeakPolarHBondContact O-CG 3.42Å; F1261-L1265 HydrophobicContact CB-CD1 4.44Å; F1261-L1265 VanDerWaalsContact O-CB 3.31Å; F1261-L1265 WeakPolarHBondContact O-CB 3.39Å; F1261-L1265 WeakPolarHBondContact O-CD1 3.35Å; F1261-L1265 VanDerWaalsContact O-CG 3.24Å; F1261-L1265 WeakPolarHBondContact O-CG 3.42Å; F1261-L1265 PolarHBondContact O-N 3.12Å; F1261-L1265 VanDerWaalsContact O-N 3.08Å; F1261-L1307 HydrophobicContact CD1-CD2 4.39Å; F1261-L1310 HydrophobicContact CB-CD1 4.07Å; F1261-L1310 HydrophobicContact CD1-CD1 3.54Å; F1261-L1310 HydrophobicContact CD1-CD2 4.27Å; F1261-L1310 HydrophobicContact CD1-CG 4.19Å; F1261-L1310 HydrophobicContact CD2-CD1 3.78Å; F1261-L1310 HydrophobicContact CD2-CD2 3.58Å; F1261-L1310 VanDerWaalsContact CD2-CD2 3.45Å; F1261-L1310 HydrophobicContact CD2-CG 4.26Å; F1261-L1310 HydrophobicContact CE1-CD1 3.54Å; F1261-L1310 HydrophobicContact CE1-CD2 3.95Å; F1261-L1310 HydrophobicContact CE1-CG 4.09Å; F1261-L1310 HydrophobicContact CE2-CD1 3.94Å; F1261-L1310 HydrophobicContact CE2-CD2 3.14Å; F1261-L1310 HydrophobicContact CE2-CG 4.08Å; F1261-L1310 HydrophobicContact CG-CD1 3.35Å; F1261-L1310 HydrophobicContact CG-CD2 4.12Å; F1261-L1310 HydrophobicContact CG-CG 4.3Å; F1261-L1310 HydrophobicContact CZ-CD1 3.82Å; F1261-L1310 HydrophobicContact CZ-CD2 3.62Å; F1261-L1310 HydrophobicContact CZ-CG 3.9Å |
| 1262 | H | 74 | Confident | 69.7 | Low | 57.6 Ų | 57.6 | 53.2 Ų | 53.2 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | -179.2 | -170.1 | 48.7 | 0 | 0 | 0 | 111.6 | A1259 T1266 R1343 N1345 L1348 | A1259-H1262 PolarHBondContact O-N 2.93Å; H1262-T1266 WeakPolarHBondContact O-CB 3.39Å; H1262-T1266 VanDerWaalsContact O-CG2 3.3Å; H1262-T1266 WeakPolarHBondContact O-CG2 3.38Å; H1262-T1266 PolarHBondContact O-N 3.03Å; H1262-T1266 PolarHBondContact O-OG1 3.21Å; H1262-R1343 PolarHBondContact CD2-O 3.39Å; H1262-R1343 VanDerWaalsContact CD2-O 3.23Å; H1262-R1343 PolarHBondContact NE2-O 3.1Å; H1262-N1345 WeakPolarHBondContact CA-OD1 3.06Å; H1262-N1345 PolarHBondContact ND1-OD1 2.94Å; H1262-L1348 VanDerWaalsContact CE1-CD1 3.42Å; H1262-L1348 WeakPolarHBondContact CE1-CD1 3.31Å; H1262-L1348 WeakPolarHBondContact ND1-CD1 3.4Å |
| 1263 | Q | 77.6 | Confident | 71.3 | Confident | 108.8 Ų | 108.8 | 51.3 Ų | 51.3 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 178.7 | -66.7 | -178.6 | -15.6 | 0 | 0 | 114 | W1245 F1261 L1265 T1266 A1267 | W1245-Q1263 HydrophobicContact CE3-CB 4.2Å; W1245-Q1263 HydrophobicContact CH2-CB 3.75Å; W1245-Q1263 HydrophobicContact CH2-CG 4.36Å; W1245-Q1263 HydrophobicContact CZ2-CB 4.18Å; W1245-Q1263 HydrophobicContact CZ3-CB 3.65Å; W1245-Q1263 HydrophobicContact CZ3-CG 4.27Å; W1245-Q1263 VanDerWaalsContact CZ3-OE1 3.29Å; F1261-Q1263 VanDerWaalsContact C-N 3.33Å; F1261-Q1263 PolarHBondContact O-N 3.27Å; Q1263-L1265 PolarHBondContact O-N 3.3Å; Q1263-T1266 WeakPolarHBondContact CA-OG1 3.32Å; Q1263-T1266 PolarHBondContact O-N 2.88Å; Q1263-T1266 PolarHBondContact O-OG1 3.33Å; Q1263-A1267 VanDerWaalsContact O-CB 3.29Å; Q1263-A1267 WeakPolarHBondContact O-CB 3.33Å; Q1263-A1267 PolarHBondContact O-N 3.26Å |
| 1264 | P | 78.5 | Confident | 72.9 | Confident | 1.4 Ų | 1.4 | 51.2 Ų | 51.2 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 177.3 | 23.1 | -33.1 | 0 | 0 | 0 | 112.6 | W1245 F1250 E1260 F1261 A1267 W1268 | W1245-P1264 HydrophobicContact CB-CB 4.39Å; W1245-P1264 HydrophobicContact CB-CG 4.45Å; W1245-P1264 HydrophobicContact CD2-CB 4Å; W1245-P1264 HydrophobicContact CD2-CG 4.4Å; W1245-P1264 HydrophobicContact CE3-CB 3.93Å; W1245-P1264 HydrophobicContact CG-CB 4.09Å; W1245-P1264 HydrophobicContact CG-CG 4.36Å; W1245-P1264 HydrophobicContact CH2-CB 4.48Å; W1245-P1264 HydrophobicContact CZ2-CB 4.32Å; W1245-P1264 HydrophobicContact CZ3-CB 4.28Å; F1250-P1264 HydrophobicContact CE1-CG 4.3Å; F1250-P1264 HydrophobicContact CZ-CB 4.1Å; F1250-P1264 HydrophobicContact CZ-CG 4.06Å; E1260-P1264 WeakPolarHBondContact O-CD 3.27Å; E1260-P1264 VanDerWaalsContact O-CG 3.29Å; E1260-P1264 WeakPolarHBondContact O-CG 3.34Å; F1261-P1264 VanDerWaalsContact C-CD 3.47Å; F1261-P1264 VanDerWaalsContact O-CD 3.25Å; F1261-P1264 WeakPolarHBondContact O-CD 3.31Å; F1261-P1264 VanDerWaalsContact O-CG 3.26Å; F1261-P1264 WeakPolarHBondContact O-CG 3.42Å; P1264-A1267 PolarHBondContact O-N 3.1Å; P1264-W1268 HydrophobicContact CB-CD2 4.49Å; P1264-W1268 HydrophobicContact CB-CE3 4.31Å; P1264-W1268 HydrophobicContact CB-CH2 4.02Å; P1264-W1268 HydrophobicContact CB-CZ2 4.29Å; P1264-W1268 HydrophobicContact CB-CZ3 3.96Å; P1264-W1268 VanDerWaalsContact CB-CZ3 3.47Å; P1264-W1268 HydrophobicContact CG-CZ3 4.43Å; P1264-W1268 WeakPolarHBondContact O-CB 3.42Å; P1264-W1268 VanDerWaalsContact O-CD2 3.28Å; P1264-W1268 VanDerWaalsContact O-CE3 3.3Å; P1264-W1268 VanDerWaalsContact O-CG 3.31Å; P1264-W1268 PolarHBondContact O-N 3.2Å |
| 1265 | L | 80.1 | Confident | 74.2 | Confident | 7.8 Ų | 7.8 | 47.6 Ų | 47.6 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -45 | 177.9 | -69.8 | 172.9 | 0 | 0 | 0 | 111.7 | F1261 Q1263 W1268 L1269 L1307 N1345 L1348 I1352 | F1261-L1265 HydrophobicContact CB-CD1 4.44Å; F1261-L1265 VanDerWaalsContact O-CB 3.31Å; F1261-L1265 WeakPolarHBondContact O-CB 3.39Å; F1261-L1265 WeakPolarHBondContact O-CD1 3.35Å; F1261-L1265 VanDerWaalsContact O-CG 3.24Å; F1261-L1265 WeakPolarHBondContact O-CG 3.42Å; F1261-L1265 PolarHBondContact O-N 3.12Å; F1261-L1265 VanDerWaalsContact O-N 3.08Å; Q1263-L1265 PolarHBondContact O-N 3.3Å; L1265-W1268 HydrophobicContact CD2-CE3 4.16Å; L1265-W1268 HydrophobicContact CD2-CZ3 4.23Å; L1265-W1268 PolarHBondContact O-N 3.46Å; L1265-L1269 VanDerWaalsContact O-CB 3.3Å; L1265-L1269 WeakPolarHBondContact O-CB 3.37Å; L1265-L1269 PolarHBondContact O-N 3.2Å; L1265-L1307 HydrophobicContact CD2-CD2 4.2Å; L1265-N1345 HydrophobicContact CD1-CB 4.09Å; L1265-L1348 HydrophobicContact CB-CB 4.17Å; L1265-L1348 HydrophobicContact CB-CD1 4.07Å; L1265-L1348 HydrophobicContact CD1-CB 4.4Å; L1265-I1352 HydrophobicContact CB-CD1 4.2Å; L1265-I1352 HydrophobicContact CD2-CD1 3.53Å; L1265-I1352 VanDerWaalsContact CD2-CD1 3.46Å; L1265-I1352 HydrophobicContact CG-CD1 4.46Å |
| 1266 | T | 81.8 | Confident | 75.6 | Confident | 51 Ų | 51 | 41.1 Ų | 41.1 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65 | -40.9 | 175.8 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | H1262 Q1263 L1269 S1270 L1348 | H1262-T1266 WeakPolarHBondContact O-CB 3.39Å; H1262-T1266 VanDerWaalsContact O-CG2 3.3Å; H1262-T1266 WeakPolarHBondContact O-CG2 3.38Å; H1262-T1266 PolarHBondContact O-N 3.03Å; H1262-T1266 PolarHBondContact O-OG1 3.21Å; Q1263-T1266 WeakPolarHBondContact CA-OG1 3.32Å; Q1263-T1266 PolarHBondContact O-N 2.88Å; Q1263-T1266 PolarHBondContact O-OG1 3.33Å; T1266-L1269 PolarHBondContact O-N 3.24Å; T1266-S1270 WeakPolarHBondContact O-CB 3.32Å; T1266-S1270 PolarHBondContact O-N 3.13Å; T1266-S1270 PolarHBondContact O-OG 3.18Å; T1266-L1348 HydrophobicContact CG2-CD1 3.67Å; T1266-L1348 HydrophobicContact CG2-CD2 3.96Å; T1266-L1348 HydrophobicContact CG2-CG 4.4Å |
| 1267 | A | 82.9 | Confident | 77 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 13% | 0.132 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1224 W1245 Q1263 P1264 L1269 S1270 A1271 | F1224-A1267 HydrophobicContact CD1-CB 4.04Å; F1224-A1267 HydrophobicContact CE1-CB 3.89Å; F1224-A1267 WeakPolarHBondContact CE1-O 3.44Å; F1224-A1267 HydrophobicContact CZ-CB 4.42Å; W1245-A1267 HydrophobicContact CH2-CB 4.26Å; W1245-A1267 HydrophobicContact CZ2-CB 4.1Å; Q1263-A1267 VanDerWaalsContact O-CB 3.29Å; Q1263-A1267 WeakPolarHBondContact O-CB 3.33Å; Q1263-A1267 PolarHBondContact O-N 3.26Å; P1264-A1267 PolarHBondContact O-N 3.1Å; A1267-L1269 PolarHBondContact O-N 3.4Å; A1267-S1270 PolarHBondContact O-N 3.17Å; A1267-S1270 PolarHBondContact O-OG 3.07Å; A1267-A1271 WeakPolarHBondContact O-CB 3.32Å; A1267-A1271 PolarHBondContact O-N 3.24Å; A1267-A1271 VanDerWaalsContact O-N 3.08Å |
| 1268 | W | 84.7 | Confident | 78.2 | Confident | 8.4 Ų | 8.4 | 43.1 Ų | 43.1 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 176.1 | -72.9 | -39.4 | 0 | 0 | 0 | 112.4 | F1224 F1250 P1264 L1265 S1270 A1271 L1272 E1287 L1304 L1307 I1352 W1375 | F1224-W1268 AromaticContact CE2-CD1 3.43Å; F1224-W1268 VanDerWaalsContact CE2-CD1 3.41Å; F1224-W1268 HydrophobicContact CE2-CG 4.32Å; F1224-W1268 AromaticContact CE2-NE1 3.57Å; F1224-W1268 VanDerWaalsContact CE2-NE1 3.29Å; F1224-W1268 AromaticContact CZ-CD1 3.59Å; F1224-W1268 VanDerWaalsContact CZ-CD1 3.44Å; F1224-W1268 HydrophobicContact CZ-CG 4.25Å; F1224-W1268 AromaticContact CZ-NE1 3.9Å; F1250-W1268 AromaticContact CE2-CH2 3.94Å; F1250-W1268 HydrophobicContact CE2-CH2 3.99Å; F1250-W1268 HydrophobicContact CE2-CZ2 4.39Å; P1264-W1268 HydrophobicContact CB-CD2 4.49Å; P1264-W1268 HydrophobicContact CB-CE3 4.31Å; P1264-W1268 HydrophobicContact CB-CH2 4.02Å; P1264-W1268 HydrophobicContact CB-CZ2 4.29Å; P1264-W1268 HydrophobicContact CB-CZ3 3.96Å; P1264-W1268 VanDerWaalsContact CB-CZ3 3.47Å; P1264-W1268 HydrophobicContact CG-CZ3 4.43Å; P1264-W1268 WeakPolarHBondContact O-CB 3.42Å; P1264-W1268 VanDerWaalsContact O-CD2 3.28Å; P1264-W1268 VanDerWaalsContact O-CE3 3.3Å; P1264-W1268 VanDerWaalsContact O-CG 3.31Å; P1264-W1268 PolarHBondContact O-N 3.2Å; L1265-W1268 HydrophobicContact CD2-CE3 4.16Å; L1265-W1268 HydrophobicContact CD2-CZ3 4.23Å; L1265-W1268 PolarHBondContact O-N 3.46Å; W1268-S1270 VanDerWaalsContact C-N 3.32Å; W1268-S1270 PolarHBondContact O-N 3.09Å; W1268-A1271 PolarHBondContact O-N 2.98Å; W1268-A1271 VanDerWaalsContact O-N 3.14Å; W1268-L1272 VanDerWaalsContact O-CB 3.3Å; W1268-L1272 WeakPolarHBondContact O-CB 3.39Å; W1268-L1272 VanDerWaalsContact O-CG 3.28Å; W1268-L1272 WeakPolarHBondContact O-CG 3.35Å; W1268-L1272 PolarHBondContact O-N 3.2Å; W1268-E1287 HydrophobicContact CZ2-CG 4.21Å; W1268-E1287 PolarHBondContact NE1-OE1 3.24Å; W1268-L1304 HydrophobicContact CD2-CD1 4.06Å; W1268-L1304 HydrophobicContact CD2-CD2 4.05Å; W1268-L1304 HydrophobicContact CE3-CD1 4.36Å; W1268-L1304 HydrophobicContact CE3-CD2 4.01Å; W1268-L1304 HydrophobicContact CH2-CD1 3.55Å; W1268-L1304 VanDerWaalsContact CH2-CD1 3.42Å; W1268-L1304 HydrophobicContact CH2-CD2 3.68Å; W1268-L1304 HydrophobicContact CH2-CG 3.46Å; W1268-L1304 VanDerWaalsContact CH2-CG 3.4Å; W1268-L1304 HydrophobicContact CZ2-CD1 3.1Å; W1268-L1304 HydrophobicContact CZ2-CD2 3.65Å; W1268-L1304 VanDerWaalsContact CZ2-CD2 3.42Å; W1268-L1304 HydrophobicContact CZ2-CG 3.52Å; W1268-L1304 VanDerWaalsContact CZ2-CG 3.42Å; W1268-L1304 HydrophobicContact CZ3-CD1 4.11Å; W1268-L1304 HydrophobicContact CZ3-CD2 3.78Å; W1268-L1304 HydrophobicContact CZ3-CG 4.07Å; W1268-L1307 HydrophobicContact CZ3-CD1 3.92Å; W1268-L1307 HydrophobicContact CZ3-CD2 4.17Å; W1268-L1307 HydrophobicContact CZ3-CG 4.4Å; W1268-I1352 HydrophobicContact CB-CD1 4.41Å; W1268-W1375 HydrophobicContact CB-CH2 4.17Å; W1268-W1375 HydrophobicContact CD2-CH2 4.18Å; W1268-W1375 AromaticContact CG-CH2 3.91Å; W1268-W1375 HydrophobicContact CG-CH2 4.07Å |
| 1269 | L | 85.3 | Confident | 79.6 | Confident | 32.6 Ų | 32.6 | 39.1 Ų | 39.1 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 177.6 | -176.8 | 96.5 | 0 | 0 | 0 | 111 | L1265 T1266 A1267 A1271 L1272 T1273 L1348 D1351 I1352 | L1265-L1269 VanDerWaalsContact O-CB 3.3Å; L1265-L1269 WeakPolarHBondContact O-CB 3.37Å; L1265-L1269 PolarHBondContact O-N 3.2Å; T1266-L1269 PolarHBondContact O-N 3.24Å; A1267-L1269 PolarHBondContact O-N 3.4Å; L1269-A1271 VanDerWaalsContact C-N 3.27Å; L1269-A1271 PolarHBondContact O-N 3.23Å; L1269-L1272 PolarHBondContact O-N 3.25Å; L1269-T1273 HydrophobicContact CD1-CG2 4.08Å; L1269-T1273 HydrophobicContact CD2-CG2 4.1Å; L1269-T1273 HydrophobicContact CG-CG2 4.44Å; L1269-T1273 WeakPolarHBondContact O-CB 3.31Å; L1269-T1273 VanDerWaalsContact O-CG2 3.31Å; L1269-T1273 WeakPolarHBondContact O-CG2 3.39Å; L1269-T1273 PolarHBondContact O-N 3.28Å; L1269-T1273 PolarHBondContact O-OG1 3.15Å; L1269-L1348 HydrophobicContact CD1-CD2 4.1Å; L1269-L1348 HydrophobicContact CD2-CD2 4.07Å; L1269-D1351 HydrophobicContact CD1-CB 3.63Å; L1269-D1351 VanDerWaalsContact CD1-CB 3.47Å; L1269-D1351 HydrophobicContact CD2-CB 3.9Å; L1269-D1351 HydrophobicContact CG-CB 4.38Å; L1269-I1352 HydrophobicContact CB-CG1 4.02Å; L1269-I1352 HydrophobicContact CD1-CG1 4.18Å; L1269-I1352 HydrophobicContact CG-CG1 4.5Å |
| 1270 | S | 85.3 | Confident | 80.8 | Confident | 56.2 Ų | 56.2 | 37.3 Ų | 37.3 | 39% | 0.393 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.7 | -35.2 | 178.5 | 74.5 | 0 | 0 | 0 | 0 | 112.8 | T1266 A1267 W1268 T1273 H1274 | T1266-S1270 WeakPolarHBondContact O-CB 3.32Å; T1266-S1270 PolarHBondContact O-N 3.13Å; T1266-S1270 PolarHBondContact O-OG 3.18Å; A1267-S1270 PolarHBondContact O-N 3.17Å; A1267-S1270 PolarHBondContact O-OG 3.07Å; W1268-S1270 VanDerWaalsContact C-N 3.32Å; W1268-S1270 PolarHBondContact O-N 3.09Å; S1270-T1273 PolarHBondContact O-OG1 3.11Å; S1270-H1274 PolarHBondContact O-N 3.3Å |
| 1271 | A | 85.4 | Confident | 81.7 | Confident | 4.8 Ų | 4.8 | 39.1 Ų | 39.1 | 4% | 0.04 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -85.5 | -30.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1224 F1225 A1267 W1268 L1269 H1274 V1279 R1280 T1283 | F1224-A1271 HydrophobicContact CE1-CB 3.8Å; F1224-A1271 HydrophobicContact CZ-CB 3.77Å; F1225-A1271 HydrophobicContact CD1-CB 4.44Å; A1267-A1271 WeakPolarHBondContact O-CB 3.32Å; A1267-A1271 PolarHBondContact O-N 3.24Å; A1267-A1271 VanDerWaalsContact O-N 3.08Å; W1268-A1271 PolarHBondContact O-N 2.98Å; W1268-A1271 VanDerWaalsContact O-N 3.14Å; L1269-A1271 VanDerWaalsContact C-N 3.27Å; L1269-A1271 PolarHBondContact O-N 3.23Å; A1271-H1274 VanDerWaalsContact O-CB 3.25Å; A1271-H1274 WeakPolarHBondContact O-CB 3.44Å; A1271-H1274 PolarHBondContact O-N 3.12Å; A1271-V1279 HydrophobicContact CB-CG1 4.48Å; A1271-R1280 WeakPolarHBondContact O-CG 3.37Å; A1271-T1283 HydrophobicContact CB-CG2 3.26Å |
| 1272 | L | 85.5 | Confident | 82.4 | Confident | 6.8 Ų | 6.8 | 38.9 Ų | 38.9 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -73.4 | -34.2 | 172.9 | -72.9 | 173 | 0 | 0 | 0 | 112.4 | W1268 L1269 H1274 R1280 L1284 I1352 L1356 Y1372 W1375 | W1268-L1272 VanDerWaalsContact O-CB 3.3Å; W1268-L1272 WeakPolarHBondContact O-CB 3.39Å; W1268-L1272 VanDerWaalsContact O-CG 3.28Å; W1268-L1272 WeakPolarHBondContact O-CG 3.35Å; W1268-L1272 PolarHBondContact O-N 3.2Å; L1269-L1272 PolarHBondContact O-N 3.25Å; L1272-H1274 VanDerWaalsContact C-N 3.27Å; L1272-H1274 PolarHBondContact O-N 3.12Å; L1272-R1280 WeakPolarHBondContact O-CD 3.33Å; L1272-R1280 WeakPolarHBondContact O-CG 3.32Å; L1272-L1284 HydrophobicContact CD2-CD2 3.65Å; L1272-L1284 HydrophobicContact CD2-CG 4Å; L1272-I1352 HydrophobicContact CD1-CG2 4.04Å; L1272-L1356 HydrophobicContact CD1-CD2 4Å; L1272-L1356 HydrophobicContact CD1-CG 4.38Å; L1272-L1356 HydrophobicContact CD2-CD2 4.17Å; L1272-Y1372 HydrophobicContact CD2-CE1 4.39Å; L1272-W1375 HydrophobicContact CD1-CE3 4.38Å; L1272-W1375 HydrophobicContact CD1-CH2 4.15Å; L1272-W1375 HydrophobicContact CD1-CZ3 4.07Å |
| 1273 | T | 82.9 | Confident | 82.9 | Confident | 77.6 Ų | 77.6 | 36.2 Ų | 36.2 | 48% | 0.476 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -82.8 | -3.4 | 174.2 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | L1269 S1270 S1275 | L1269-T1273 HydrophobicContact CD1-CG2 4.08Å; L1269-T1273 HydrophobicContact CD2-CG2 4.1Å; L1269-T1273 HydrophobicContact CG-CG2 4.44Å; L1269-T1273 WeakPolarHBondContact O-CB 3.31Å; L1269-T1273 VanDerWaalsContact O-CG2 3.31Å; L1269-T1273 WeakPolarHBondContact O-CG2 3.39Å; L1269-T1273 PolarHBondContact O-N 3.28Å; L1269-T1273 PolarHBondContact O-OG1 3.15Å; S1270-T1273 PolarHBondContact O-OG1 3.11Å; T1273-S1275 PolarHBondContact O-N 3.26Å |
| 1274 | H | 83.2 | Confident | 83.1 | Confident | 38.6 Ų | 38.6 | 31 Ų | 31 | 18% | 0.179 | 17% | 0.165 | C | C | . | . | trans | -61.8 | 141.3 | -179.2 | -164.3 | -87.5 | 0 | 0 | 0 | 112 | D1185 S1270 A1271 L1272 S1276 V1279 R1280 | D1185-H1274 IonicContact OD1-CE1 3.19Å; D1185-H1274 PolarHBondContact OD1-CE1 3.07Å; D1185-H1274 IonicContact OD1-ND1 3.02Å; D1185-H1274 IonicContact OD2-CE1 3.65Å; S1270-H1274 PolarHBondContact O-N 3.3Å; A1271-H1274 VanDerWaalsContact O-CB 3.25Å; A1271-H1274 WeakPolarHBondContact O-CB 3.44Å; A1271-H1274 PolarHBondContact O-N 3.12Å; L1272-H1274 VanDerWaalsContact C-N 3.27Å; L1272-H1274 PolarHBondContact O-N 3.12Å; H1274-S1276 VanDerWaalsContact C-N 3.29Å; H1274-S1276 VanDerWaalsContact ND1-CB 3.34Å; H1274-S1276 WeakPolarHBondContact ND1-CB 3.39Å; H1274-S1276 PolarHBondContact ND1-N 3.08Å; H1274-S1276 VanDerWaalsContact ND1-N 3.15Å; H1274-S1276 PolarHBondContact O-N 3.27Å; H1274-V1279 HydrophobicContact CB-CB 4.39Å; H1274-V1279 HydrophobicContact CB-CG1 3.99Å; H1274-R1280 WeakPolarHBondContact O-CD 3.26Å; H1274-R1280 WeakPolarHBondContact O-CG 3.45Å; H1274-R1280 PolarHBondContact O-NE 3.41Å; H1274-R1280 PolarHBondContact O-NH1 3.15Å | ||
| 1275 | S | 76.3 | Confident | 83 | Confident | 38.8 Ų | 38.8 | 32.4 Ų | 32.4 | 27% | 0.271 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -62.9 | -37.4 | -174.7 | 63.7 | 0 | 0 | 0 | 0 | 112.8 | T1273 R1280 R1426 | T1273-S1275 PolarHBondContact O-N 3.26Å; S1275-R1280 PolarHBondContact O-NH1 3.46Å; S1275-R1426 WeakPolarHBondContact O-CD 3.44Å; S1275-R1426 WeakPolarHBondContact O-CG 3.41Å; S1275-R1426 PolarHBondContact O-NH1 3.12Å |
| 1276 | S | 79.7 | Confident | 82.6 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | trans | -77.2 | 124.7 | -178.8 | -179.9 | 0 | 0 | 0 | 0 | 114 | D1185 H1274 S1278 V1279 R1280 | D1185-S1276 WeakPolarHBondContact OD1-CB 3.41Å; D1185-S1276 PolarHBondContact OD1-OG 3.23Å; H1274-S1276 VanDerWaalsContact C-N 3.29Å; H1274-S1276 VanDerWaalsContact ND1-CB 3.34Å; H1274-S1276 WeakPolarHBondContact ND1-CB 3.39Å; H1274-S1276 PolarHBondContact ND1-N 3.08Å; H1274-S1276 VanDerWaalsContact ND1-N 3.15Å; H1274-S1276 PolarHBondContact O-N 3.27Å; S1276-S1278 VanDerWaalsContact C-N 3.29Å; S1276-S1278 PolarHBondContact O-N 3.2Å; S1276-V1279 PolarHBondContact O-N 2.99Å; S1276-R1280 PolarHBondContact O-N 3.1Å | ||
| 1277 | R | 83.1 | Confident | 81.6 | Confident | 100.2 Ų | 100.2 | 31 Ų | 31 | 38% | 0.378 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.5 | -35.3 | 176.2 | -174.6 | -178.5 | -104.9 | 170.6 | -0.9 | 112.6 | V1279 R1280 R1281 D1363 T1364 D1365 M1368 | R1277-V1279 VanDerWaalsContact C-N 3.32Å; R1277-V1279 PolarHBondContact O-N 3.06Å; R1277-R1280 PolarHBondContact O-N 3.14Å; R1277-R1281 VanDerWaalsContact O-CB 3.3Å; R1277-R1281 WeakPolarHBondContact O-CB 3.28Å; R1277-R1281 PolarHBondContact O-N 3.09Å; R1277-D1363 IonicContact CZ-OD1 3.58Å; R1277-D1363 VanDerWaalsContact CZ-OD1 3.31Å; R1277-D1363 IonicContact NE-OD1 3.03Å; R1277-D1363 PolarHBondContact NE-OD1 3.19Å; R1277-D1363 IonicContact NE-OD2 3.37Å; R1277-D1363 IonicContact NH2-OD1 3.16Å; R1277-D1363 PolarHBondContact NH2-OD1 3.02Å; R1277-T1364 PolarHBondContact NH2-OG1 3.24Å; R1277-D1365 IonicContact CZ-OD2 3.98Å; R1277-D1365 IonicContact NH2-OD2 3.23Å; R1277-D1365 PolarHBondContact NH2-OD2 3.48Å; R1277-M1368 HydrophobicContact CG-CE 4.31Å; R1277-M1368 HydrophobicContact CG-CG 4.04Å; R1277-M1368 HydrophobicContact CG-SD 4.23Å |
| 1278 | S | 82.7 | Confident | 80.4 | Confident | 43.8 Ų | 43.8 | 31.8 Ų | 31.8 | 31% | 0.306 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.5 | -38.2 | -178.8 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | S1276 R1281 L1282 | S1276-S1278 VanDerWaalsContact C-N 3.29Å; S1276-S1278 PolarHBondContact O-N 3.2Å; S1278-R1281 PolarHBondContact O-N 2.93Å; S1278-L1282 WeakPolarHBondContact O-CG 3.31Å; S1278-L1282 PolarHBondContact O-N 3.17Å; S1278-L1282 VanDerWaalsContact O-N 3.08Å |
| 1279 | V | 84.9 | Confident | 78.8 | Confident | 0.6 Ų | 0.6 | 35.6 Ų | 35.6 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -53.8 | 175 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | P1184 D1185 A1188 F1225 A1271 H1274 S1276 R1277 R1281 L1282 T1283 | P1184-V1279 HydrophobicContact CB-CG1 4.26Å; P1184-V1279 HydrophobicContact CB-CG2 3.96Å; P1184-V1279 WeakPolarHBondContact O-CG2 3.29Å; D1185-V1279 WeakPolarHBondContact OD1-CG2 3.22Å; A1188-V1279 HydrophobicContact CB-CG2 3.87Å; F1225-V1279 HydrophobicContact CD1-CG1 4.33Å; F1225-V1279 HydrophobicContact CE1-CG1 3.72Å; F1225-V1279 HydrophobicContact CZ-CG1 3.98Å; F1225-V1279 HydrophobicContact CZ-CG2 4.31Å; A1271-V1279 HydrophobicContact CB-CG1 4.48Å; H1274-V1279 HydrophobicContact CB-CB 4.39Å; H1274-V1279 HydrophobicContact CB-CG1 3.99Å; S1276-V1279 PolarHBondContact O-N 2.99Å; R1277-V1279 VanDerWaalsContact C-N 3.32Å; R1277-V1279 PolarHBondContact O-N 3.06Å; V1279-R1281 VanDerWaalsContact C-N 3.26Å; V1279-R1281 PolarHBondContact O-N 3.12Å; V1279-L1282 PolarHBondContact O-N 3.15Å; V1279-L1282 VanDerWaalsContact O-N 3.07Å; V1279-T1283 HydrophobicContact CG1-CG2 4.2Å; V1279-T1283 VanDerWaalsContact O-CG2 3.24Å; V1279-T1283 WeakPolarHBondContact O-CG2 3.27Å; V1279-T1283 PolarHBondContact O-N 3.02Å; V1279-T1283 PolarHBondContact O-OG1 3.3Å |
| 1280 | R | 88.2 | Confident | 76.8 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.2 | -39.4 | 176.6 | -64.5 | -166.8 | -62.1 | -154.2 | 1.8 | 112.5 | A1271 L1272 H1274 S1275 S1276 R1277 T1283 L1284 D1363 M1368 Y1372 | A1271-R1280 WeakPolarHBondContact O-CG 3.37Å; L1272-R1280 WeakPolarHBondContact O-CD 3.33Å; L1272-R1280 WeakPolarHBondContact O-CG 3.32Å; H1274-R1280 WeakPolarHBondContact O-CD 3.26Å; H1274-R1280 WeakPolarHBondContact O-CG 3.45Å; H1274-R1280 PolarHBondContact O-NE 3.41Å; H1274-R1280 PolarHBondContact O-NH1 3.15Å; S1275-R1280 PolarHBondContact O-NH1 3.46Å; S1276-R1280 PolarHBondContact O-N 3.1Å; R1277-R1280 PolarHBondContact O-N 3.14Å; R1280-T1283 VanDerWaalsContact C-OG1 3.29Å; R1280-T1283 VanDerWaalsContact CA-OG1 3.31Å; R1280-T1283 WeakPolarHBondContact CA-OG1 3.3Å; R1280-T1283 PolarHBondContact O-N 3.1Å; R1280-T1283 PolarHBondContact O-OG1 3.05Å; R1280-L1284 VanDerWaalsContact O-CB 3.31Å; R1280-L1284 WeakPolarHBondContact O-CB 3.17Å; R1280-L1284 WeakPolarHBondContact O-CD1 3.28Å; R1280-L1284 WeakPolarHBondContact O-CG 3.36Å; R1280-L1284 PolarHBondContact O-N 3.31Å; R1280-L1284 VanDerWaalsContact O-N 3.09Å; R1280-D1363 IonicContact CZ-OD2 3.12Å; R1280-D1363 VanDerWaalsContact CZ-OD2 3.31Å; R1280-D1363 IonicContact NE-OD2 3.41Å; R1280-D1363 PolarHBondContact NE-OD2 2.79Å; R1280-D1363 IonicContact NH1-OD2 3.83Å; R1280-D1363 PolarHBondContact NH1-OD2 3.26Å; R1280-D1363 IonicContact NH2-OD1 3.44Å; R1280-D1363 PolarHBondContact NH2-OD1 3.38Å; R1280-D1363 VanDerWaalsContact NH2-OD1 3.14Å; R1280-D1363 IonicContact NH2-OD2 3.18Å; R1280-D1363 PolarHBondContact NH2-OD2 3.26Å; R1280-D1363 VanDerWaalsContact NH2-OD2 3.09Å; R1280-M1368 HydrophobicContact CB-CE 4.02Å; R1280-Y1372 WeakPolarHBondContact CD-OH 3.35Å; R1280-Y1372 PolarHBondContact NE-OH 2.9Å; R1280-Y1372 PolarHBondContact NH1-OH 3.09Å |
| 1281 | R | 85 | Confident | 74.6 | Confident | 117.8 Ų | 117.8 | 37.6 Ų | 37.6 | 45% | 0.445 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.6 | -49.5 | 176.7 | -171.2 | 177.7 | 66.5 | 170.8 | 2.3 | 111.1 | R1277 S1278 V1279 T1283 L1284 T1285 M1368 L1371 | R1277-R1281 VanDerWaalsContact O-CB 3.3Å; R1277-R1281 WeakPolarHBondContact O-CB 3.28Å; R1277-R1281 PolarHBondContact O-N 3.09Å; S1278-R1281 PolarHBondContact O-N 2.93Å; V1279-R1281 VanDerWaalsContact C-N 3.26Å; V1279-R1281 PolarHBondContact O-N 3.12Å; R1281-T1283 VanDerWaalsContact C-N 3.31Å; R1281-T1283 PolarHBondContact O-N 3.18Å; R1281-L1284 PolarHBondContact O-N 3.09Å; R1281-L1284 VanDerWaalsContact O-N 3.13Å; R1281-T1285 HydrophobicContact CG-CG2 4.4Å; R1281-T1285 WeakPolarHBondContact O-CB 3.41Å; R1281-T1285 VanDerWaalsContact O-CG2 3.27Å; R1281-T1285 WeakPolarHBondContact O-CG2 3.38Å; R1281-T1285 PolarHBondContact O-N 3.23Å; R1281-T1285 PolarHBondContact O-OG1 3.21Å; R1281-T1285 VanDerWaalsContact O-OG1 3.1Å; R1281-M1368 HydrophobicContact CB-CE 4.22Å; R1281-M1368 HydrophobicContact CB-SD 3.51Å; R1281-M1368 VanDerWaalsContact CB-SD 3.54Å; R1281-M1368 WeakPolarHBondContact CB-SD 3.22Å; R1281-M1368 HydrophobicContact CG-SD 3.68Å; R1281-M1368 VanDerWaalsContact CG-SD 3.57Å; R1281-L1371 HydrophobicContact CG-CD1 4.08Å |
| 1282 | L | 83.2 | Confident | 72.4 | Confident | 15.8 Ų | 15.8 | 41.2 Ų | 41.2 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | -179.5 | -73.9 | 176.6 | 0 | 0 | 0 | 111.9 | A1188 V1191 F1225 S1278 V1279 L1284 T1285 S1286 | A1188-L1282 VanDerWaalsContact CA-CD1 3.46Å; A1188-L1282 HydrophobicContact CB-CD1 3.67Å; V1191-L1282 HydrophobicContact CB-CD1 4.18Å; V1191-L1282 HydrophobicContact CG1-CD1 4.37Å; V1191-L1282 HydrophobicContact CG1-CD2 4.14Å; V1191-L1282 HydrophobicContact CG2-CD1 4.27Å; F1225-L1282 HydrophobicContact CB-CB 4.38Å; F1225-L1282 HydrophobicContact CD2-CB 3.62Å; F1225-L1282 HydrophobicContact CD2-CD1 3.97Å; F1225-L1282 HydrophobicContact CD2-CG 4.47Å; F1225-L1282 HydrophobicContact CE2-CB 4.29Å; F1225-L1282 HydrophobicContact CE2-CD1 4.01Å; F1225-L1282 HydrophobicContact CG-CB 4.26Å; S1278-L1282 WeakPolarHBondContact O-CG 3.31Å; S1278-L1282 PolarHBondContact O-N 3.17Å; S1278-L1282 VanDerWaalsContact O-N 3.08Å; V1279-L1282 PolarHBondContact O-N 3.15Å; V1279-L1282 VanDerWaalsContact O-N 3.07Å; L1282-L1284 VanDerWaalsContact C-N 3.32Å; L1282-L1284 PolarHBondContact O-N 3.3Å; L1282-T1285 VanDerWaalsContact CA-OG1 3.28Å; L1282-T1285 WeakPolarHBondContact CA-OG1 3.31Å; L1282-T1285 CarbonylContact O-C 3.55Å; L1282-T1285 PolarHBondContact O-N 3.27Å; L1282-T1285 PolarHBondContact O-OG1 3.1Å; L1282-S1286 VanDerWaalsContact O-CA 3.31Å; L1282-S1286 WeakPolarHBondContact O-CA 3.32Å; L1282-S1286 VanDerWaalsContact O-CB 3.23Å; L1282-S1286 WeakPolarHBondContact O-CB 3.42Å; L1282-S1286 PolarHBondContact O-N 3.18Å; L1282-S1286 PolarHBondContact O-OG 3.1Å |
| 1283 | T | 84.5 | Confident | 70.2 | Confident | 0.6 Ų | 0.6 | 48 Ų | 48 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.6 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | F1224 F1225 A1271 V1279 R1280 R1281 T1285 S1286 W1375 | F1224-T1283 HydrophobicContact CE2-CG2 4.45Å; F1224-T1283 HydrophobicContact CZ-CG2 4.13Å; F1225-T1283 HydrophobicContact CB-CG2 3.65Å; F1225-T1283 HydrophobicContact CD1-CG2 3.54Å; F1225-T1283 VanDerWaalsContact CD1-CG2 3.47Å; F1225-T1283 HydrophobicContact CE1-CG2 4.34Å; F1225-T1283 HydrophobicContact CG-CG2 3.75Å; A1271-T1283 HydrophobicContact CB-CG2 3.26Å; V1279-T1283 HydrophobicContact CG1-CG2 4.2Å; V1279-T1283 VanDerWaalsContact O-CG2 3.24Å; V1279-T1283 WeakPolarHBondContact O-CG2 3.27Å; V1279-T1283 PolarHBondContact O-N 3.02Å; V1279-T1283 PolarHBondContact O-OG1 3.3Å; R1280-T1283 VanDerWaalsContact C-OG1 3.29Å; R1280-T1283 VanDerWaalsContact CA-OG1 3.31Å; R1280-T1283 WeakPolarHBondContact CA-OG1 3.3Å; R1280-T1283 PolarHBondContact O-N 3.1Å; R1280-T1283 PolarHBondContact O-OG1 3.05Å; R1281-T1283 VanDerWaalsContact C-N 3.31Å; R1281-T1283 PolarHBondContact O-N 3.18Å; T1283-T1285 VanDerWaalsContact C-N 3.32Å; T1283-T1285 PolarHBondContact O-N 2.99Å; T1283-S1286 PolarHBondContact O-N 2.91Å; T1283-S1286 PolarHBondContact O-OG 3.04Å; T1283-S1286 VanDerWaalsContact O-OG 3.13Å; T1283-W1375 WeakPolarHBondContact O-CZ2 3.11Å |
| 1284 | L | 81.8 | Confident | 68.2 | Low | 0.8 Ų | 0.8 | 49.1 Ų | 49.1 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 175.3 | -68.1 | 167.6 | 0 | 0 | 0 | 111.8 | L1272 R1280 R1281 L1282 V1288 L1356 M1368 L1371 Y1372 W1375 | L1272-L1284 HydrophobicContact CD2-CD2 3.65Å; L1272-L1284 HydrophobicContact CD2-CG 4Å; R1280-L1284 VanDerWaalsContact O-CB 3.31Å; R1280-L1284 WeakPolarHBondContact O-CB 3.17Å; R1280-L1284 WeakPolarHBondContact O-CD1 3.28Å; R1280-L1284 WeakPolarHBondContact O-CG 3.36Å; R1280-L1284 PolarHBondContact O-N 3.31Å; R1280-L1284 VanDerWaalsContact O-N 3.09Å; R1281-L1284 PolarHBondContact O-N 3.09Å; R1281-L1284 VanDerWaalsContact O-N 3.13Å; L1282-L1284 VanDerWaalsContact C-N 3.32Å; L1282-L1284 PolarHBondContact O-N 3.3Å; L1284-V1288 VanDerWaalsContact O-CG2 3.28Å; L1284-V1288 WeakPolarHBondContact O-CG2 3.22Å; L1284-L1356 HydrophobicContact CD2-CD2 4.03Å; L1284-M1368 HydrophobicContact CD1-CE 3.76Å; L1284-L1371 HydrophobicContact CB-CB 4.02Å; L1284-L1371 HydrophobicContact CB-CD1 4.3Å; L1284-L1371 HydrophobicContact CB-CG 4.48Å; L1284-L1371 HydrophobicContact CD1-CB 3.91Å; L1284-L1371 HydrophobicContact CG-CB 4.47Å; L1284-Y1372 HydrophobicContact CD1-CD1 3.87Å; L1284-Y1372 HydrophobicContact CD1-CD2 4.42Å; L1284-Y1372 HydrophobicContact CD1-CE1 3.65Å; L1284-Y1372 HydrophobicContact CD1-CE2 4.25Å; L1284-Y1372 HydrophobicContact CD1-CG 4.26Å; L1284-Y1372 HydrophobicContact CD2-CD1 4.03Å; L1284-Y1372 HydrophobicContact CD2-CE1 4.18Å; L1284-Y1372 HydrophobicContact CG-CD1 4.35Å; L1284-Y1372 HydrophobicContact CG-CE1 4.42Å; L1284-W1375 VanDerWaalsContact CA-NE1 3.29Å; L1284-W1375 HydrophobicContact CD2-CB 4.3Å; L1284-W1375 VanDerWaalsContact CD2-CD1 3.46Å; L1284-W1375 HydrophobicContact CD2-CD2 3.94Å; L1284-W1375 HydrophobicContact CD2-CG 3.64Å; L1284-W1375 PolarHBondContact O-NE1 3.14Å |
| 1285 | T | 77.1 | Confident | 66.3 | Low | 29.4 Ų | 29.4 | 54.9 Ų | 54.9 | 18% | 0.18 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -81.6 | -24.7 | -178.6 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | F848 R1281 L1282 T1283 E1287 V1288 N1289 L1371 | F848-T1285 HydrophobicContact CE1-CG2 3.68Å; F848-T1285 HydrophobicContact CZ-CG2 4.25Å; R1281-T1285 HydrophobicContact CG-CG2 4.4Å; R1281-T1285 WeakPolarHBondContact O-CB 3.41Å; R1281-T1285 VanDerWaalsContact O-CG2 3.27Å; R1281-T1285 WeakPolarHBondContact O-CG2 3.38Å; R1281-T1285 PolarHBondContact O-N 3.23Å; R1281-T1285 PolarHBondContact O-OG1 3.21Å; R1281-T1285 VanDerWaalsContact O-OG1 3.1Å; L1282-T1285 VanDerWaalsContact CA-OG1 3.28Å; L1282-T1285 WeakPolarHBondContact CA-OG1 3.31Å; L1282-T1285 CarbonylContact O-C 3.55Å; L1282-T1285 PolarHBondContact O-N 3.27Å; L1282-T1285 PolarHBondContact O-OG1 3.1Å; T1283-T1285 VanDerWaalsContact C-N 3.32Å; T1283-T1285 PolarHBondContact O-N 2.99Å; T1285-E1287 PolarHBondContact O-N 3.02Å; T1285-E1287 VanDerWaalsContact O-N 3.13Å; T1285-V1288 PolarHBondContact O-N 3.22Å; T1285-N1289 PolarHBondContact O-N 3.14Å; T1285-L1371 HydrophobicContact CG2-CD1 3.78Å; T1285-L1371 HydrophobicContact CG2-CD2 3.89Å; T1285-L1371 HydrophobicContact CG2-CG 4.42Å |
| 1286 | S | 70.8 | Confident | 64.5 | Low | 16.4 Ų | 16.4 | 58.6 Ų | 58.6 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.2 | -27.6 | -173.2 | 65.5 | 0 | 0 | 0 | 0 | 112.7 | F1225 L1282 T1283 N1289 R1303 | F1225-S1286 WeakPolarHBondContact O-CB 3.41Å; L1282-S1286 VanDerWaalsContact O-CA 3.31Å; L1282-S1286 WeakPolarHBondContact O-CA 3.32Å; L1282-S1286 VanDerWaalsContact O-CB 3.23Å; L1282-S1286 WeakPolarHBondContact O-CB 3.42Å; L1282-S1286 PolarHBondContact O-N 3.18Å; L1282-S1286 PolarHBondContact O-OG 3.1Å; T1283-S1286 PolarHBondContact O-N 2.91Å; T1283-S1286 PolarHBondContact O-OG 3.04Å; T1283-S1286 VanDerWaalsContact O-OG 3.13Å; S1286-N1289 PolarHBondContact O-ND2 3.07Å; S1286-N1289 VanDerWaalsContact O-ND2 3.09Å; S1286-R1303 PolarHBondContact O-NH2 3.18Å |
| 1287 | E | 61.9 | Low | 62.6 | Low | 13.6 Ų | 13.6 | 60.6 Ų | 60.6 | 6% | 0.064 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -92.6 | -12.1 | -178.9 | -59.5 | -54.8 | 140.5 | 0 | 0 | 114.1 | W1268 T1285 N1289 S1302 R1303 L1304 W1375 | W1268-E1287 HydrophobicContact CZ2-CG 4.21Å; W1268-E1287 PolarHBondContact NE1-OE1 3.24Å; T1285-E1287 PolarHBondContact O-N 3.02Å; T1285-E1287 VanDerWaalsContact O-N 3.13Å; E1287-N1289 VanDerWaalsContact C-N 3.31Å; E1287-N1289 PolarHBondContact O-N 3.26Å; E1287-N1289 VanDerWaalsContact O-N 3.15Å; E1287-S1302 VanDerWaalsContact CB-CB 3.48Å; E1287-S1302 WeakPolarHBondContact CB-OG 3.34Å; E1287-S1302 WeakPolarHBondContact O-CA 3.19Å; E1287-S1302 VanDerWaalsContact O-CB 3.31Å; E1287-S1302 WeakPolarHBondContact O-CB 3.37Å; E1287-R1303 PolarHBondContact O-N 2.91Å; E1287-R1303 IonicContact OE1-CZ 3.68Å; E1287-R1303 IonicContact OE1-NE 2.65Å; E1287-R1303 IonicContact OE1-NH1 3.25Å; E1287-R1303 PolarHBondContact OE1-NH1 3.06Å; E1287-R1303 IonicContact OE1-NH2 2.67Å; E1287-R1303 PolarHBondContact OE1-NH2 3.02Å; E1287-R1303 WeakPolarHBondContact OE2-CB 3.48Å; E1287-R1303 WeakPolarHBondContact OE2-CD 3.39Å; E1287-R1303 IonicContact OE2-CZ 3.26Å; E1287-R1303 VanDerWaalsContact OE2-CZ 3.26Å; E1287-R1303 PolarHBondContact OE2-N 3.11Å; E1287-R1303 IonicContact OE2-NE 3.27Å; E1287-R1303 PolarHBondContact OE2-NE 3.18Å; E1287-R1303 IonicContact OE2-NH1 3.91Å; E1287-R1303 PolarHBondContact OE2-NH1 3.25Å; E1287-R1303 IonicContact OE2-NH2 3.05Å; E1287-R1303 PolarHBondContact OE2-NH2 3.43Å; E1287-L1304 HydrophobicContact CB-CD1 4.44Å; E1287-L1304 HydrophobicContact CB-CD2 4.46Å; E1287-L1304 HydrophobicContact CB-CG 4.31Å; E1287-L1304 HydrophobicContact CG-CD1 3.93Å; E1287-L1304 HydrophobicContact CG-CG 4.48Å; E1287-W1375 HydrophobicContact CB-CZ2 3.97Å; E1287-W1375 HydrophobicContact CG-CH2 4.12Å; E1287-W1375 HydrophobicContact CG-CZ2 3.55Å; E1287-W1375 VanDerWaalsContact CG-CZ2 3.44Å |
| 1288 | V | 57 | Low | 60.6 | Low | 32.6 Ų | 32.6 | 62.8 Ų | 62.8 | 20% | 0.198 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -92.6 | -8.7 | -178.9 | -179 | 0 | 0 | 0 | 0 | 111.8 | F848 L1284 T1285 L1290 Q1301 Q1374 | F848-V1288 HydrophobicContact CE2-CG1 4.02Å; F848-V1288 HydrophobicContact CZ-CB 3.87Å; F848-V1288 HydrophobicContact CZ-CG1 3.74Å; L1284-V1288 VanDerWaalsContact O-CG2 3.28Å; L1284-V1288 WeakPolarHBondContact O-CG2 3.22Å; T1285-V1288 PolarHBondContact O-N 3.22Å; V1288-L1290 PolarHBondContact O-N 3.34Å; V1288-Q1301 CarbonylContact C-O 3.58Å; V1288-Q1301 VanDerWaalsContact C-O 3.23Å; V1288-Q1301 CarbonylContact O-C 3.45Å; V1288-Q1374 HydrophobicContact CG1-CB 4.26Å; V1288-Q1374 HydrophobicContact CG1-CG 4.47Å; V1288-Q1374 HydrophobicContact CG2-CB 4.13Å |
| 1289 | N | 51.2 | Low | 58.7 | Low | 89.4 Ų | 89.4 | 64.9 Ų | 64.9 | 48% | 0.478 | 36% | 0.355 | S | S | . | . | trans | -95.8 | 75.1 | -175.1 | -72.1 | -35.3 | 0 | 0 | 0 | 112.4 | T1285 S1286 E1287 G1291 L1300 | T1285-N1289 PolarHBondContact O-N 3.14Å; S1286-N1289 PolarHBondContact O-ND2 3.07Å; S1286-N1289 VanDerWaalsContact O-ND2 3.09Å; E1287-N1289 VanDerWaalsContact C-N 3.31Å; E1287-N1289 PolarHBondContact O-N 3.26Å; E1287-N1289 VanDerWaalsContact O-N 3.15Å; N1289-G1291 VanDerWaalsContact C-N 3.27Å; N1289-G1291 PolarHBondContact O-N 3.26Å; N1289-L1300 WeakPolarHBondContact O-CD1 3.37Å | ||
| 1290 | L | 43.2 | Very low | 56.8 | Low | 85.8 Ų | 85.8 | 68.4 Ų | 68.4 | 45% | 0.449 | 37% | 0.374 | S | S | . | . | trans | -69.1 | 100.9 | 169.2 | -84.4 | 124.5 | 0 | 0 | 0 | 110.6 | V1288 A1292 Q1301 R1303 | V1288-L1290 PolarHBondContact O-N 3.34Å; L1290-A1292 PolarHBondContact O-N 3.18Å; L1290-Q1301 PolarHBondContact N-O 3.24Å; L1290-R1303 HydrophobicContact CD1-CB 4.35Å; L1290-R1303 HydrophobicContact CD1-CG 3.69Å; L1290-R1303 HydrophobicContact CD2-CG 4.33Å | ||
| 1291 | G | 38.9 | Very low | 54.8 | Low | 43.8 Ų | 43.8 | 72.5 Ų | 72.5 | 45% | 0.452 | 39% | 0.394 | S | S | . | . | trans | -66.9 | 120.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1289 N1293 | N1289-G1291 VanDerWaalsContact C-N 3.27Å; N1289-G1291 PolarHBondContact O-N 3.26Å; G1291-N1293 PolarHBondContact O-N 3.32Å; G1291-N1293 VanDerWaalsContact O-N 3.07Å | ||
| 1292 | A | 39.7 | Very low | 53.3 | Low | 81.2 Ų | 81.2 | 67.2 Ų | 67.2 | 67% | 0.671 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 13.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1290 K1298 | L1290-A1292 PolarHBondContact O-N 3.18Å; A1292-K1298 WeakPolarHBondContact O-CE 3.42Å |
| 1293 | N | 39.5 | Very low | 52.2 | Low | 149.6 Ų | 149.6 | 68.6 Ų | 68.6 | 80% | 0.8 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | -9.6 | 178.9 | -80.7 | -8.8 | 0 | 0 | 0 | 115.4 | G1291 Q1295 | G1291-N1293 PolarHBondContact O-N 3.32Å; G1291-N1293 VanDerWaalsContact O-N 3.07Å; N1293-Q1295 PolarHBondContact O-N 3.18Å |
| 1294 | D | 40.6 | Very low | 51 | Low | 100.8 Ų | 100.8 | 68.9 Ų | 68.9 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | trans | -90.4 | 112.7 | 174.5 | -75.3 | -24.7 | 0 | 0 | 0 | 110.3 | R1228 H1296 G1297 K1298 | R1228-D1294 IonicContact NH1-OD2 3.39Å; R1228-D1294 PolarHBondContact NH1-OD2 3.06Å; D1294-H1296 CarbonylContact C-O 3.59Å; D1294-H1296 CarbonylContact O-C 3.43Å; D1294-H1296 PolarHBondContact O-N 3.18Å; D1294-G1297 CarbonylContact O-C 3.57Å; D1294-G1297 WeakPolarHBondContact O-CA 3.39Å; D1294-G1297 PolarHBondContact O-N 3.25Å; D1294-K1298 PolarHBondContact O-N 3.19Å | ||
| 1295 | Q | 42.8 | Very low | 49.8 | Very low | 159.2 Ų | 159.2 | 72.5 Ų | 72.5 | 74% | 0.744 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.3 | 173.2 | -69.7 | -178.3 | -10.1 | 0 | 0 | 112.9 | N1293 G1297 | N1293-Q1295 PolarHBondContact O-N 3.18Å; Q1295-G1297 PolarHBondContact O-N 3.03Å |
| 1296 | H | 39.7 | Very low | 49 | Very low | 116.4 Ų | 116.4 | 71.4 Ų | 71.4 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -84.7 | 63.5 | 169.9 | -64.2 | 48.6 | 0 | 0 | 0 | 109.6 | D1294 K1298 I1299 L1300 | D1294-H1296 CarbonylContact C-O 3.59Å; D1294-H1296 CarbonylContact O-C 3.43Å; D1294-H1296 PolarHBondContact O-N 3.18Å; H1296-K1298 VanDerWaalsContact C-N 3.28Å; H1296-K1298 HydrophobicContact CB-CG 4.42Å; H1296-K1298 PolarHBondContact O-N 3.32Å; H1296-I1299 PolarHBondContact O-N 3.34Å; H1296-L1300 PolarHBondContact O-N 2.87Å |
| 1297 | G | 39.5 | Very low | 48.6 | Very low | 49.4 Ų | 49.4 | 71.2 Ų | 71.2 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | trans | -64.4 | 21.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1294 Q1295 I1299 L1300 | D1294-G1297 CarbonylContact O-C 3.57Å; D1294-G1297 WeakPolarHBondContact O-CA 3.39Å; D1294-G1297 PolarHBondContact O-N 3.25Å; Q1295-G1297 PolarHBondContact O-N 3.03Å; G1297-I1299 VanDerWaalsContact C-N 3.33Å; G1297-I1299 PolarHBondContact O-N 3.33Å; G1297-I1299 VanDerWaalsContact O-N 3.11Å; G1297-L1300 CarbonylContact O-C 3.57Å | ||
| 1298 | K | 40.5 | Very low | 48.5 | Very low | 146 Ų | 146 | 71.7 Ų | 71.7 | 64% | 0.635 | 39% | 0.391 | S | S | * | . | trans | -69.5 | 52.5 | 163.1 | -74 | -177.4 | -179.9 | 176.8 | 0 | 108.9 | A1292 D1294 H1296 L1300 V2047 | A1292-K1298 WeakPolarHBondContact O-CE 3.42Å; D1294-K1298 PolarHBondContact O-N 3.19Å; H1296-K1298 VanDerWaalsContact C-N 3.28Å; H1296-K1298 HydrophobicContact CB-CG 4.42Å; H1296-K1298 PolarHBondContact O-N 3.32Å; K1298-L1300 PolarHBondContact O-N 2.86Å; K1298-V2047 HydrophobicContact CB-CG2 4.29Å | ||
| 1299 | I | 42.8 | Very low | 48.7 | Very low | 88 Ų | 88 | 72.8 Ų | 72.8 | 45% | 0.451 | 40% | 0.399 | S | S | . | . | trans | -50.6 | 85.3 | 168.6 | -60.6 | 151.2 | 0 | 0 | 0 | 108.9 | H1296 G1297 Q1301 L2040 S2043 L2044 V2047 I2068 | H1296-I1299 PolarHBondContact O-N 3.34Å; G1297-I1299 VanDerWaalsContact C-N 3.33Å; G1297-I1299 PolarHBondContact O-N 3.33Å; G1297-I1299 VanDerWaalsContact O-N 3.11Å; I1299-Q1301 VanDerWaalsContact C-N 3.27Å; I1299-Q1301 WeakPolarHBondContact O-CG 3.39Å; I1299-Q1301 PolarHBondContact O-N 2.98Å; I1299-L2040 HydrophobicContact CG2-CD1 4.26Å; I1299-S2043 PolarHBondContact O-OG 3.44Å; I1299-L2044 HydrophobicContact CG2-CD1 4.49Å; I1299-V2047 HydrophobicContact CB-CG2 4.33Å; I1299-V2047 HydrophobicContact CD1-CG1 4.13Å; I1299-V2047 HydrophobicContact CG1-CB 3.87Å; I1299-V2047 HydrophobicContact CG1-CG1 3.66Å; I1299-V2047 HydrophobicContact CG1-CG2 3.49Å; I1299-V2047 VanDerWaalsContact CG1-CG2 3.49Å; I1299-I2068 HydrophobicContact CD1-CB 4.04Å; I1299-I2068 HydrophobicContact CD1-CD1 3.59Å; I1299-I2068 HydrophobicContact CD1-CG1 3.55Å; I1299-I2068 HydrophobicContact CD1-CG2 3.3Å; I1299-I2068 HydrophobicContact CG1-CG2 3.79Å; I1299-I2068 HydrophobicContact CG2-CG2 4.32Å | ||
| 1300 | L | 44 | Very low | 49 | Very low | 75.2 Ų | 75.2 | 69.5 Ų | 69.5 | 39% | 0.394 | 38% | 0.382 | S | S | . | . | trans | -73.5 | 83.8 | 179.8 | -71 | 153.5 | 0 | 0 | 0 | 108.5 | I1251 N1289 H1296 G1297 K1298 S1302 W1305 L2040 L2075 | I1251-L1300 HydrophobicContact CD1-CD1 3.36Å; I1251-L1300 HydrophobicContact CD1-CD2 3.89Å; I1251-L1300 HydrophobicContact CD1-CG 4.12Å; N1289-L1300 WeakPolarHBondContact O-CD1 3.37Å; H1296-L1300 PolarHBondContact O-N 2.87Å; G1297-L1300 CarbonylContact O-C 3.57Å; K1298-L1300 PolarHBondContact O-N 2.86Å; L1300-S1302 PolarHBondContact O-N 3.08Å; L1300-W1305 HydrophobicContact CD2-CB 4.21Å; L1300-W1305 HydrophobicContact CD2-CG 4.19Å; L1300-L2040 HydrophobicContact CD2-CD1 3.73Å; L1300-L2040 HydrophobicContact CG-CD1 4.45Å; L1300-L2075 HydrophobicContact CD2-CD1 3.74Å | ||
| 1301 | Q | 47.1 | Very low | 49.8 | Very low | 110 Ų | 110 | 66.1 Ų | 66.1 | 51% | 0.514 | 36% | 0.364 | S | S | . | . | trans | -61.9 | 61.3 | 175.5 | -71.8 | 176.4 | -0.2 | 0 | 0 | 108.3 | V1288 L1290 I1299 R1303 W1305 E2039 | V1288-Q1301 CarbonylContact C-O 3.58Å; V1288-Q1301 VanDerWaalsContact C-O 3.23Å; V1288-Q1301 CarbonylContact O-C 3.45Å; L1290-Q1301 PolarHBondContact N-O 3.24Å; I1299-Q1301 VanDerWaalsContact C-N 3.27Å; I1299-Q1301 WeakPolarHBondContact O-CG 3.39Å; I1299-Q1301 PolarHBondContact O-N 2.98Å; Q1301-R1303 PolarHBondContact O-N 3.38Å; Q1301-W1305 VanDerWaalsContact C-NE1 3.28Å; Q1301-W1305 VanDerWaalsContact CA-NE1 3.3Å; Q1301-W1305 VanDerWaalsContact CB-CD1 3.43Å; Q1301-W1305 HydrophobicContact CB-CG 4.36Å; Q1301-E2039 PolarHBondContact OE1-OE1 2.93Å | ||
| 1302 | S | 54.1 | Low | 50.8 | Low | 7.6 Ų | 7.6 | 67.2 Ų | 67.2 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | trans | -74.4 | 138.1 | 171.7 | 82.3 | 0 | 0 | 0 | 0 | 112.9 | E1287 L1300 L1304 W1305 N1378 | E1287-S1302 VanDerWaalsContact CB-CB 3.48Å; E1287-S1302 WeakPolarHBondContact CB-OG 3.34Å; E1287-S1302 WeakPolarHBondContact O-CA 3.19Å; E1287-S1302 VanDerWaalsContact O-CB 3.31Å; E1287-S1302 WeakPolarHBondContact O-CB 3.37Å; L1300-S1302 PolarHBondContact O-N 3.08Å; S1302-L1304 PolarHBondContact O-N 3.21Å; S1302-W1305 VanDerWaalsContact C-CD1 3.49Å; S1302-W1305 VanDerWaalsContact CA-CD1 3.45Å; S1302-W1305 VanDerWaalsContact O-CB 3.26Å; S1302-W1305 WeakPolarHBondContact O-CB 3.4Å; S1302-W1305 VanDerWaalsContact O-CD1 3.32Å; S1302-W1305 PolarHBondContact O-N 3.2Å; S1302-W1305 PolarHBondContact OG-NE1 3.09Å; S1302-W1305 VanDerWaalsContact OG-NE1 3.12Å; S1302-N1378 VanDerWaalsContact CB-ND2 3.34Å; S1302-N1378 WeakPolarHBondContact CB-ND2 3.42Å; S1302-N1378 VanDerWaalsContact OG-CG 3.32Å; S1302-N1378 PolarHBondContact OG-ND2 3.38Å; S1302-N1378 PolarHBondContact OG-OD1 3.45Å | ||
| 1303 | R | 59.5 | Low | 51.7 | Low | 44.6 Ų | 44.6 | 68.5 Ų | 68.5 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -65.9 | -19.4 | -177 | -88.5 | 177.7 | -123.8 | 166.5 | 0.3 | 113.1 | R1246 F1250 S1286 E1287 L1290 Q1301 W1305 G1306 | R1246-R1303 PolarHBondContact O-NH1 2.79Å; R1246-R1303 PolarHBondContact O-NH2 3.04Å; F1250-R1303 HydrophobicContact CD2-CG 3.95Å; F1250-R1303 HydrophobicContact CE2-CG 4.09Å; S1286-R1303 PolarHBondContact O-NH2 3.18Å; E1287-R1303 PolarHBondContact O-N 2.91Å; E1287-R1303 IonicContact OE1-CZ 3.68Å; E1287-R1303 IonicContact OE1-NE 2.65Å; E1287-R1303 IonicContact OE1-NH1 3.25Å; E1287-R1303 PolarHBondContact OE1-NH1 3.06Å; E1287-R1303 IonicContact OE1-NH2 2.67Å; E1287-R1303 PolarHBondContact OE1-NH2 3.02Å; E1287-R1303 WeakPolarHBondContact OE2-CB 3.48Å; E1287-R1303 WeakPolarHBondContact OE2-CD 3.39Å; E1287-R1303 IonicContact OE2-CZ 3.26Å; E1287-R1303 VanDerWaalsContact OE2-CZ 3.26Å; E1287-R1303 PolarHBondContact OE2-N 3.11Å; E1287-R1303 IonicContact OE2-NE 3.27Å; E1287-R1303 PolarHBondContact OE2-NE 3.18Å; E1287-R1303 IonicContact OE2-NH1 3.91Å; E1287-R1303 PolarHBondContact OE2-NH1 3.25Å; E1287-R1303 IonicContact OE2-NH2 3.05Å; E1287-R1303 PolarHBondContact OE2-NH2 3.43Å; L1290-R1303 HydrophobicContact CD1-CB 4.35Å; L1290-R1303 HydrophobicContact CD1-CG 3.69Å; L1290-R1303 HydrophobicContact CD2-CG 4.33Å; Q1301-R1303 PolarHBondContact O-N 3.38Å; R1303-W1305 VanDerWaalsContact C-N 3.3Å; R1303-W1305 PolarHBondContact O-N 3.25Å; R1303-W1305 VanDerWaalsContact O-N 3.17Å; R1303-G1306 PolarHBondContact O-N 3.08Å |
| 1304 | L | 58.7 | Low | 52.5 | Low | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -73.5 | -16.3 | 179.4 | -73.1 | 169.2 | 0 | 0 | 0 | 114.4 | W1268 E1287 S1302 G1306 L1307 W1375 N1378 | W1268-L1304 HydrophobicContact CD2-CD1 4.06Å; W1268-L1304 HydrophobicContact CD2-CD2 4.05Å; W1268-L1304 HydrophobicContact CE3-CD1 4.36Å; W1268-L1304 HydrophobicContact CE3-CD2 4.01Å; W1268-L1304 HydrophobicContact CH2-CD1 3.55Å; W1268-L1304 VanDerWaalsContact CH2-CD1 3.42Å; W1268-L1304 HydrophobicContact CH2-CD2 3.68Å; W1268-L1304 HydrophobicContact CH2-CG 3.46Å; W1268-L1304 VanDerWaalsContact CH2-CG 3.4Å; W1268-L1304 HydrophobicContact CZ2-CD1 3.1Å; W1268-L1304 HydrophobicContact CZ2-CD2 3.65Å; W1268-L1304 VanDerWaalsContact CZ2-CD2 3.42Å; W1268-L1304 HydrophobicContact CZ2-CG 3.52Å; W1268-L1304 VanDerWaalsContact CZ2-CG 3.42Å; W1268-L1304 HydrophobicContact CZ3-CD1 4.11Å; W1268-L1304 HydrophobicContact CZ3-CD2 3.78Å; W1268-L1304 HydrophobicContact CZ3-CG 4.07Å; E1287-L1304 HydrophobicContact CB-CD1 4.44Å; E1287-L1304 HydrophobicContact CB-CD2 4.46Å; E1287-L1304 HydrophobicContact CB-CG 4.31Å; E1287-L1304 HydrophobicContact CG-CD1 3.93Å; E1287-L1304 HydrophobicContact CG-CG 4.48Å; S1302-L1304 PolarHBondContact O-N 3.21Å; L1304-G1306 VanDerWaalsContact C-N 3.27Å; L1304-G1306 PolarHBondContact O-N 3.06Å; L1304-G1306 VanDerWaalsContact O-N 3.13Å; L1304-L1307 HydrophobicContact CB-CD1 4.44Å; L1304-L1307 HydrophobicContact CD1-CD1 4.45Å; L1304-L1307 HydrophobicContact CD2-CD1 3.65Å; L1304-L1307 VanDerWaalsContact CD2-CD1 3.47Å; L1304-L1307 HydrophobicContact CD2-CG 3.87Å; L1304-L1307 HydrophobicContact CG-CD1 4.24Å; L1304-L1307 WeakPolarHBondContact O-CB 3.31Å; L1304-L1307 PolarHBondContact O-N 3.24Å; L1304-L1307 VanDerWaalsContact O-N 3.08Å; L1304-W1375 HydrophobicContact CB-CH2 3.84Å; L1304-W1375 HydrophobicContact CB-CZ3 4.19Å; L1304-W1375 HydrophobicContact CD1-CB 4.4Å; L1304-W1375 HydrophobicContact CD1-CD2 3.54Å; L1304-W1375 HydrophobicContact CD1-CE3 3.73Å; L1304-W1375 VanDerWaalsContact CD1-CE3 3.47Å; L1304-W1375 HydrophobicContact CD1-CG 3.92Å; L1304-W1375 HydrophobicContact CD1-CH2 3.58Å; L1304-W1375 VanDerWaalsContact CD1-CH2 3.48Å; L1304-W1375 HydrophobicContact CD1-CZ2 4.29Å; L1304-W1375 HydrophobicContact CD1-CZ3 4.06Å; L1304-W1375 VanDerWaalsContact CD1-CZ3 3.5Å; L1304-W1375 HydrophobicContact CD2-CD2 4.39Å; L1304-W1375 HydrophobicContact CD2-CE3 4.02Å; L1304-W1375 HydrophobicContact CD2-CH2 4.07Å; L1304-W1375 HydrophobicContact CD2-CZ2 4.27Å; L1304-W1375 HydrophobicContact CD2-CZ3 3.87Å; L1304-W1375 HydrophobicContact CG-CH2 4.17Å; L1304-W1375 HydrophobicContact CG-CZ3 4.43Å; L1304-N1378 HydrophobicContact CB-CB 4.09Å; L1304-N1378 HydrophobicContact CD1-CB 4.14Å |
| 1305 | W | 58.1 | Low | 53.2 | Low | 76.6 Ų | 76.6 | 59.9 Ų | 59.9 | 29% | 0.29 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -62.9 | -2 | 178 | -85.4 | 76.3 | 0 | 0 | 0 | 112.8 | I1251 L1300 Q1301 S1302 R1303 L1307 P1308 N1378 S2036 L2040 L2075 L2076 | I1251-W1305 HydrophobicContact CD1-CB 4.37Å; L1300-W1305 HydrophobicContact CD2-CB 4.21Å; L1300-W1305 HydrophobicContact CD2-CG 4.19Å; Q1301-W1305 VanDerWaalsContact C-NE1 3.28Å; Q1301-W1305 VanDerWaalsContact CA-NE1 3.3Å; Q1301-W1305 VanDerWaalsContact CB-CD1 3.43Å; Q1301-W1305 HydrophobicContact CB-CG 4.36Å; S1302-W1305 VanDerWaalsContact C-CD1 3.49Å; S1302-W1305 VanDerWaalsContact CA-CD1 3.45Å; S1302-W1305 VanDerWaalsContact O-CB 3.26Å; S1302-W1305 WeakPolarHBondContact O-CB 3.4Å; S1302-W1305 VanDerWaalsContact O-CD1 3.32Å; S1302-W1305 PolarHBondContact O-N 3.2Å; S1302-W1305 PolarHBondContact OG-NE1 3.09Å; S1302-W1305 VanDerWaalsContact OG-NE1 3.12Å; R1303-W1305 VanDerWaalsContact C-N 3.3Å; R1303-W1305 PolarHBondContact O-N 3.25Å; R1303-W1305 VanDerWaalsContact O-N 3.17Å; W1305-L1307 VanDerWaalsContact C-N 3.32Å; W1305-L1307 PolarHBondContact O-N 2.93Å; W1305-P1308 WeakPolarHBondContact O-CD 3.33Å; W1305-N1378 HydrophobicContact CD2-CB 4Å; W1305-N1378 HydrophobicContact CE3-CB 3.85Å; W1305-N1378 HydrophobicContact CG-CB 4.39Å; W1305-N1378 HydrophobicContact CH2-CB 4.27Å; W1305-N1378 WeakPolarHBondContact CH2-ND2 3.33Å; W1305-N1378 WeakPolarHBondContact CH2-OD1 3.33Å; W1305-N1378 WeakPolarHBondContact CZ2-ND2 3.39Å; W1305-N1378 HydrophobicContact CZ3-CB 4.28Å; W1305-N1378 WeakPolarHBondContact CZ3-ND2 3.47Å; W1305-N1378 WeakPolarHBondContact CZ3-OD1 3.46Å; W1305-S2036 WeakPolarHBondContact CH2-O 3.41Å; W1305-S2036 VanDerWaalsContact CZ2-O 3.28Å; W1305-S2036 WeakPolarHBondContact CZ2-O 3.43Å; W1305-L2040 HydrophobicContact CD2-CD2 4.35Å; W1305-L2040 HydrophobicContact CE3-CD2 3.76Å; W1305-L2040 HydrophobicContact CH2-CB 3.47Å; W1305-L2040 VanDerWaalsContact CH2-CB 3.47Å; W1305-L2040 HydrophobicContact CH2-CD2 3.58Å; W1305-L2040 HydrophobicContact CH2-CG 4.09Å; W1305-L2040 HydrophobicContact CZ2-CB 3.66Å; W1305-L2040 HydrophobicContact CZ2-CD2 4.23Å; W1305-L2040 HydrophobicContact CZ2-CG 4.4Å; W1305-L2040 HydrophobicContact CZ3-CB 4.15Å; W1305-L2040 HydrophobicContact CZ3-CD2 3.29Å; W1305-L2040 HydrophobicContact CZ3-CG 4.28Å; W1305-L2075 HydrophobicContact CB-CD1 4.35Å; W1305-L2075 WeakPolarHBondContact O-CD2 3.45Å; W1305-L2076 HydrophobicContact CZ3-CD2 4.46Å |
| 1306 | G | 58.5 | Low | 53.7 | Low | 6 Ų | 6 | 55.5 Ų | 55.5 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -85.3 | -15.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1303 L1304 P1308 S1309 L1310 | R1303-G1306 PolarHBondContact O-N 3.08Å; L1304-G1306 VanDerWaalsContact C-N 3.27Å; L1304-G1306 PolarHBondContact O-N 3.06Å; L1304-G1306 VanDerWaalsContact O-N 3.13Å; G1306-P1308 VanDerWaalsContact C-CD 3.45Å; G1306-P1308 VanDerWaalsContact C-N 3.3Å; G1306-S1309 WeakPolarHBondContact CA-OG 3.4Å; G1306-S1309 WeakPolarHBondContact O-CB 3.29Å; G1306-S1309 PolarHBondContact O-N 3.19Å; G1306-S1309 PolarHBondContact O-OG 3.12Å; G1306-L1310 VanDerWaalsContact O-CB 3.31Å; G1306-L1310 WeakPolarHBondContact O-CB 3.38Å; G1306-L1310 WeakPolarHBondContact O-CD1 3.29Å; G1306-L1310 WeakPolarHBondContact O-CG 3.46Å; G1306-L1310 PolarHBondContact O-N 3.27Å |
| 1307 | L | 62.7 | Low | 54.3 | Low | 13.2 Ų | 13.2 | 53 Ų | 53 | 7% | 0.069 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -42.1 | -178.5 | -95.9 | 152.9 | 0 | 0 | 0 | 113.7 | F1261 L1265 W1268 L1304 W1305 S1309 L1310 L1311 L1349 L1379 | F1261-L1307 HydrophobicContact CD1-CD2 4.39Å; L1265-L1307 HydrophobicContact CD2-CD2 4.2Å; W1268-L1307 HydrophobicContact CZ3-CD1 3.92Å; W1268-L1307 HydrophobicContact CZ3-CD2 4.17Å; W1268-L1307 HydrophobicContact CZ3-CG 4.4Å; L1304-L1307 HydrophobicContact CB-CD1 4.44Å; L1304-L1307 HydrophobicContact CD1-CD1 4.45Å; L1304-L1307 HydrophobicContact CD2-CD1 3.65Å; L1304-L1307 VanDerWaalsContact CD2-CD1 3.47Å; L1304-L1307 HydrophobicContact CD2-CG 3.87Å; L1304-L1307 HydrophobicContact CG-CD1 4.24Å; L1304-L1307 WeakPolarHBondContact O-CB 3.31Å; L1304-L1307 PolarHBondContact O-N 3.24Å; L1304-L1307 VanDerWaalsContact O-N 3.08Å; W1305-L1307 VanDerWaalsContact C-N 3.32Å; W1305-L1307 PolarHBondContact O-N 2.93Å; L1307-S1309 PolarHBondContact O-N 3.19Å; L1307-L1310 HydrophobicContact CD2-CD1 3.78Å; L1307-L1310 CarbonylContact O-C 3.54Å; L1307-L1310 VanDerWaalsContact O-CB 3.29Å; L1307-L1310 WeakPolarHBondContact O-CB 3.32Å; L1307-L1310 PolarHBondContact O-N 3.27Å; L1307-L1311 WeakPolarHBondContact O-CB 3.31Å; L1307-L1311 WeakPolarHBondContact O-CD1 3.49Å; L1307-L1311 VanDerWaalsContact O-CG 3.27Å; L1307-L1311 WeakPolarHBondContact O-CG 3.29Å; L1307-L1311 PolarHBondContact O-N 3.06Å; L1307-L1349 HydrophobicContact CB-CD1 4.36Å; L1307-L1349 HydrophobicContact CD2-CD1 4.06Å; L1307-L1349 HydrophobicContact CD2-CG 4.49Å; L1307-L1349 HydrophobicContact CG-CD1 4.39Å; L1307-L1379 HydrophobicContact CB-CD1 4.26Å; L1307-L1379 HydrophobicContact CD1-CD1 3.87Å; L1307-L1379 HydrophobicContact CD2-CD1 3.66Å |
| 1308 | P | 60.5 | Low | 54.7 | Low | 24.2 Ų | 24.2 | 53.7 Ų | 53.7 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 175.8 | -23.6 | 34.1 | 0 | 0 | 0 | 113.2 | W1305 G1306 L1310 L1311 D1312 N1378 L1379 V1382 R2079 | W1305-P1308 WeakPolarHBondContact O-CD 3.33Å; G1306-P1308 VanDerWaalsContact C-CD 3.45Å; G1306-P1308 VanDerWaalsContact C-N 3.3Å; P1308-L1310 VanDerWaalsContact C-N 3.3Å; P1308-L1310 PolarHBondContact O-N 3.01Å; P1308-L1311 VanDerWaalsContact O-CB 3.31Å; P1308-L1311 WeakPolarHBondContact O-CB 3.39Å; P1308-L1311 PolarHBondContact O-N 3.12Å; P1308-L1311 VanDerWaalsContact O-N 3.13Å; P1308-D1312 WeakPolarHBondContact O-CB 3.47Å; P1308-D1312 PolarHBondContact O-N 3.07Å; P1308-N1378 WeakPolarHBondContact CG-O 3.36Å; P1308-L1379 VanDerWaalsContact CG-O 3.23Å; P1308-L1379 WeakPolarHBondContact CG-O 3.37Å; P1308-V1382 HydrophobicContact CG-CG2 4.46Å; P1308-R2079 HydrophobicContact CB-CG 4.12Å; P1308-R2079 HydrophobicContact CG-CG 4.12Å |
| 1309 | S | 60.7 | Low | 54.7 | Low | 54 Ų | 54 | 54.9 Ų | 54.9 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.9 | -28.6 | 178 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | G1306 L1307 R1313 | G1306-S1309 WeakPolarHBondContact CA-OG 3.4Å; G1306-S1309 WeakPolarHBondContact O-CB 3.29Å; G1306-S1309 PolarHBondContact O-N 3.19Å; G1306-S1309 PolarHBondContact O-OG 3.12Å; L1307-S1309 PolarHBondContact O-N 3.19Å; S1309-R1313 VanDerWaalsContact O-CB 3.3Å; S1309-R1313 WeakPolarHBondContact O-CB 3.35Å; S1309-R1313 WeakPolarHBondContact O-CG 3.43Å; S1309-R1313 PolarHBondContact O-N 3.13Å |
| 1310 | L | 58.8 | Low | 54.3 | Low | 20.4 Ų | 20.4 | 53.6 Ų | 53.6 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74.7 | -36.2 | 172.5 | -61.5 | 175.3 | 0 | 0 | 0 | 112.7 | F1250 F1261 G1306 L1307 P1308 D1312 R1313 S1314 | F1250-L1310 HydrophobicContact CB-CD1 3.93Å; F1250-L1310 HydrophobicContact CB-CD2 4.15Å; F1250-L1310 HydrophobicContact CD1-CD1 3.96Å; F1250-L1310 HydrophobicContact CG-CD1 4.2Å; F1250-L1310 WeakPolarHBondContact O-CD1 3.3Å; F1261-L1310 HydrophobicContact CB-CD1 4.07Å; F1261-L1310 HydrophobicContact CD1-CD1 3.54Å; F1261-L1310 HydrophobicContact CD1-CD2 4.27Å; F1261-L1310 HydrophobicContact CD1-CG 4.19Å; F1261-L1310 HydrophobicContact CD2-CD1 3.78Å; F1261-L1310 HydrophobicContact CD2-CD2 3.58Å; F1261-L1310 VanDerWaalsContact CD2-CD2 3.45Å; F1261-L1310 HydrophobicContact CD2-CG 4.26Å; F1261-L1310 HydrophobicContact CE1-CD1 3.54Å; F1261-L1310 HydrophobicContact CE1-CD2 3.95Å; F1261-L1310 HydrophobicContact CE1-CG 4.09Å; F1261-L1310 HydrophobicContact CE2-CD1 3.94Å; F1261-L1310 HydrophobicContact CE2-CD2 3.14Å; F1261-L1310 HydrophobicContact CE2-CG 4.08Å; F1261-L1310 HydrophobicContact CG-CD1 3.35Å; F1261-L1310 HydrophobicContact CG-CD2 4.12Å; F1261-L1310 HydrophobicContact CG-CG 4.3Å; F1261-L1310 HydrophobicContact CZ-CD1 3.82Å; F1261-L1310 HydrophobicContact CZ-CD2 3.62Å; F1261-L1310 HydrophobicContact CZ-CG 3.9Å; G1306-L1310 VanDerWaalsContact O-CB 3.31Å; G1306-L1310 WeakPolarHBondContact O-CB 3.38Å; G1306-L1310 WeakPolarHBondContact O-CD1 3.29Å; G1306-L1310 WeakPolarHBondContact O-CG 3.46Å; G1306-L1310 PolarHBondContact O-N 3.27Å; L1307-L1310 HydrophobicContact CD2-CD1 3.78Å; L1307-L1310 CarbonylContact O-C 3.54Å; L1307-L1310 VanDerWaalsContact O-CB 3.29Å; L1307-L1310 WeakPolarHBondContact O-CB 3.32Å; L1307-L1310 PolarHBondContact O-N 3.27Å; P1308-L1310 VanDerWaalsContact C-N 3.3Å; P1308-L1310 PolarHBondContact O-N 3.01Å; L1310-D1312 VanDerWaalsContact C-N 3.32Å; L1310-R1313 CarbonylContact O-C 3.59Å; L1310-R1313 PolarHBondContact O-N 3.15Å; L1310-S1314 WeakPolarHBondContact O-CB 3.36Å; L1310-S1314 PolarHBondContact O-N 3.29Å; L1310-S1314 PolarHBondContact O-OG 3.39Å |
| 1311 | L | 59.4 | Low | 53.7 | Low | 14.2 Ų | 14.2 | 52.5 Ų | 52.5 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 172.2 | -87.3 | 146.1 | 0 | 0 | 0 | 109.6 | L1307 P1308 R1313 S1314 I1315 T1346 L1349 V1382 V2082 | L1307-L1311 WeakPolarHBondContact O-CB 3.31Å; L1307-L1311 WeakPolarHBondContact O-CD1 3.49Å; L1307-L1311 VanDerWaalsContact O-CG 3.27Å; L1307-L1311 WeakPolarHBondContact O-CG 3.29Å; L1307-L1311 PolarHBondContact O-N 3.06Å; P1308-L1311 VanDerWaalsContact O-CB 3.31Å; P1308-L1311 WeakPolarHBondContact O-CB 3.39Å; P1308-L1311 PolarHBondContact O-N 3.12Å; P1308-L1311 VanDerWaalsContact O-N 3.13Å; L1311-R1313 VanDerWaalsContact C-N 3.27Å; L1311-R1313 PolarHBondContact O-N 3.35Å; L1311-S1314 PolarHBondContact O-N 3.01Å; L1311-S1314 VanDerWaalsContact O-N 3.11Å; L1311-S1314 PolarHBondContact O-OG 3.14Å; L1311-I1315 HydrophobicContact CB-CD1 4.18Å; L1311-I1315 HydrophobicContact CD2-CD1 3.74Å; L1311-I1315 HydrophobicContact CG-CD1 4.02Å; L1311-I1315 VanDerWaalsContact O-CB 3.26Å; L1311-I1315 WeakPolarHBondContact O-CB 3.37Å; L1311-I1315 VanDerWaalsContact O-CD1 3.27Å; L1311-I1315 WeakPolarHBondContact O-CD1 3.39Å; L1311-I1315 WeakPolarHBondContact O-CG1 3.25Å; L1311-I1315 PolarHBondContact O-N 3.13Å; L1311-T1346 HydrophobicContact CD2-CG2 3.85Å; L1311-L1349 HydrophobicContact CD1-CD1 3.83Å; L1311-L1349 HydrophobicContact CD1-CD2 3.83Å; L1311-L1349 HydrophobicContact CD1-CG 4.26Å; L1311-L1349 HydrophobicContact CD2-CD1 4.1Å; L1311-L1349 HydrophobicContact CD2-CD2 3.99Å; L1311-L1349 HydrophobicContact CG-CD1 4.15Å; L1311-L1349 HydrophobicContact CG-CD2 3.5Å; L1311-L1349 VanDerWaalsContact CG-CD2 3.44Å; L1311-V1382 HydrophobicContact CD1-CB 4.45Å; L1311-V1382 HydrophobicContact CD1-CG1 3.97Å; L1311-V1382 HydrophobicContact CD1-CG2 3.77Å; L1311-V1382 HydrophobicContact CD2-CB 4.24Å; L1311-V1382 HydrophobicContact CD2-CG1 3.49Å; L1311-V1382 VanDerWaalsContact CD2-CG1 3.47Å; L1311-V1382 HydrophobicContact CD2-CG2 3.89Å; L1311-V2082 HydrophobicContact CB-CG1 4.25Å; L1311-V2082 HydrophobicContact CB-CG2 4.35Å; L1311-V2082 HydrophobicContact CD1-CG1 4.1Å |
| 1312 | D | 60.7 | Low | 52.8 | Low | 66.6 Ų | 66.6 | 55.5 Ų | 55.5 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 177.9 | -132.1 | 18.9 | 0 | 0 | 0 | 111.8 | P1308 L1310 I1315 S1316 K1386 R2081 V2082 | P1308-D1312 WeakPolarHBondContact O-CB 3.47Å; P1308-D1312 PolarHBondContact O-N 3.07Å; L1310-D1312 VanDerWaalsContact C-N 3.32Å; D1312-I1315 PolarHBondContact O-N 2.81Å; D1312-S1316 VanDerWaalsContact O-CB 3.25Å; D1312-S1316 WeakPolarHBondContact O-CB 3.26Å; D1312-S1316 PolarHBondContact O-N 2.92Å; D1312-S1316 VanDerWaalsContact O-N 3.09Å; D1312-S1316 PolarHBondContact O-OG 3.18Å; D1312-K1386 IonicContact OD1-NZ 2.85Å; D1312-K1386 PolarHBondContact OD1-NZ 3.3Å; D1312-R2081 IonicContact OD2-NH1 3.28Å; D1312-V2082 HydrophobicContact CB-CG2 3.89Å |
| 1313 | R | 58.6 | Low | 51.9 | Low | 110 Ų | 110 | 62.5 Ų | 62.5 | 42% | 0.415 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.2 | -45.8 | 176.1 | -150.7 | -178.5 | -130.6 | -162.2 | 0.1 | 113.5 | S1253 V1254 S1256 S1309 L1310 L1311 I1315 S1316 S1317 | S1253-R1313 PolarHBondContact O-NH1 2.84Å; S1253-R1313 PolarHBondContact O-NH2 3.25Å; S1253-R1313 VanDerWaalsContact O-NH2 3.16Å; V1254-R1313 PolarHBondContact O-NH1 2.93Å; V1254-R1313 VanDerWaalsContact O-NH1 3.15Å; V1254-R1313 PolarHBondContact O-NH2 3.27Å; S1256-R1313 PolarHBondContact O-NH1 3.47Å; S1256-R1313 VanDerWaalsContact O-NH1 3.09Å; S1256-R1313 PolarHBondContact OG-NH1 3.35Å; S1309-R1313 VanDerWaalsContact O-CB 3.3Å; S1309-R1313 WeakPolarHBondContact O-CB 3.35Å; S1309-R1313 WeakPolarHBondContact O-CG 3.43Å; S1309-R1313 PolarHBondContact O-N 3.13Å; L1310-R1313 CarbonylContact O-C 3.59Å; L1310-R1313 PolarHBondContact O-N 3.15Å; L1311-R1313 VanDerWaalsContact C-N 3.27Å; L1311-R1313 PolarHBondContact O-N 3.35Å; R1313-I1315 VanDerWaalsContact C-N 3.27Å; R1313-I1315 PolarHBondContact O-N 3.18Å; R1313-S1316 WeakPolarHBondContact CA-OG 3.31Å; R1313-S1316 CarbonylContact O-C 3.45Å; R1313-S1316 PolarHBondContact O-N 3.19Å; R1313-S1316 VanDerWaalsContact O-N 3.08Å; R1313-S1316 PolarHBondContact O-OG 3.14Å; R1313-S1317 WeakPolarHBondContact O-CB 3.34Å; R1313-S1317 PolarHBondContact O-N 3.33Å; R1313-S1317 PolarHBondContact O-OG 3.23Å |
| 1314 | S | 55.9 | Low | 50.4 | Low | 31.6 Ų | 31.6 | 71.6 Ų | 71.6 | 22% | 0.221 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 177.6 | -20.8 | 0 | 0 | 0 | 0 | 111.3 | E1258 L1310 L1311 S1316 S1317 A1318 F1342 | E1258-S1314 PolarHBondContact OE1-OG 3.27Å; L1310-S1314 WeakPolarHBondContact O-CB 3.36Å; L1310-S1314 PolarHBondContact O-N 3.29Å; L1310-S1314 PolarHBondContact O-OG 3.39Å; L1311-S1314 PolarHBondContact O-N 3.01Å; L1311-S1314 VanDerWaalsContact O-N 3.11Å; L1311-S1314 PolarHBondContact O-OG 3.14Å; S1314-S1316 VanDerWaalsContact C-N 3.35Å; S1314-S1317 WeakPolarHBondContact CA-OG 3.48Å; S1314-S1317 WeakPolarHBondContact O-CB 3.42Å; S1314-S1317 PolarHBondContact O-N 3.38Å; S1314-S1317 PolarHBondContact O-OG 3.22Å; S1314-S1317 VanDerWaalsContact O-OG 3.08Å; S1314-A1318 WeakPolarHBondContact O-CB 3.4Å; S1314-A1318 PolarHBondContact O-N 3.03Å; S1314-A1318 VanDerWaalsContact O-N 3.07Å; S1314-F1342 VanDerWaalsContact O-CE2 3.31Å; S1314-F1342 WeakPolarHBondContact O-CE2 3.39Å |
| 1315 | I | 55 | Low | 49 | Very low | 37.2 Ų | 37.2 | 75.6 Ų | 75.6 | 19% | 0.191 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -73.4 | -34.9 | 176.1 | -63.3 | 160 | 0 | 0 | 0 | 111 | L1311 D1312 R1313 A1318 K1319 F1342 T1346 K1386 | L1311-I1315 HydrophobicContact CB-CD1 4.18Å; L1311-I1315 HydrophobicContact CD2-CD1 3.74Å; L1311-I1315 HydrophobicContact CG-CD1 4.02Å; L1311-I1315 VanDerWaalsContact O-CB 3.26Å; L1311-I1315 WeakPolarHBondContact O-CB 3.37Å; L1311-I1315 VanDerWaalsContact O-CD1 3.27Å; L1311-I1315 WeakPolarHBondContact O-CD1 3.39Å; L1311-I1315 WeakPolarHBondContact O-CG1 3.25Å; L1311-I1315 PolarHBondContact O-N 3.13Å; D1312-I1315 PolarHBondContact O-N 2.81Å; R1313-I1315 VanDerWaalsContact C-N 3.27Å; R1313-I1315 PolarHBondContact O-N 3.18Å; I1315-A1318 PolarHBondContact O-N 2.95Å; I1315-K1319 WeakPolarHBondContact O-CG 3.5Å; I1315-K1319 PolarHBondContact O-N 3.05Å; I1315-K1319 VanDerWaalsContact O-N 3.08Å; I1315-F1342 HydrophobicContact CG1-CE2 3.99Å; I1315-F1342 HydrophobicContact CG1-CZ 3.92Å; I1315-T1346 HydrophobicContact CG1-CG2 4.3Å; I1315-K1386 HydrophobicContact CB-CD 4.27Å; I1315-K1386 HydrophobicContact CD1-CB 4.21Å; I1315-K1386 HydrophobicContact CD1-CD 3.6Å; I1315-K1386 VanDerWaalsContact CD1-CD 3.47Å; I1315-K1386 HydrophobicContact CD1-CG 4.16Å; I1315-K1386 HydrophobicContact CG1-CD 4.39Å; I1315-K1386 HydrophobicContact CG2-CB 4.36Å; I1315-K1386 HydrophobicContact CG2-CD 3.82Å; I1315-K1386 HydrophobicContact CG2-CG 4.19Å |
| 1316 | S | 53.7 | Low | 47.4 | Very low | 67.2 Ų | 67.2 | 80.2 Ų | 80.2 | 47% | 0.47 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72.8 | -36.3 | 176.4 | -23.7 | 0 | 0 | 0 | 0 | 112.8 | D1312 R1313 S1314 A1318 K1319 G1320 | D1312-S1316 VanDerWaalsContact O-CB 3.25Å; D1312-S1316 WeakPolarHBondContact O-CB 3.26Å; D1312-S1316 PolarHBondContact O-N 2.92Å; D1312-S1316 VanDerWaalsContact O-N 3.09Å; D1312-S1316 PolarHBondContact O-OG 3.18Å; R1313-S1316 WeakPolarHBondContact CA-OG 3.31Å; R1313-S1316 CarbonylContact O-C 3.45Å; R1313-S1316 PolarHBondContact O-N 3.19Å; R1313-S1316 VanDerWaalsContact O-N 3.08Å; R1313-S1316 PolarHBondContact O-OG 3.14Å; S1314-S1316 VanDerWaalsContact C-N 3.35Å; S1316-A1318 VanDerWaalsContact C-N 3.31Å; S1316-A1318 PolarHBondContact O-N 3.42Å; S1316-K1319 CarbonylContact O-C 3.4Å; S1316-K1319 WeakPolarHBondContact O-CA 3.47Å; S1316-K1319 WeakPolarHBondContact O-CB 3.43Å; S1316-K1319 PolarHBondContact O-N 3.22Å; S1316-G1320 PolarHBondContact O-N 3.03Å |
| 1317 | S | 51.4 | Low | 46 | Very low | 64.6 Ų | 64.6 | 85 Ų | 85 | 45% | 0.452 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 173.7 | 82.3 | 0 | 0 | 0 | 0 | 111.5 | R1313 S1314 K1319 G1320 G1321 | R1313-S1317 WeakPolarHBondContact O-CB 3.34Å; R1313-S1317 PolarHBondContact O-N 3.33Å; R1313-S1317 PolarHBondContact O-OG 3.23Å; S1314-S1317 WeakPolarHBondContact CA-OG 3.48Å; S1314-S1317 WeakPolarHBondContact O-CB 3.42Å; S1314-S1317 PolarHBondContact O-N 3.38Å; S1314-S1317 PolarHBondContact O-OG 3.22Å; S1314-S1317 VanDerWaalsContact O-OG 3.08Å; S1317-K1319 VanDerWaalsContact C-N 3.32Å; S1317-K1319 PolarHBondContact O-N 3.13Å; S1317-K1319 VanDerWaalsContact O-N 3.16Å; S1317-G1320 PolarHBondContact O-N 3.07Å; S1317-G1320 VanDerWaalsContact O-N 3.14Å; S1317-G1321 PolarHBondContact O-N 3.34Å; S1317-G1321 VanDerWaalsContact O-N 3.14Å |
| 1318 | A | 47.1 | Very low | 44.4 | Very low | 64.2 Ų | 64.2 | 88.9 Ų | 88.9 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -26.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1314 I1315 S1316 G1320 G1321 F1342 | S1314-A1318 WeakPolarHBondContact O-CB 3.4Å; S1314-A1318 PolarHBondContact O-N 3.03Å; S1314-A1318 VanDerWaalsContact O-N 3.07Å; I1315-A1318 PolarHBondContact O-N 2.95Å; S1316-A1318 VanDerWaalsContact C-N 3.31Å; S1316-A1318 PolarHBondContact O-N 3.42Å; A1318-G1320 VanDerWaalsContact C-N 3.27Å; A1318-G1320 PolarHBondContact O-N 3.26Å; A1318-G1321 PolarHBondContact O-N 3.3Å; A1318-F1342 HydrophobicContact CB-CE2 4.42Å; A1318-F1342 HydrophobicContact CB-CZ 4.06Å |
| 1319 | K | 42 | Very low | 42.9 | Very low | 170.6 Ų | 170.6 | 94.6 Ų | 94.6 | 74% | 0.742 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.5 | 175.9 | -79.5 | -176 | 177.5 | 179.4 | 0 | 114 | I1315 S1316 S1317 G1321 | I1315-K1319 WeakPolarHBondContact O-CG 3.5Å; I1315-K1319 PolarHBondContact O-N 3.05Å; I1315-K1319 VanDerWaalsContact O-N 3.08Å; S1316-K1319 CarbonylContact O-C 3.4Å; S1316-K1319 WeakPolarHBondContact O-CA 3.47Å; S1316-K1319 WeakPolarHBondContact O-CB 3.43Å; S1316-K1319 PolarHBondContact O-N 3.22Å; S1317-K1319 VanDerWaalsContact C-N 3.32Å; S1317-K1319 PolarHBondContact O-N 3.13Å; S1317-K1319 VanDerWaalsContact O-N 3.16Å; K1319-G1321 VanDerWaalsContact C-N 3.34Å |
| 1320 | G | 34 | Very low | 41.4 | Very low | 61.6 Ų | 61.6 | 98.4 Ų | 98.4 | 64% | 0.635 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -119.3 | 19 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1316 S1317 A1318 E1322 | S1316-G1320 PolarHBondContact O-N 3.03Å; S1317-G1320 PolarHBondContact O-N 3.07Å; S1317-G1320 VanDerWaalsContact O-N 3.14Å; A1318-G1320 VanDerWaalsContact C-N 3.27Å; A1318-G1320 PolarHBondContact O-N 3.26Å; G1320-E1322 PolarHBondContact O-N 2.92Å |
| 1321 | G | 31.3 | Very low | 40.1 | Very low | 50.6 Ų | 50.6 | 104.8 Ų | 104.8 | 52% | 0.522 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -136.1 | 107.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | S1317 A1318 K1319 I1323 | S1317-G1321 PolarHBondContact O-N 3.34Å; S1317-G1321 VanDerWaalsContact O-N 3.14Å; A1318-G1321 PolarHBondContact O-N 3.3Å; K1319-G1321 VanDerWaalsContact C-N 3.34Å; G1321-I1323 VanDerWaalsContact C-N 3.27Å; G1321-I1323 PolarHBondContact O-N 2.92Å |
| 1322 | E | 29.1 | Very low | 38.5 | Very low | 174.4 Ų | 174.4 | 112.2 Ų | 112.2 | 82% | 0.815 | 62% | 0.624 | S | S | * | * | trans | -35.3 | 65.2 | 170.6 | -63.8 | -178 | 156.5 | 0 | 0 | 114.7 | G1320 R1324 | G1320-E1322 PolarHBondContact O-N 2.92Å; E1322-R1324 PolarHBondContact O-N 3.18Å | ||
| 1323 | I | 33.4 | Very low | 36.8 | Very low | 154.2 Ų | 154.2 | 115.1 Ų | 115.1 | 79% | 0.791 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 39.4 | 167.1 | -56.9 | 173.5 | 0 | 0 | 0 | 110 | G1321 | G1321-I1323 VanDerWaalsContact C-N 3.27Å; G1321-I1323 PolarHBondContact O-N 2.92Å |
| 1324 | R | 29.1 | Very low | 35.4 | Very low | 235 Ų | 235 | 116.2 Ų | 116.2 | 89% | 0.887 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -110.8 | 2.3 | 174.2 | -98.6 | -174 | -179.9 | -175.5 | 1.1 | 115.1 | E1322 | E1322-R1324 PolarHBondContact O-N 3.18Š|
| 1325 | S | 28.6 | Very low | 34 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -124.4 | 28.3 | 179.8 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | S1327 | S1325-S1327 PolarHBondContact O-N 3.1Š|
| 1326 | M | 25.5 | Very low | 32.8 | Very low | 172 Ų | 172 | 124.8 Ų | 124.8 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | trans | -118.4 | 20.3 | 168.5 | -77.9 | -64.1 | -177.8 | 0 | 0 | 114 | S1328 | M1326-S1328 VanDerWaalsContact C-N 3.32Å; M1326-S1328 PolarHBondContact O-N 3.19Å | ||
| 1327 | S | 29.1 | Very low | 31.7 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -100.3 | 85.1 | 167.5 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | S1325 | S1325-S1327 PolarHBondContact O-N 3.1Š|
| 1328 | S | 29.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 153.1 | 111.5 | 159.9 | -160.2 | 0 | 0 | 0 | 0 | 112 | M1326 T1330 | M1326-S1328 VanDerWaalsContact C-N 3.32Å; M1326-S1328 PolarHBondContact O-N 3.19Å; S1328-T1330 PolarHBondContact O-N 3.02Å |
| 1329 | D | 28.5 | Very low | 29.7 | Very low | 143.4 Ų | 143.4 | 129.8 Ų | 129.8 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | trans | 72.9 | 77.7 | 160.6 | -54.8 | -15 | 0 | 0 | 0 | 115.9 | ||||
| 1330 | T | 28.7 | Very low | 29.5 | Very low | 132.6 Ų | 132.6 | 127.8 Ų | 127.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -169.8 | 85.4 | 136.7 | -5.5 | 0 | 0 | 0 | 0 | 110.7 | S1328 H1332 | S1328-T1330 PolarHBondContact O-N 3.02Å; T1330-H1332 PolarHBondContact O-N 3.37Å | ||
| 1331 | I | 31.4 | Very low | 29.8 | Very low | 154.8 Ų | 154.8 | 128.2 Ų | 128.2 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -73.1 | 97.9 | 162.4 | -63.6 | 165 | 0 | 0 | 0 | 107.5 | ||||
| 1332 | H | 25.3 | Very low | 30.4 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | 157 | 80.1 | 166.8 | -78.4 | -66.9 | 0 | 0 | 0 | 112.2 | T1330 | T1330-H1332 PolarHBondContact O-N 3.37Š| ||
| 1333 | C | 25 | Very low | 31.7 | Very low | 127.8 Ų | 127.8 | 128.6 Ų | 128.6 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -152.6 | 95.4 | 147.5 | -101 | 0 | 0 | 0 | 0 | 107.9 | D1335 | C1333-D1335 PolarHBondContact O-N 2.93Å; C1333-D1335 VanDerWaalsContact O-N 3.08Å | ||
| 1334 | V | 29.8 | Very low | 33.2 | Very low | 132.4 Ų | 132.4 | 122.6 Ų | 122.6 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | trans | -91.8 | 72.1 | 169 | 177.7 | 0 | 0 | 0 | 0 | 107.1 | S1336 | V1334-S1336 PolarHBondContact O-N 3.35Å; V1334-S1336 VanDerWaalsContact O-N 3.12Å | ||
| 1335 | D | 25.8 | Very low | 35 | Very low | 153.6 Ų | 153.6 | 112.3 Ų | 112.3 | 82% | 0.821 | 66% | 0.662 | S | S | * | * | trans | -138.2 | 105.1 | 162.4 | -82 | -25.2 | 0 | 0 | 0 | 110.3 | C1333 V1337 | C1333-D1335 PolarHBondContact O-N 2.93Å; C1333-D1335 VanDerWaalsContact O-N 3.08Å; D1335-V1337 PolarHBondContact O-N 3.29Å | ||
| 1336 | S | 30.4 | Very low | 37.1 | Very low | 96 Ų | 96 | 109.4 Ų | 109.4 | 67% | 0.671 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -73.5 | 116.1 | 177.7 | 65.4 | 0 | 0 | 0 | 0 | 114 | V1334 C1338 G1339 I1340 | V1334-S1336 PolarHBondContact O-N 3.35Å; V1334-S1336 VanDerWaalsContact O-N 3.12Å; S1336-C1338 PolarHBondContact O-N 3.03Å; S1336-C1338 VanDerWaalsContact O-N 3.08Å; S1336-G1339 PolarHBondContact O-N 3.47Å; S1336-G1339 VanDerWaalsContact O-N 3.11Å; S1336-I1340 WeakPolarHBondContact O-CD1 3.32Å; S1336-I1340 WeakPolarHBondContact O-CG1 3.47Å; S1336-I1340 PolarHBondContact O-N 3.47Å |
| 1337 | V | 31.1 | Very low | 39.4 | Very low | 127.8 Ų | 127.8 | 102.2 Ų | 102.2 | 78% | 0.775 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 43.9 | 6.6 | 169.3 | -171.4 | 0 | 0 | 0 | 0 | 114.1 | D1335 G1339 S1341 | D1335-V1337 PolarHBondContact O-N 3.29Å; V1337-G1339 PolarHBondContact O-N 3.23Å; V1337-S1341 WeakPolarHBondContact O-CB 3.44Å; V1337-S1341 PolarHBondContact O-N 3.1Å; V1337-S1341 VanDerWaalsContact O-N 3.11Å |
| 1338 | C | 28.1 | Very low | 41.7 | Very low | 104 Ų | 104 | 97.8 Ų | 97.8 | 70% | 0.703 | 58% | 0.577 | S | S | * | * | trans | -110.6 | 18.9 | 166.5 | -97.9 | 0 | 0 | 0 | 0 | 112.6 | E1258 S1336 I1340 S1341 F1342 | E1258-C1338 PolarHBondContact OE2-SG 3.44Å; S1336-C1338 PolarHBondContact O-N 3.03Å; S1336-C1338 VanDerWaalsContact O-N 3.08Å; C1338-I1340 VanDerWaalsContact C-N 3.35Å; C1338-I1340 PolarHBondContact O-N 2.95Å; C1338-I1340 VanDerWaalsContact O-N 3.15Å; C1338-S1341 PolarHBondContact O-N 3.33Å; C1338-F1342 PolarHBondContact O-N 3.25Å | ||
| 1339 | G | 29.1 | Very low | 44.1 | Very low | 68.4 Ų | 68.4 | 93.6 Ų | 93.6 | 71% | 0.705 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.7 | 10.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1336 V1337 S1341 R1343 | S1336-G1339 PolarHBondContact O-N 3.47Å; S1336-G1339 VanDerWaalsContact O-N 3.11Å; V1337-G1339 PolarHBondContact O-N 3.23Å; G1339-S1341 VanDerWaalsContact C-N 3.32Å; G1339-S1341 PolarHBondContact O-N 3.32Å; G1339-S1341 VanDerWaalsContact O-N 3.08Å; G1339-R1343 PolarHBondContact O-N 2.85Å |
| 1340 | I | 36.6 | Very low | 46.6 | Very low | 129.8 Ų | 129.8 | 86.8 Ų | 86.8 | 67% | 0.666 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -80 | 10.9 | 178.4 | -59.3 | 172.3 | 0 | 0 | 0 | 109.6 | S1336 C1338 F1342 R1343 G1344 | S1336-I1340 WeakPolarHBondContact O-CD1 3.32Å; S1336-I1340 WeakPolarHBondContact O-CG1 3.47Å; S1336-I1340 PolarHBondContact O-N 3.47Å; C1338-I1340 VanDerWaalsContact C-N 3.35Å; C1338-I1340 PolarHBondContact O-N 2.95Å; C1338-I1340 VanDerWaalsContact O-N 3.15Å; I1340-F1342 VanDerWaalsContact C-N 3.26Å; I1340-F1342 PolarHBondContact O-N 3.02Å; I1340-F1342 VanDerWaalsContact O-N 3.14Å; I1340-R1343 PolarHBondContact O-N 2.99Å; I1340-G1344 PolarHBondContact O-N 3.33Å; I1340-G1344 VanDerWaalsContact O-N 3.13Å |
| 1341 | S | 40.9 | Very low | 49.2 | Very low | 69.8 Ų | 69.8 | 82.3 Ų | 82.3 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.7 | 6.1 | 171.7 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | V1337 C1338 G1339 R1343 G1344 N1345 | V1337-S1341 WeakPolarHBondContact O-CB 3.44Å; V1337-S1341 PolarHBondContact O-N 3.1Å; V1337-S1341 VanDerWaalsContact O-N 3.11Å; C1338-S1341 PolarHBondContact O-N 3.33Å; G1339-S1341 VanDerWaalsContact C-N 3.32Å; G1339-S1341 PolarHBondContact O-N 3.32Å; G1339-S1341 VanDerWaalsContact O-N 3.08Å; S1341-R1343 PolarHBondContact O-N 3.24Å; S1341-G1344 WeakPolarHBondContact O-CA 3.49Å; S1341-G1344 PolarHBondContact O-N 2.7Å; S1341-G1344 VanDerWaalsContact O-N 3.12Å; S1341-N1345 PolarHBondContact O-N 2.89Å |
| 1342 | F | 44.1 | Very low | 51.7 | Low | 115.6 Ų | 115.6 | 75.2 Ų | 75.2 | 51% | 0.507 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.4 | 16.6 | -179.8 | -172.3 | -98.4 | 0 | 0 | 0 | 111.9 | S1314 I1315 A1318 C1338 I1340 G1344 N1345 T1346 | S1314-F1342 VanDerWaalsContact O-CE2 3.31Å; S1314-F1342 WeakPolarHBondContact O-CE2 3.39Å; I1315-F1342 HydrophobicContact CG1-CE2 3.99Å; I1315-F1342 HydrophobicContact CG1-CZ 3.92Å; A1318-F1342 HydrophobicContact CB-CE2 4.42Å; A1318-F1342 HydrophobicContact CB-CZ 4.06Å; C1338-F1342 PolarHBondContact O-N 3.25Å; I1340-F1342 VanDerWaalsContact C-N 3.26Å; I1340-F1342 PolarHBondContact O-N 3.02Å; I1340-F1342 VanDerWaalsContact O-N 3.14Å; F1342-G1344 VanDerWaalsContact C-N 3.26Å; F1342-G1344 PolarHBondContact O-N 2.98Å; F1342-N1345 PolarHBondContact O-N 2.87Å; F1342-N1345 VanDerWaalsContact O-N 3.1Å; F1342-T1346 HydrophobicContact CE1-CG2 4.04Å; F1342-T1346 HydrophobicContact CE2-CG2 4.23Å; F1342-T1346 HydrophobicContact CZ-CG2 3.82Å; F1342-T1346 PolarHBondContact O-N 3.1Å; F1342-T1346 VanDerWaalsContact O-N 3.1Å; F1342-T1346 PolarHBondContact O-OG1 2.94Å |
| 1343 | R | 54.8 | Low | 54.6 | Low | 117.4 Ų | 117.4 | 67.6 Ų | 67.6 | 44% | 0.443 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.1 | 62.6 | 172.9 | -113.7 | -173.3 | -178.1 | -128.3 | 2 | 108.7 | H1262 G1339 I1340 S1341 T1346 A1347 L1348 D1351 E1393 | H1262-R1343 PolarHBondContact CD2-O 3.39Å; H1262-R1343 VanDerWaalsContact CD2-O 3.23Å; H1262-R1343 PolarHBondContact NE2-O 3.1Å; G1339-R1343 PolarHBondContact O-N 2.85Å; I1340-R1343 PolarHBondContact O-N 2.99Å; S1341-R1343 PolarHBondContact O-N 3.24Å; R1343-T1346 PolarHBondContact O-OG1 3.37Å; R1343-T1346 VanDerWaalsContact O-OG1 3.04Å; R1343-A1347 VanDerWaalsContact O-CB 3.31Å; R1343-A1347 WeakPolarHBondContact O-CB 3.5Å; R1343-A1347 PolarHBondContact O-N 3.05Å; R1343-L1348 HydrophobicContact CB-CD2 4.38Å; R1343-L1348 HydrophobicContact CB-CG 4.35Å; R1343-D1351 IonicContact CZ-OD2 3.03Å; R1343-D1351 IonicContact NH1-OD1 3.39Å; R1343-D1351 IonicContact NH1-OD2 2.81Å; R1343-D1351 PolarHBondContact NH1-OD2 3.41Å; R1343-D1351 IonicContact NH2-OD2 3.02Å; R1343-D1351 PolarHBondContact NH2-OD2 3.49Å; R1343-E1393 IonicContact NH2-OE2 3.17Å; R1343-E1393 PolarHBondContact NH2-OE2 2.89Å; R1343-E1393 VanDerWaalsContact NH2-OE2 3.09Å |
| 1344 | G | 65.1 | Low | 57.4 | Low | 27.2 Ų | 27.2 | 62.9 Ų | 62.9 | 28% | 0.28 | 38% | 0.381 | S | S | . | . | trans | -61.2 | 173.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1340 S1341 F1342 T1346 A1347 L1348 | I1340-G1344 PolarHBondContact O-N 3.33Å; I1340-G1344 VanDerWaalsContact O-N 3.13Å; S1341-G1344 WeakPolarHBondContact O-CA 3.49Å; S1341-G1344 PolarHBondContact O-N 2.7Å; S1341-G1344 VanDerWaalsContact O-N 3.12Å; F1342-G1344 VanDerWaalsContact C-N 3.26Å; F1342-G1344 PolarHBondContact O-N 2.98Å; G1344-T1346 PolarHBondContact O-N 3.02Å; G1344-T1346 VanDerWaalsContact O-N 3.13Å; G1344-A1347 WeakPolarHBondContact O-CB 3.23Å; G1344-A1347 PolarHBondContact O-N 3.13Å; G1344-L1348 WeakPolarHBondContact O-CB 3.4Å; G1344-L1348 VanDerWaalsContact O-CG 3.27Å; G1344-L1348 WeakPolarHBondContact O-CG 3.46Å; G1344-L1348 PolarHBondContact O-N 3.15Å | ||
| 1345 | N | 68.3 | Low | 60.1 | Low | 20.4 Ų | 20.4 | 57.1 Ų | 57.1 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.5 | -33.5 | -178.7 | -69.6 | -16.7 | 0 | 0 | 0 | 113 | E1258 H1262 L1265 S1341 F1342 A1347 L1348 L1349 | E1258-N1345 PolarHBondContact O-ND2 3.22Å; E1258-N1345 VanDerWaalsContact O-ND2 3.16Å; H1262-N1345 WeakPolarHBondContact CA-OD1 3.06Å; H1262-N1345 PolarHBondContact ND1-OD1 2.94Å; L1265-N1345 HydrophobicContact CD1-CB 4.09Å; S1341-N1345 PolarHBondContact O-N 2.89Å; F1342-N1345 PolarHBondContact O-N 2.87Å; F1342-N1345 VanDerWaalsContact O-N 3.1Å; N1345-A1347 VanDerWaalsContact C-N 3.34Å; N1345-A1347 PolarHBondContact O-N 3.01Å; N1345-L1348 PolarHBondContact O-N 2.86Å; N1345-L1349 WeakPolarHBondContact O-CB 3.34Å; N1345-L1349 PolarHBondContact O-N 3.26Å |
| 1346 | T | 71.4 | Confident | 63.1 | Low | 30 Ų | 30 | 49.8 Ų | 49.8 | 18% | 0.184 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | L1311 I1315 F1342 R1343 G1344 L1349 A1350 | L1311-T1346 HydrophobicContact CD2-CG2 3.85Å; I1315-T1346 HydrophobicContact CG1-CG2 4.3Å; F1342-T1346 HydrophobicContact CE1-CG2 4.04Å; F1342-T1346 HydrophobicContact CE2-CG2 4.23Å; F1342-T1346 HydrophobicContact CZ-CG2 3.82Å; F1342-T1346 PolarHBondContact O-N 3.1Å; F1342-T1346 VanDerWaalsContact O-N 3.1Å; F1342-T1346 PolarHBondContact O-OG1 2.94Å; R1343-T1346 PolarHBondContact O-OG1 3.37Å; R1343-T1346 VanDerWaalsContact O-OG1 3.04Å; G1344-T1346 PolarHBondContact O-N 3.02Å; G1344-T1346 VanDerWaalsContact O-N 3.13Å; T1346-L1349 PolarHBondContact O-N 3.31Å; T1346-A1350 WeakPolarHBondContact O-CB 3.31Å; T1346-A1350 PolarHBondContact O-N 3.11Å |
| 1347 | A | 75.2 | Confident | 65.8 | Low | 21.6 Ų | 21.6 | 47.6 Ų | 47.6 | 18% | 0.179 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.8 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1343 G1344 N1345 L1349 A1350 D1351 | R1343-A1347 VanDerWaalsContact O-CB 3.31Å; R1343-A1347 WeakPolarHBondContact O-CB 3.5Å; R1343-A1347 PolarHBondContact O-N 3.05Å; G1344-A1347 WeakPolarHBondContact O-CB 3.23Å; G1344-A1347 PolarHBondContact O-N 3.13Å; N1345-A1347 VanDerWaalsContact C-N 3.34Å; N1345-A1347 PolarHBondContact O-N 3.01Å; A1347-L1349 VanDerWaalsContact C-N 3.29Å; A1347-L1349 PolarHBondContact O-N 3.23Å; A1347-A1350 CarbonylContact O-C 3.58Å; A1347-A1350 WeakPolarHBondContact O-CB 3.36Å; A1347-A1350 PolarHBondContact O-N 3.04Å; A1347-A1350 VanDerWaalsContact O-N 3.12Å; A1347-D1351 VanDerWaalsContact O-CG 3.23Å; A1347-D1351 PolarHBondContact O-N 3Å |
| 1348 | L | 77.3 | Confident | 68.3 | Low | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -39.7 | 174.6 | -70.9 | 174 | 0 | 0 | 0 | 112 | H1262 L1265 T1266 L1269 R1343 G1344 N1345 D1351 I1352 | H1262-L1348 VanDerWaalsContact CE1-CD1 3.42Å; H1262-L1348 WeakPolarHBondContact CE1-CD1 3.31Å; H1262-L1348 WeakPolarHBondContact ND1-CD1 3.4Å; L1265-L1348 HydrophobicContact CB-CB 4.17Å; L1265-L1348 HydrophobicContact CB-CD1 4.07Å; L1265-L1348 HydrophobicContact CD1-CB 4.4Å; T1266-L1348 HydrophobicContact CG2-CD1 3.67Å; T1266-L1348 HydrophobicContact CG2-CD2 3.96Å; T1266-L1348 HydrophobicContact CG2-CG 4.4Å; L1269-L1348 HydrophobicContact CD1-CD2 4.1Å; L1269-L1348 HydrophobicContact CD2-CD2 4.07Å; R1343-L1348 HydrophobicContact CB-CD2 4.38Å; R1343-L1348 HydrophobicContact CB-CG 4.35Å; G1344-L1348 WeakPolarHBondContact O-CB 3.4Å; G1344-L1348 VanDerWaalsContact O-CG 3.27Å; G1344-L1348 WeakPolarHBondContact O-CG 3.46Å; G1344-L1348 PolarHBondContact O-N 3.15Å; N1345-L1348 PolarHBondContact O-N 2.86Å; L1348-D1351 PolarHBondContact O-N 3.21Å; L1348-I1352 VanDerWaalsContact O-CG1 3.29Å; L1348-I1352 WeakPolarHBondContact O-CG1 3.34Å; L1348-I1352 PolarHBondContact O-N 2.96Å |
| 1349 | L | 79.5 | Confident | 70.9 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.2 | -171.2 | 115.8 | 0 | 0 | 0 | 111.6 | L1307 L1311 N1345 T1346 A1347 D1351 I1352 V1353 L1379 L1387 | L1307-L1349 HydrophobicContact CB-CD1 4.36Å; L1307-L1349 HydrophobicContact CD2-CD1 4.06Å; L1307-L1349 HydrophobicContact CD2-CG 4.49Å; L1307-L1349 HydrophobicContact CG-CD1 4.39Å; L1311-L1349 HydrophobicContact CD1-CD1 3.83Å; L1311-L1349 HydrophobicContact CD1-CD2 3.83Å; L1311-L1349 HydrophobicContact CD1-CG 4.26Å; L1311-L1349 HydrophobicContact CD2-CD1 4.1Å; L1311-L1349 HydrophobicContact CD2-CD2 3.99Å; L1311-L1349 HydrophobicContact CG-CD1 4.15Å; L1311-L1349 HydrophobicContact CG-CD2 3.5Å; L1311-L1349 VanDerWaalsContact CG-CD2 3.44Å; N1345-L1349 WeakPolarHBondContact O-CB 3.34Å; N1345-L1349 PolarHBondContact O-N 3.26Å; T1346-L1349 PolarHBondContact O-N 3.31Å; A1347-L1349 VanDerWaalsContact C-N 3.29Å; A1347-L1349 PolarHBondContact O-N 3.23Å; L1349-D1351 VanDerWaalsContact C-N 3.29Å; L1349-D1351 PolarHBondContact O-N 3.25Å; L1349-I1352 PolarHBondContact O-N 3.22Å; L1349-I1352 VanDerWaalsContact O-N 3.15Å; L1349-V1353 HydrophobicContact CD2-CG2 4.27Å; L1349-V1353 WeakPolarHBondContact O-CG2 3.39Å; L1349-V1353 PolarHBondContact O-N 3.03Å; L1349-L1379 HydrophobicContact CD1-CD1 4.13Å; L1349-L1379 HydrophobicContact CD2-CD2 4.45Å; L1349-L1379 HydrophobicContact CG-CD1 4.32Å; L1349-L1387 HydrophobicContact CD2-CD2 3.67Å; L1349-L1387 VanDerWaalsContact CD2-CD2 3.41Å; L1349-L1387 HydrophobicContact CG-CD2 4.09Å |
| 1350 | A | 80.2 | Confident | 73.6 | Confident | 0.8 Ų | 0.8 | 39.2 Ų | 39.2 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1346 A1347 I1352 V1353 A1354 L1387 Y1388 L1389 | T1346-A1350 WeakPolarHBondContact O-CB 3.31Å; T1346-A1350 PolarHBondContact O-N 3.11Å; A1347-A1350 CarbonylContact O-C 3.58Å; A1347-A1350 WeakPolarHBondContact O-CB 3.36Å; A1347-A1350 PolarHBondContact O-N 3.04Å; A1347-A1350 VanDerWaalsContact O-N 3.12Å; A1350-I1352 VanDerWaalsContact C-N 3.34Å; A1350-I1352 PolarHBondContact O-N 3.1Å; A1350-V1353 PolarHBondContact O-N 3.17Å; A1350-A1354 VanDerWaalsContact O-CB 3.31Å; A1350-A1354 WeakPolarHBondContact O-CB 3.24Å; A1350-A1354 PolarHBondContact O-N 3.29Å; A1350-L1387 HydrophobicContact CB-CB 4.28Å; A1350-L1387 HydrophobicContact CB-CD2 4.2Å; A1350-Y1388 WeakPolarHBondContact CB-O 3.41Å; A1350-L1389 HydrophobicContact CB-CD2 4.24Å |
| 1351 | D | 82.8 | Confident | 75.7 | Confident | 38.8 Ų | 38.8 | 35.5 Ų | 35.5 | 21% | 0.207 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.7 | -36.3 | 176.1 | -64.2 | -24.3 | 0 | 0 | 0 | 111.9 | L1269 R1343 A1347 L1348 L1349 A1354 S1355 S1390 | L1269-D1351 HydrophobicContact CD1-CB 3.63Å; L1269-D1351 VanDerWaalsContact CD1-CB 3.47Å; L1269-D1351 HydrophobicContact CD2-CB 3.9Å; L1269-D1351 HydrophobicContact CG-CB 4.38Å; R1343-D1351 IonicContact CZ-OD2 3.03Å; R1343-D1351 IonicContact NH1-OD1 3.39Å; R1343-D1351 IonicContact NH1-OD2 2.81Å; R1343-D1351 PolarHBondContact NH1-OD2 3.41Å; R1343-D1351 IonicContact NH2-OD2 3.02Å; R1343-D1351 PolarHBondContact NH2-OD2 3.49Å; A1347-D1351 VanDerWaalsContact O-CG 3.23Å; A1347-D1351 PolarHBondContact O-N 3Å; L1348-D1351 PolarHBondContact O-N 3.21Å; L1349-D1351 VanDerWaalsContact C-N 3.29Å; L1349-D1351 PolarHBondContact O-N 3.25Å; D1351-A1354 PolarHBondContact O-N 3.16Å; D1351-S1355 WeakPolarHBondContact O-CB 3.39Å; D1351-S1355 PolarHBondContact O-N 3.21Å; D1351-S1355 PolarHBondContact O-OG 3.18Å; D1351-S1390 PolarHBondContact OD1-OG 3.01Å |
| 1352 | I | 85.6 | Confident | 77.5 | Confident | 6.4 Ų | 6.4 | 36.4 Ų | 36.4 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -49.3 | 172.5 | -71.8 | 166.7 | 0 | 0 | 0 | 109.9 | L1265 W1268 L1269 L1272 L1348 L1349 A1350 A1354 S1355 L1356 W1375 | L1265-I1352 HydrophobicContact CB-CD1 4.2Å; L1265-I1352 HydrophobicContact CD2-CD1 3.53Å; L1265-I1352 VanDerWaalsContact CD2-CD1 3.46Å; L1265-I1352 HydrophobicContact CG-CD1 4.46Å; W1268-I1352 HydrophobicContact CB-CD1 4.41Å; L1269-I1352 HydrophobicContact CB-CG1 4.02Å; L1269-I1352 HydrophobicContact CD1-CG1 4.18Å; L1269-I1352 HydrophobicContact CG-CG1 4.5Å; L1272-I1352 HydrophobicContact CD1-CG2 4.04Å; L1348-I1352 VanDerWaalsContact O-CG1 3.29Å; L1348-I1352 WeakPolarHBondContact O-CG1 3.34Å; L1348-I1352 PolarHBondContact O-N 2.96Å; L1349-I1352 PolarHBondContact O-N 3.22Å; L1349-I1352 VanDerWaalsContact O-N 3.15Å; A1350-I1352 VanDerWaalsContact C-N 3.34Å; A1350-I1352 PolarHBondContact O-N 3.1Å; I1352-A1354 VanDerWaalsContact C-N 3.29Å; I1352-A1354 PolarHBondContact O-N 3.2Å; I1352-S1355 WeakPolarHBondContact CA-OG 3.4Å; I1352-S1355 PolarHBondContact O-N 3.22Å; I1352-S1355 VanDerWaalsContact O-N 3.1Å; I1352-S1355 PolarHBondContact O-OG 3.19Å; I1352-L1356 HydrophobicContact CG2-CD1 4.02Å; I1352-L1356 HydrophobicContact CG2-CG 4.3Å; I1352-L1356 VanDerWaalsContact O-CG 3.31Å; I1352-L1356 WeakPolarHBondContact O-CG 3.32Å; I1352-L1356 PolarHBondContact O-N 3.27Å; I1352-W1375 HydrophobicContact CG2-CZ3 4.22Å |
| 1353 | V | 85.5 | Confident | 79.2 | Confident | 11.2 Ų | 11.2 | 31.2 Ų | 31.2 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | 176.9 | 173 | 0 | 0 | 0 | 0 | 110.6 | L1349 A1350 S1355 L1356 L1357 L1379 L1387 Y2022 | L1349-V1353 HydrophobicContact CD2-CG2 4.27Å; L1349-V1353 WeakPolarHBondContact O-CG2 3.39Å; L1349-V1353 PolarHBondContact O-N 3.03Å; A1350-V1353 PolarHBondContact O-N 3.17Å; V1353-S1355 VanDerWaalsContact C-N 3.34Å; V1353-S1355 PolarHBondContact O-N 3.01Å; V1353-L1356 PolarHBondContact O-N 3.22Å; V1353-L1357 HydrophobicContact CG1-CD1 4.08Å; V1353-L1357 HydrophobicContact CG1-CG 4.42Å; V1353-L1357 WeakPolarHBondContact O-CB 3.24Å; V1353-L1357 VanDerWaalsContact O-CG 3.3Å; V1353-L1357 WeakPolarHBondContact O-CG 3.35Å; V1353-L1357 PolarHBondContact O-N 3.22Å; V1353-L1379 HydrophobicContact CG2-CD2 3.5Å; V1353-L1387 HydrophobicContact CB-CD1 4.37Å; V1353-L1387 HydrophobicContact CG1-CD1 4.13Å; V1353-L1387 HydrophobicContact CG2-CD1 4.26Å; V1353-Y2022 HydrophobicContact CG1-CD2 3.29Å; V1353-Y2022 HydrophobicContact CG1-CE2 3.6Å; V1353-Y2022 HydrophobicContact CG1-CG 4.17Å |
| 1354 | A | 84.3 | Confident | 80.2 | Confident | 29.6 Ų | 29.6 | 28.3 Ų | 28.3 | 25% | 0.245 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1350 D1351 I1352 L1356 L1357 E1358 L1389 P2019 | A1350-A1354 VanDerWaalsContact O-CB 3.31Å; A1350-A1354 WeakPolarHBondContact O-CB 3.24Å; A1350-A1354 PolarHBondContact O-N 3.29Å; D1351-A1354 PolarHBondContact O-N 3.16Å; I1352-A1354 VanDerWaalsContact C-N 3.29Å; I1352-A1354 PolarHBondContact O-N 3.2Å; A1354-L1356 VanDerWaalsContact C-N 3.34Å; A1354-L1356 PolarHBondContact O-N 2.85Å; A1354-L1357 PolarHBondContact O-N 3.07Å; A1354-E1358 VanDerWaalsContact O-CB 3.25Å; A1354-E1358 WeakPolarHBondContact O-CB 3.25Å; A1354-E1358 PolarHBondContact O-N 3.31Å; A1354-L1389 HydrophobicContact CB-CD2 4.25Å; A1354-P2019 HydrophobicContact CB-CB 4.23Å |
| 1355 | S | 85.4 | Confident | 81 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.1 | -33.5 | 177.8 | 77.1 | 0 | 0 | 0 | 0 | 113.2 | D1351 I1352 V1353 G1359 | D1351-S1355 WeakPolarHBondContact O-CB 3.39Å; D1351-S1355 PolarHBondContact O-N 3.21Å; D1351-S1355 PolarHBondContact O-OG 3.18Å; I1352-S1355 WeakPolarHBondContact CA-OG 3.4Å; I1352-S1355 PolarHBondContact O-N 3.22Å; I1352-S1355 VanDerWaalsContact O-N 3.1Å; I1352-S1355 PolarHBondContact O-OG 3.19Å; V1353-S1355 VanDerWaalsContact C-N 3.34Å; V1353-S1355 PolarHBondContact O-N 3.01Å; S1355-G1359 WeakPolarHBondContact O-CA 3.5Å; S1355-G1359 PolarHBondContact O-N 3.14Å |
| 1356 | L | 88.5 | Confident | 81.7 | Confident | 0.4 Ų | 0.4 | 34.2 Ų | 34.2 | 0% | 0.002 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.5 | -43.8 | 175.5 | -69.1 | 172.3 | 0 | 0 | 0 | 111.1 | L1272 L1284 I1352 V1353 A1354 E1358 G1359 L1360 Y1372 W1375 L1376 | L1272-L1356 HydrophobicContact CD1-CD2 4Å; L1272-L1356 HydrophobicContact CD1-CG 4.38Å; L1272-L1356 HydrophobicContact CD2-CD2 4.17Å; L1284-L1356 HydrophobicContact CD2-CD2 4.03Å; I1352-L1356 HydrophobicContact CG2-CD1 4.02Å; I1352-L1356 HydrophobicContact CG2-CG 4.3Å; I1352-L1356 VanDerWaalsContact O-CG 3.31Å; I1352-L1356 WeakPolarHBondContact O-CG 3.32Å; I1352-L1356 PolarHBondContact O-N 3.27Å; V1353-L1356 PolarHBondContact O-N 3.22Å; A1354-L1356 VanDerWaalsContact C-N 3.34Å; A1354-L1356 PolarHBondContact O-N 2.85Å; L1356-E1358 VanDerWaalsContact C-N 3.34Å; L1356-G1359 PolarHBondContact O-N 3.26Å; L1356-L1360 WeakPolarHBondContact O-CB 3.33Å; L1356-L1360 WeakPolarHBondContact O-CG 3.49Å; L1356-L1360 PolarHBondContact O-N 3.06Å; L1356-Y1372 HydrophobicContact CB-CD1 4.49Å; L1356-Y1372 HydrophobicContact CD2-CD1 3.77Å; L1356-Y1372 HydrophobicContact CD2-CE1 4.25Å; L1356-W1375 HydrophobicContact CD1-CB 4.29Å; L1356-W1375 HydrophobicContact CD1-CE3 4.08Å; L1356-W1375 HydrophobicContact CD2-CB 4.06Å; L1356-W1375 HydrophobicContact CD2-CD2 4.19Å; L1356-W1375 HydrophobicContact CD2-CE3 4.06Å; L1356-W1375 HydrophobicContact CD2-CG 4.26Å; L1356-L1376 HydrophobicContact CB-CD1 4.41Å; L1356-L1376 HydrophobicContact CB-CD2 3.99Å; L1356-L1376 HydrophobicContact CB-CG 4.27Å; L1356-L1376 HydrophobicContact CD1-CD2 4Å; L1356-L1376 HydrophobicContact CD1-CG 4.43Å |
| 1357 | L | 87.3 | Confident | 82.4 | Confident | 49.2 Ų | 49.2 | 39.8 Ų | 39.8 | 26% | 0.258 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 174.9 | -69.6 | 173.5 | 0 | 0 | 0 | 111.2 | V1353 A1354 G1359 L1360 T1361 L1376 L2011 A2015 Y2022 | V1353-L1357 HydrophobicContact CG1-CD1 4.08Å; V1353-L1357 HydrophobicContact CG1-CG 4.42Å; V1353-L1357 WeakPolarHBondContact O-CB 3.24Å; V1353-L1357 VanDerWaalsContact O-CG 3.3Å; V1353-L1357 WeakPolarHBondContact O-CG 3.35Å; V1353-L1357 PolarHBondContact O-N 3.22Å; A1354-L1357 PolarHBondContact O-N 3.07Å; L1357-G1359 PolarHBondContact O-N 2.95Å; L1357-L1360 WeakPolarHBondContact O-CB 3.35Å; L1357-L1360 PolarHBondContact O-N 3.13Å; L1357-T1361 WeakPolarHBondContact O-CB 3.39Å; L1357-T1361 WeakPolarHBondContact O-CG2 3.36Å; L1357-T1361 PolarHBondContact O-N 3.18Å; L1357-T1361 PolarHBondContact O-OG1 3.13Å; L1357-L1376 HydrophobicContact CD2-CD1 4.02Å; L1357-L1376 HydrophobicContact CD2-CD2 4.32Å; L1357-L1376 HydrophobicContact CG-CD1 4.41Å; L1357-L1376 HydrophobicContact CG-CD2 4.38Å; L1357-L2011 HydrophobicContact CD2-CD1 3.88Å; L1357-L2011 HydrophobicContact CD2-CD2 4.03Å; L1357-L2011 HydrophobicContact CD2-CG 4.15Å; L1357-A2015 HydrophobicContact CB-CB 4.11Å; L1357-A2015 HydrophobicContact CD2-CB 4.14Å; L1357-Y2022 HydrophobicContact CD1-CD2 4.5Å |
| 1358 | E | 84.3 | Confident | 82.8 | Confident | 87.8 Ų | 87.8 | 38.8 Ų | 38.8 | 41% | 0.41 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 174 | -173.1 | 179.7 | -178.1 | 0 | 0 | 110.9 | A1354 L1356 L1360 T1361 R1362 | A1354-E1358 VanDerWaalsContact O-CB 3.25Å; A1354-E1358 WeakPolarHBondContact O-CB 3.25Å; A1354-E1358 PolarHBondContact O-N 3.31Å; L1356-E1358 VanDerWaalsContact C-N 3.34Å; E1358-L1360 VanDerWaalsContact C-N 3.31Å; E1358-L1360 PolarHBondContact O-N 3.01Å; E1358-T1361 PolarHBondContact O-N 3.08Å; E1358-T1361 VanDerWaalsContact O-N 3.11Å; E1358-T1361 PolarHBondContact O-OG1 3.05Å; E1358-R1362 VanDerWaalsContact CD-CZ 3.48Å; E1358-R1362 VanDerWaalsContact CD-NH1 3.27Å; E1358-R1362 VanDerWaalsContact CG-CD 3.43Å; E1358-R1362 HydrophobicContact CG-CG 4.14Å; E1358-R1362 WeakPolarHBondContact O-CB 3.4Å; E1358-R1362 VanDerWaalsContact O-CG 3.24Å; E1358-R1362 WeakPolarHBondContact O-CG 3.33Å; E1358-R1362 PolarHBondContact O-N 2.98Å; E1358-R1362 IonicContact OE1-CZ 3.28Å; E1358-R1362 IonicContact OE1-NE 3.73Å; E1358-R1362 PolarHBondContact OE1-NE 3.06Å; E1358-R1362 IonicContact OE1-NH1 3.06Å; E1358-R1362 PolarHBondContact OE1-NH1 3.21Å; E1358-R1362 IonicContact OE1-NH2 3.01Å; E1358-R1362 PolarHBondContact OE1-NH2 3.1Å; E1358-R1362 IonicContact OE2-CZ 3.44Å; E1358-R1362 IonicContact OE2-NH1 2.77Å; E1358-R1362 IonicContact OE2-NH2 3.33Å; E1358-R1362 PolarHBondContact OE2-NH2 3.2Å |
| 1359 | G | 83.2 | Confident | 83.4 | Confident | 4.6 Ų | 4.6 | 41.4 Ų | 41.4 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1355 L1356 L1357 T1361 R1362 D1363 Y1372 | S1355-G1359 WeakPolarHBondContact O-CA 3.5Å; S1355-G1359 PolarHBondContact O-N 3.14Å; L1356-G1359 PolarHBondContact O-N 3.26Å; L1357-G1359 PolarHBondContact O-N 2.95Å; G1359-T1361 VanDerWaalsContact C-N 3.33Å; G1359-T1361 PolarHBondContact O-N 3.16Å; G1359-R1362 PolarHBondContact O-N 3.16Å; G1359-R1362 VanDerWaalsContact O-N 3.1Å; G1359-D1363 VanDerWaalsContact O-CB 3.27Å; G1359-D1363 WeakPolarHBondContact O-CB 3.35Å; G1359-D1363 PolarHBondContact O-N 3.25Å; G1359-D1363 VanDerWaalsContact O-N 3.09Å; G1359-Y1372 VanDerWaalsContact C-CD2 3.41Å; G1359-Y1372 VanDerWaalsContact CA-CE2 3.48Å; G1359-Y1372 WeakPolarHBondContact O-CD2 3.4Å |
| 1360 | L | 85.6 | Confident | 83.8 | Confident | 30.8 Ų | 30.8 | 44.4 Ų | 44.4 | 16% | 0.161 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 178 | -164 | 80.8 | 0 | 0 | 0 | 113 | L1356 L1357 E1358 R1362 R1369 Y1372 A1373 L1376 V2008 L2011 A2015 | L1356-L1360 WeakPolarHBondContact O-CB 3.33Å; L1356-L1360 WeakPolarHBondContact O-CG 3.49Å; L1356-L1360 PolarHBondContact O-N 3.06Å; L1357-L1360 WeakPolarHBondContact O-CB 3.35Å; L1357-L1360 PolarHBondContact O-N 3.13Å; E1358-L1360 VanDerWaalsContact C-N 3.31Å; E1358-L1360 PolarHBondContact O-N 3.01Å; L1360-R1362 VanDerWaalsContact C-N 3.32Å; L1360-R1369 HydrophobicContact CD1-CB 4.19Å; L1360-R1369 HydrophobicContact CD1-CG 3.91Å; L1360-R1369 VanDerWaalsContact CD1-O 3.22Å; L1360-R1369 WeakPolarHBondContact CD1-O 3.34Å; L1360-R1369 HydrophobicContact CD2-CB 4.34Å; L1360-R1369 WeakPolarHBondContact CD2-O 3.41Å; L1360-R1369 WeakPolarHBondContact O-CD 3.35Å; L1360-R1369 VanDerWaalsContact O-CG 3.3Å; L1360-R1369 WeakPolarHBondContact O-CG 3.4Å; L1360-Y1372 HydrophobicContact CD1-CD2 4.27Å; L1360-Y1372 HydrophobicContact CD1-CG 4.5Å; L1360-Y1372 HydrophobicContact CG-CG 4.43Å; L1360-A1373 HydrophobicContact CD1-CB 3.92Å; L1360-A1373 HydrophobicContact CD2-CB 3.93Å; L1360-L1376 HydrophobicContact CB-CD1 4.26Å; L1360-L1376 HydrophobicContact CD1-CD1 3.17Å; L1360-L1376 HydrophobicContact CD1-CG 3.95Å; L1360-L1376 HydrophobicContact CD2-CD1 3.71Å; L1360-V2008 HydrophobicContact CD1-CG1 3.3Å; L1360-V2008 HydrophobicContact CD1-CG2 4.43Å; L1360-V2008 HydrophobicContact CD2-CG1 4.02Å; L1360-V2008 HydrophobicContact CG-CG1 4.15Å; L1360-L2011 HydrophobicContact CD2-CB 4.25Å; L1360-L2011 HydrophobicContact CD2-CD2 3.65Å; L1360-L2011 HydrophobicContact CD2-CG 3.8Å; L1360-A2015 HydrophobicContact CD2-CB 4.32Å |
| 1361 | T | 80.6 | Confident | 84.1 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 32% | 0.319 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -82.2 | -23.5 | -178.3 | 61 | 0 | 0 | 0 | 0 | 113.2 | L1357 E1358 G1359 L1635 A2015 L2016 | L1357-T1361 WeakPolarHBondContact O-CB 3.39Å; L1357-T1361 WeakPolarHBondContact O-CG2 3.36Å; L1357-T1361 PolarHBondContact O-N 3.18Å; L1357-T1361 PolarHBondContact O-OG1 3.13Å; E1358-T1361 PolarHBondContact O-N 3.08Å; E1358-T1361 VanDerWaalsContact O-N 3.11Å; E1358-T1361 PolarHBondContact O-OG1 3.05Å; G1359-T1361 VanDerWaalsContact C-N 3.33Å; G1359-T1361 PolarHBondContact O-N 3.16Å; T1361-L1635 WeakPolarHBondContact O-CD2 3.49Å; T1361-A2015 HydrophobicContact CG2-CB 3.73Å; T1361-L2016 HydrophobicContact CG2-CD2 3.81Å; T1361-L2016 HydrophobicContact CG2-CG 4.02Å |
| 1362 | R | 77.9 | Confident | 84.4 | Confident | 89.2 Ų | 89.2 | 43.7 Ų | 43.7 | 34% | 0.337 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -101.6 | -27.4 | -174.1 | -62.3 | -177.8 | -179.3 | -178.7 | -5 | 114.1 | E1358 G1359 L1360 T1560 R1563 | E1358-R1362 VanDerWaalsContact CD-CZ 3.48Å; E1358-R1362 VanDerWaalsContact CD-NH1 3.27Å; E1358-R1362 VanDerWaalsContact CG-CD 3.43Å; E1358-R1362 HydrophobicContact CG-CG 4.14Å; E1358-R1362 WeakPolarHBondContact O-CB 3.4Å; E1358-R1362 VanDerWaalsContact O-CG 3.24Å; E1358-R1362 WeakPolarHBondContact O-CG 3.33Å; E1358-R1362 PolarHBondContact O-N 2.98Å; E1358-R1362 IonicContact OE1-CZ 3.28Å; E1358-R1362 IonicContact OE1-NE 3.73Å; E1358-R1362 PolarHBondContact OE1-NE 3.06Å; E1358-R1362 IonicContact OE1-NH1 3.06Å; E1358-R1362 PolarHBondContact OE1-NH1 3.21Å; E1358-R1362 IonicContact OE1-NH2 3.01Å; E1358-R1362 PolarHBondContact OE1-NH2 3.1Å; E1358-R1362 IonicContact OE2-CZ 3.44Å; E1358-R1362 IonicContact OE2-NH1 2.77Å; E1358-R1362 IonicContact OE2-NH2 3.33Å; E1358-R1362 PolarHBondContact OE2-NH2 3.2Å; G1359-R1362 PolarHBondContact O-N 3.16Å; G1359-R1362 VanDerWaalsContact O-N 3.1Å; L1360-R1362 VanDerWaalsContact C-N 3.32Å; R1362-T1560 HydrophobicContact CG-CG2 4.41Å; R1362-R1563 PolarHBondContact O-NH1 3.48Å; R1362-R1563 PolarHBondContact O-NH2 3.15Å |
| 1363 | D | 79.9 | Confident | 84.5 | Confident | 7.6 Ų | 7.6 | 44.6 Ų | 44.6 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | trans | -86.1 | 128.7 | -176.4 | -110.4 | -48.3 | 0 | 0 | 0 | 111.9 | R1277 R1280 G1359 D1365 M1368 R1369 Y1372 | R1277-D1363 IonicContact CZ-OD1 3.58Å; R1277-D1363 VanDerWaalsContact CZ-OD1 3.31Å; R1277-D1363 IonicContact NE-OD1 3.03Å; R1277-D1363 PolarHBondContact NE-OD1 3.19Å; R1277-D1363 IonicContact NE-OD2 3.37Å; R1277-D1363 IonicContact NH2-OD1 3.16Å; R1277-D1363 PolarHBondContact NH2-OD1 3.02Å; R1280-D1363 IonicContact CZ-OD2 3.12Å; R1280-D1363 VanDerWaalsContact CZ-OD2 3.31Å; R1280-D1363 IonicContact NE-OD2 3.41Å; R1280-D1363 PolarHBondContact NE-OD2 2.79Å; R1280-D1363 IonicContact NH1-OD2 3.83Å; R1280-D1363 PolarHBondContact NH1-OD2 3.26Å; R1280-D1363 IonicContact NH2-OD1 3.44Å; R1280-D1363 PolarHBondContact NH2-OD1 3.38Å; R1280-D1363 VanDerWaalsContact NH2-OD1 3.14Å; R1280-D1363 IonicContact NH2-OD2 3.18Å; R1280-D1363 PolarHBondContact NH2-OD2 3.26Å; R1280-D1363 VanDerWaalsContact NH2-OD2 3.09Å; G1359-D1363 VanDerWaalsContact O-CB 3.27Å; G1359-D1363 WeakPolarHBondContact O-CB 3.35Å; G1359-D1363 PolarHBondContact O-N 3.25Å; G1359-D1363 VanDerWaalsContact O-N 3.09Å; D1363-D1365 VanDerWaalsContact C-N 3.33Å; D1363-D1365 PolarHBondContact OD1-N 3.24Å; D1363-M1368 HydrophobicContact CB-CB 4.27Å; D1363-R1369 HydrophobicContact CB-CG 4.41Å; D1363-R1369 VanDerWaalsContact O-CD 3.31Å; D1363-R1369 WeakPolarHBondContact O-CD 3.41Å; D1363-R1369 VanDerWaalsContact O-CG 3.23Å; D1363-R1369 WeakPolarHBondContact O-CG 3.45Å; D1363-R1369 PolarHBondContact O-NE 3.15Å; D1363-Y1372 HydrophobicContact CB-CE2 4.16Å; D1363-Y1372 WeakPolarHBondContact OD2-CE2 3.32Å; D1363-Y1372 PolarHBondContact OD2-OH 3.1Å; D1363-Y1372 VanDerWaalsContact OD2-OH 3.12Å | ||
| 1364 | T | 76.2 | Confident | 84.5 | Confident | 55.8 Ų | 55.8 | 47.3 Ų | 47.3 | 34% | 0.342 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -83.2 | -19.6 | -179.5 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | R1277 E1366 Y1524 E1525 A1559 | R1277-T1364 PolarHBondContact NH2-OG1 3.24Å; T1364-E1366 PolarHBondContact O-N 3.02Å; T1364-Y1524 HydrophobicContact CG2-CD1 3.93Å; T1364-Y1524 HydrophobicContact CG2-CE1 4.02Å; T1364-E1525 VanDerWaalsContact CB-OE1 3.26Å; T1364-E1525 WeakPolarHBondContact CB-OE1 3.33Å; T1364-E1525 HydrophobicContact CG2-CG 3.71Å; T1364-E1525 WeakPolarHBondContact CG2-OE1 3.36Å; T1364-E1525 PolarHBondContact OG1-OE1 3.13Å; T1364-A1559 HydrophobicContact CG2-CB 4.39Å |
| 1365 | D | 82 | Confident | 84.5 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | trans | -76 | 120.1 | -179.8 | -176.9 | 1.3 | 0 | 0 | 0 | 110.4 | R1277 D1363 K1367 M1368 R1369 | R1277-D1365 IonicContact CZ-OD2 3.98Å; R1277-D1365 IonicContact NH2-OD2 3.23Å; R1277-D1365 PolarHBondContact NH2-OD2 3.48Å; D1363-D1365 VanDerWaalsContact C-N 3.33Å; D1363-D1365 PolarHBondContact OD1-N 3.24Å; D1365-K1367 VanDerWaalsContact C-N 3.31Å; D1365-K1367 PolarHBondContact O-N 3.3Å; D1365-K1367 WeakPolarHBondContact OD1-CB 3.34Å; D1365-K1367 PolarHBondContact OD1-N 3.12Å; D1365-K1367 VanDerWaalsContact OD1-N 3.11Å; D1365-M1368 HydrophobicContact CB-CB 4.12Å; D1365-M1368 HydrophobicContact CB-CG 4Å; D1365-M1368 WeakPolarHBondContact O-CA 3.42Å; D1365-M1368 WeakPolarHBondContact O-CB 3.35Å; D1365-M1368 PolarHBondContact O-N 3.17Å; D1365-M1368 VanDerWaalsContact O-N 3.1Å; D1365-R1369 WeakPolarHBondContact O-CG 3.28Å; D1365-R1369 PolarHBondContact O-N 3.27Å | ||
| 1366 | E | 83.3 | Confident | 84.5 | Confident | 122.8 Ų | 122.8 | 47.1 Ų | 47.1 | 57% | 0.574 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -56.2 | -38.3 | 177.4 | -157.7 | -177 | 169.6 | 0 | 0 | 112 | T1364 M1368 R1369 L1370 I2005 | T1364-E1366 PolarHBondContact O-N 3.02Å; E1366-M1368 VanDerWaalsContact C-N 3.3Å; E1366-M1368 PolarHBondContact O-N 3.24Å; E1366-R1369 PolarHBondContact O-N 3.27Å; E1366-R1369 VanDerWaalsContact O-N 3.17Å; E1366-L1370 HydrophobicContact CG-CD1 4.42Å; E1366-L1370 WeakPolarHBondContact O-CB 3.4Å; E1366-L1370 VanDerWaalsContact O-CG 3.31Å; E1366-L1370 WeakPolarHBondContact O-CG 3.34Å; E1366-L1370 PolarHBondContact O-N 3.16Å; E1366-I2005 HydrophobicContact CG-CD1 3.54Å; E1366-I2005 HydrophobicContact CG-CG1 4.19Å; E1366-I2005 WeakPolarHBondContact OE1-CD1 3.14Å |
| 1367 | K | 85.4 | Confident | 84.3 | Confident | 148.6 Ų | 148.6 | 48.7 Ų | 48.7 | 65% | 0.646 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.5 | -38.3 | 178.9 | -64.8 | -178.9 | -179.6 | 179.3 | 0 | 111.8 | D1365 L1370 L1371 | D1365-K1367 VanDerWaalsContact C-N 3.31Å; D1365-K1367 PolarHBondContact O-N 3.3Å; D1365-K1367 WeakPolarHBondContact OD1-CB 3.34Å; D1365-K1367 PolarHBondContact OD1-N 3.12Å; D1365-K1367 VanDerWaalsContact OD1-N 3.11Å; K1367-L1370 PolarHBondContact O-N 3.3Å; K1367-L1371 WeakPolarHBondContact O-CG 3.33Å; K1367-L1371 PolarHBondContact O-N 3.18Å; K1367-L1371 VanDerWaalsContact O-N 3.08Å |
| 1368 | M | 84.7 | Confident | 83.8 | Confident | 0.6 Ų | 0.6 | 47.7 Ų | 47.7 | 0% | 0.003 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 174.2 | -72.5 | -64.8 | -63.7 | 0 | 0 | 111.1 | R1277 R1280 R1281 L1284 D1363 D1365 E1366 L1370 L1371 Y1372 | R1277-M1368 HydrophobicContact CG-CE 4.31Å; R1277-M1368 HydrophobicContact CG-CG 4.04Å; R1277-M1368 HydrophobicContact CG-SD 4.23Å; R1280-M1368 HydrophobicContact CB-CE 4.02Å; R1281-M1368 HydrophobicContact CB-CE 4.22Å; R1281-M1368 HydrophobicContact CB-SD 3.51Å; R1281-M1368 VanDerWaalsContact CB-SD 3.54Å; R1281-M1368 WeakPolarHBondContact CB-SD 3.22Å; R1281-M1368 HydrophobicContact CG-SD 3.68Å; R1281-M1368 VanDerWaalsContact CG-SD 3.57Å; L1284-M1368 HydrophobicContact CD1-CE 3.76Å; D1363-M1368 HydrophobicContact CB-CB 4.27Å; D1365-M1368 HydrophobicContact CB-CB 4.12Å; D1365-M1368 HydrophobicContact CB-CG 4Å; D1365-M1368 WeakPolarHBondContact O-CA 3.42Å; D1365-M1368 WeakPolarHBondContact O-CB 3.35Å; D1365-M1368 PolarHBondContact O-N 3.17Å; D1365-M1368 VanDerWaalsContact O-N 3.1Å; E1366-M1368 VanDerWaalsContact C-N 3.3Å; E1366-M1368 PolarHBondContact O-N 3.24Å; M1368-L1370 VanDerWaalsContact C-N 3.3Å; M1368-L1370 PolarHBondContact O-N 2.93Å; M1368-L1371 WeakPolarHBondContact O-CB 3.35Å; M1368-L1371 PolarHBondContact O-N 3.12Å; M1368-L1371 VanDerWaalsContact O-N 3.09Å; M1368-L1371 HydrophobicContact SD-CD1 4.26Å; M1368-Y1372 HydrophobicContact CB-CD2 4.47Å; M1368-Y1372 HydrophobicContact CB-CE2 4.24Å; M1368-Y1372 HydrophobicContact CE-CE2 4.05Å; M1368-Y1372 WeakPolarHBondContact O-CD2 3.35Å; M1368-Y1372 PolarHBondContact O-N 3.18Å |
| 1369 | R | 88.9 | Confident | 83.6 | Confident | 69 Ų | 69 | 44 Ų | 44 | 26% | 0.26 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.7 | -41.1 | 175.9 | -71.3 | -173.7 | -112.1 | 168.6 | -0.6 | 112.2 | L1360 D1363 D1365 E1366 L1371 Y1372 A1373 V2008 | L1360-R1369 HydrophobicContact CD1-CB 4.19Å; L1360-R1369 HydrophobicContact CD1-CG 3.91Å; L1360-R1369 VanDerWaalsContact CD1-O 3.22Å; L1360-R1369 WeakPolarHBondContact CD1-O 3.34Å; L1360-R1369 HydrophobicContact CD2-CB 4.34Å; L1360-R1369 WeakPolarHBondContact CD2-O 3.41Å; L1360-R1369 WeakPolarHBondContact O-CD 3.35Å; L1360-R1369 VanDerWaalsContact O-CG 3.3Å; L1360-R1369 WeakPolarHBondContact O-CG 3.4Å; D1363-R1369 HydrophobicContact CB-CG 4.41Å; D1363-R1369 VanDerWaalsContact O-CD 3.31Å; D1363-R1369 WeakPolarHBondContact O-CD 3.41Å; D1363-R1369 VanDerWaalsContact O-CG 3.23Å; D1363-R1369 WeakPolarHBondContact O-CG 3.45Å; D1363-R1369 PolarHBondContact O-NE 3.15Å; D1365-R1369 WeakPolarHBondContact O-CG 3.28Å; D1365-R1369 PolarHBondContact O-N 3.27Å; E1366-R1369 PolarHBondContact O-N 3.27Å; E1366-R1369 VanDerWaalsContact O-N 3.17Å; R1369-L1371 VanDerWaalsContact C-N 3.34Å; R1369-L1371 PolarHBondContact O-N 3.08Å; R1369-Y1372 PolarHBondContact O-N 3.27Å; R1369-A1373 WeakPolarHBondContact O-CB 3.35Å; R1369-A1373 PolarHBondContact O-N 3.36Å; R1369-V2008 HydrophobicContact CB-CG1 4.11Å; R1369-V2008 HydrophobicContact CG-CG1 4.38Å |
| 1370 | L | 87.7 | Confident | 83.3 | Confident | 70.2 Ų | 70.2 | 45 Ų | 45 | 37% | 0.368 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 173.8 | -86.6 | 167.6 | 0 | 0 | 0 | 112.2 | E1366 K1367 M1368 A1373 Q1374 A2001 R2004 I2005 | E1366-L1370 HydrophobicContact CG-CD1 4.42Å; E1366-L1370 WeakPolarHBondContact O-CB 3.4Å; E1366-L1370 VanDerWaalsContact O-CG 3.31Å; E1366-L1370 WeakPolarHBondContact O-CG 3.34Å; E1366-L1370 PolarHBondContact O-N 3.16Å; K1367-L1370 PolarHBondContact O-N 3.3Å; M1368-L1370 VanDerWaalsContact C-N 3.3Å; M1368-L1370 PolarHBondContact O-N 2.93Å; L1370-A1373 WeakPolarHBondContact O-CB 3.34Å; L1370-A1373 PolarHBondContact O-N 3Å; L1370-Q1374 VanDerWaalsContact CD2-CD 3.44Å; L1370-Q1374 HydrophobicContact CD2-CG 4.2Å; L1370-Q1374 WeakPolarHBondContact O-CB 3.36Å; L1370-Q1374 VanDerWaalsContact O-CG 3.26Å; L1370-Q1374 WeakPolarHBondContact O-CG 3.33Å; L1370-Q1374 PolarHBondContact O-N 3.05Å; L1370-A2001 HydrophobicContact CD1-CB 4.28Å; L1370-A2001 HydrophobicContact CD2-CB 3.89Å; L1370-A2001 VanDerWaalsContact CD2-O 3.28Å; L1370-A2001 WeakPolarHBondContact CD2-O 2.99Å; L1370-R2004 HydrophobicContact CD2-CB 3.98Å; L1370-I2005 HydrophobicContact CD1-CD1 4.22Å; L1370-I2005 HydrophobicContact CD2-CD1 3.85Å; L1370-I2005 HydrophobicContact CD2-CG1 3.6Å; L1370-I2005 HydrophobicContact CG-CD1 4.04Å; L1370-I2005 HydrophobicContact CG-CG1 3.93Å |
| 1371 | L | 86.2 | Confident | 83 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | 175.3 | -71.3 | 170.1 | 0 | 0 | 0 | 112.1 | R1281 L1284 T1285 K1367 M1368 R1369 A1373 Q1374 W1375 | R1281-L1371 HydrophobicContact CG-CD1 4.08Å; L1284-L1371 HydrophobicContact CB-CB 4.02Å; L1284-L1371 HydrophobicContact CB-CD1 4.3Å; L1284-L1371 HydrophobicContact CB-CG 4.48Å; L1284-L1371 HydrophobicContact CD1-CB 3.91Å; L1284-L1371 HydrophobicContact CG-CB 4.47Å; T1285-L1371 HydrophobicContact CG2-CD1 3.78Å; T1285-L1371 HydrophobicContact CG2-CD2 3.89Å; T1285-L1371 HydrophobicContact CG2-CG 4.42Å; K1367-L1371 WeakPolarHBondContact O-CG 3.33Å; K1367-L1371 PolarHBondContact O-N 3.18Å; K1367-L1371 VanDerWaalsContact O-N 3.08Å; M1368-L1371 WeakPolarHBondContact O-CB 3.35Å; M1368-L1371 PolarHBondContact O-N 3.12Å; M1368-L1371 VanDerWaalsContact O-N 3.09Å; M1368-L1371 HydrophobicContact SD-CD1 4.26Å; R1369-L1371 VanDerWaalsContact C-N 3.34Å; R1369-L1371 PolarHBondContact O-N 3.08Å; L1371-A1373 VanDerWaalsContact C-N 3.33Å; L1371-A1373 PolarHBondContact O-N 3.5Å; L1371-Q1374 PolarHBondContact O-N 3.12Å; L1371-W1375 VanDerWaalsContact O-CD1 3.23Å; L1371-W1375 PolarHBondContact O-N 3.12Å |
| 1372 | Y | 89.2 | Confident | 82.8 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 172.8 | -70.1 | -64 | 0 | 0 | 0 | 111.6 | L1272 R1280 L1284 L1356 G1359 L1360 D1363 M1368 R1369 Q1374 W1375 L1376 | L1272-Y1372 HydrophobicContact CD2-CE1 4.39Å; R1280-Y1372 WeakPolarHBondContact CD-OH 3.35Å; R1280-Y1372 PolarHBondContact NE-OH 2.9Å; R1280-Y1372 PolarHBondContact NH1-OH 3.09Å; L1284-Y1372 HydrophobicContact CD1-CD1 3.87Å; L1284-Y1372 HydrophobicContact CD1-CD2 4.42Å; L1284-Y1372 HydrophobicContact CD1-CE1 3.65Å; L1284-Y1372 HydrophobicContact CD1-CE2 4.25Å; L1284-Y1372 HydrophobicContact CD1-CG 4.26Å; L1284-Y1372 HydrophobicContact CD2-CD1 4.03Å; L1284-Y1372 HydrophobicContact CD2-CE1 4.18Å; L1284-Y1372 HydrophobicContact CG-CD1 4.35Å; L1284-Y1372 HydrophobicContact CG-CE1 4.42Å; L1356-Y1372 HydrophobicContact CB-CD1 4.49Å; L1356-Y1372 HydrophobicContact CD2-CD1 3.77Å; L1356-Y1372 HydrophobicContact CD2-CE1 4.25Å; G1359-Y1372 VanDerWaalsContact C-CD2 3.41Å; G1359-Y1372 VanDerWaalsContact CA-CE2 3.48Å; G1359-Y1372 WeakPolarHBondContact O-CD2 3.4Å; L1360-Y1372 HydrophobicContact CD1-CD2 4.27Å; L1360-Y1372 HydrophobicContact CD1-CG 4.5Å; L1360-Y1372 HydrophobicContact CG-CG 4.43Å; D1363-Y1372 HydrophobicContact CB-CE2 4.16Å; D1363-Y1372 WeakPolarHBondContact OD2-CE2 3.32Å; D1363-Y1372 PolarHBondContact OD2-OH 3.1Å; D1363-Y1372 VanDerWaalsContact OD2-OH 3.12Å; M1368-Y1372 HydrophobicContact CB-CD2 4.47Å; M1368-Y1372 HydrophobicContact CB-CE2 4.24Å; M1368-Y1372 HydrophobicContact CE-CE2 4.05Å; M1368-Y1372 WeakPolarHBondContact O-CD2 3.35Å; M1368-Y1372 PolarHBondContact O-N 3.18Å; R1369-Y1372 PolarHBondContact O-N 3.27Å; Y1372-Q1374 VanDerWaalsContact C-N 3.33Å; Y1372-Q1374 PolarHBondContact O-N 3.1Å; Y1372-W1375 WeakPolarHBondContact O-CB 3.3Å; Y1372-W1375 PolarHBondContact O-N 3.13Å; Y1372-L1376 WeakPolarHBondContact O-CG 3.23Å; Y1372-L1376 PolarHBondContact O-N 3.11Å |
| 1373 | A | 87.8 | Confident | 82.7 | Confident | 25.6 Ų | 25.6 | 43.3 Ų | 43.3 | 21% | 0.212 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1360 R1369 L1370 L1371 W1375 L1376 G1377 R2004 V2008 L2032 | L1360-A1373 HydrophobicContact CD1-CB 3.92Å; L1360-A1373 HydrophobicContact CD2-CB 3.93Å; R1369-A1373 WeakPolarHBondContact O-CB 3.35Å; R1369-A1373 PolarHBondContact O-N 3.36Å; L1370-A1373 WeakPolarHBondContact O-CB 3.34Å; L1370-A1373 PolarHBondContact O-N 3Å; L1371-A1373 VanDerWaalsContact C-N 3.33Å; L1371-A1373 PolarHBondContact O-N 3.5Å; A1373-W1375 VanDerWaalsContact C-N 3.31Å; A1373-W1375 PolarHBondContact O-N 3.29Å; A1373-L1376 PolarHBondContact O-N 3.26Å; A1373-G1377 PolarHBondContact O-N 3.03Å; A1373-R2004 HydrophobicContact CB-CB 3.86Å; A1373-R2004 HydrophobicContact CB-CG 4.21Å; A1373-V2008 HydrophobicContact CB-CG2 3.53Å; A1373-L2032 HydrophobicContact CB-CD2 4.06Å |
| 1374 | Q | 85.9 | Confident | 82.4 | Confident | 69.2 Ų | 69.2 | 46.1 Ų | 46.1 | 32% | 0.323 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 174.6 | -75.4 | 172 | -11.9 | 0 | 0 | 111.1 | V1288 L1370 L1371 Y1372 L1376 G1377 N1378 | V1288-Q1374 HydrophobicContact CG1-CB 4.26Å; V1288-Q1374 HydrophobicContact CG1-CG 4.47Å; V1288-Q1374 HydrophobicContact CG2-CB 4.13Å; L1370-Q1374 VanDerWaalsContact CD2-CD 3.44Å; L1370-Q1374 HydrophobicContact CD2-CG 4.2Å; L1370-Q1374 WeakPolarHBondContact O-CB 3.36Å; L1370-Q1374 VanDerWaalsContact O-CG 3.26Å; L1370-Q1374 WeakPolarHBondContact O-CG 3.33Å; L1370-Q1374 PolarHBondContact O-N 3.05Å; L1371-Q1374 PolarHBondContact O-N 3.12Å; Y1372-Q1374 VanDerWaalsContact C-N 3.33Å; Y1372-Q1374 PolarHBondContact O-N 3.1Å; Q1374-L1376 VanDerWaalsContact C-N 3.35Å; Q1374-L1376 PolarHBondContact O-N 2.92Å; Q1374-G1377 PolarHBondContact O-N 3.27Å; Q1374-N1378 VanDerWaalsContact O-CB 3.32Å; Q1374-N1378 WeakPolarHBondContact O-CB 3.27Å; Q1374-N1378 PolarHBondContact O-N 3.25Å; Q1374-N1378 PolarHBondContact O-ND2 3.04Å; Q1374-N1378 VanDerWaalsContact O-ND2 3.09Å; Q1374-N1378 PolarHBondContact O-OD1 3.36Å |
| 1375 | W | 84.8 | Confident | 82.2 | Confident | 9.6 Ų | 9.6 | 48.8 Ų | 48.8 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 175.3 | -95 | 71 | 0 | 0 | 0 | 112.9 | W1268 L1272 T1283 L1284 E1287 L1304 I1352 L1356 L1371 Y1372 A1373 G1377 N1378 L1379 | W1268-W1375 HydrophobicContact CB-CH2 4.17Å; W1268-W1375 HydrophobicContact CD2-CH2 4.18Å; W1268-W1375 AromaticContact CG-CH2 3.91Å; W1268-W1375 HydrophobicContact CG-CH2 4.07Å; L1272-W1375 HydrophobicContact CD1-CE3 4.38Å; L1272-W1375 HydrophobicContact CD1-CH2 4.15Å; L1272-W1375 HydrophobicContact CD1-CZ3 4.07Å; T1283-W1375 WeakPolarHBondContact O-CZ2 3.11Å; L1284-W1375 VanDerWaalsContact CA-NE1 3.29Å; L1284-W1375 HydrophobicContact CD2-CB 4.3Å; L1284-W1375 VanDerWaalsContact CD2-CD1 3.46Å; L1284-W1375 HydrophobicContact CD2-CD2 3.94Å; L1284-W1375 HydrophobicContact CD2-CG 3.64Å; L1284-W1375 PolarHBondContact O-NE1 3.14Å; E1287-W1375 HydrophobicContact CB-CZ2 3.97Å; E1287-W1375 HydrophobicContact CG-CH2 4.12Å; E1287-W1375 HydrophobicContact CG-CZ2 3.55Å; E1287-W1375 VanDerWaalsContact CG-CZ2 3.44Å; L1304-W1375 HydrophobicContact CB-CH2 3.84Å; L1304-W1375 HydrophobicContact CB-CZ3 4.19Å; L1304-W1375 HydrophobicContact CD1-CB 4.4Å; L1304-W1375 HydrophobicContact CD1-CD2 3.54Å; L1304-W1375 HydrophobicContact CD1-CE3 3.73Å; L1304-W1375 VanDerWaalsContact CD1-CE3 3.47Å; L1304-W1375 HydrophobicContact CD1-CG 3.92Å; L1304-W1375 HydrophobicContact CD1-CH2 3.58Å; L1304-W1375 VanDerWaalsContact CD1-CH2 3.48Å; L1304-W1375 HydrophobicContact CD1-CZ2 4.29Å; L1304-W1375 HydrophobicContact CD1-CZ3 4.06Å; L1304-W1375 VanDerWaalsContact CD1-CZ3 3.5Å; L1304-W1375 HydrophobicContact CD2-CD2 4.39Å; L1304-W1375 HydrophobicContact CD2-CE3 4.02Å; L1304-W1375 HydrophobicContact CD2-CH2 4.07Å; L1304-W1375 HydrophobicContact CD2-CZ2 4.27Å; L1304-W1375 HydrophobicContact CD2-CZ3 3.87Å; L1304-W1375 HydrophobicContact CG-CH2 4.17Å; L1304-W1375 HydrophobicContact CG-CZ3 4.43Å; I1352-W1375 HydrophobicContact CG2-CZ3 4.22Å; L1356-W1375 HydrophobicContact CD1-CB 4.29Å; L1356-W1375 HydrophobicContact CD1-CE3 4.08Å; L1356-W1375 HydrophobicContact CD2-CB 4.06Å; L1356-W1375 HydrophobicContact CD2-CD2 4.19Å; L1356-W1375 HydrophobicContact CD2-CE3 4.06Å; L1356-W1375 HydrophobicContact CD2-CG 4.26Å; L1371-W1375 VanDerWaalsContact O-CD1 3.23Å; L1371-W1375 PolarHBondContact O-N 3.12Å; Y1372-W1375 WeakPolarHBondContact O-CB 3.3Å; Y1372-W1375 PolarHBondContact O-N 3.13Å; A1373-W1375 VanDerWaalsContact C-N 3.31Å; A1373-W1375 PolarHBondContact O-N 3.29Å; W1375-G1377 VanDerWaalsContact C-N 3.32Å; W1375-G1377 PolarHBondContact O-N 3.24Å; W1375-N1378 PolarHBondContact O-N 3.15Å; W1375-L1379 WeakPolarHBondContact O-CB 3.39Å; W1375-L1379 PolarHBondContact O-N 3.11Å |
| 1376 | L | 85 | Confident | 81.6 | Confident | 24.4 Ų | 24.4 | 49.3 Ų | 49.3 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 176.3 | -73.1 | 173 | 0 | 0 | 0 | 111.9 | L1356 L1357 L1360 Y1372 A1373 Q1374 N1378 L1379 G1380 L2011 L2032 | L1356-L1376 HydrophobicContact CB-CD1 4.41Å; L1356-L1376 HydrophobicContact CB-CD2 3.99Å; L1356-L1376 HydrophobicContact CB-CG 4.27Å; L1356-L1376 HydrophobicContact CD1-CD2 4Å; L1356-L1376 HydrophobicContact CD1-CG 4.43Å; L1357-L1376 HydrophobicContact CD2-CD1 4.02Å; L1357-L1376 HydrophobicContact CD2-CD2 4.32Å; L1357-L1376 HydrophobicContact CG-CD1 4.41Å; L1357-L1376 HydrophobicContact CG-CD2 4.38Å; L1360-L1376 HydrophobicContact CB-CD1 4.26Å; L1360-L1376 HydrophobicContact CD1-CD1 3.17Å; L1360-L1376 HydrophobicContact CD1-CG 3.95Å; L1360-L1376 HydrophobicContact CD2-CD1 3.71Å; Y1372-L1376 WeakPolarHBondContact O-CG 3.23Å; Y1372-L1376 PolarHBondContact O-N 3.11Å; A1373-L1376 PolarHBondContact O-N 3.26Å; Q1374-L1376 VanDerWaalsContact C-N 3.35Å; Q1374-L1376 PolarHBondContact O-N 2.92Å; L1376-N1378 VanDerWaalsContact C-N 3.33Å; L1376-N1378 PolarHBondContact O-N 3.3Å; L1376-L1379 WeakPolarHBondContact O-CB 3.19Å; L1376-L1379 PolarHBondContact O-N 3.08Å; L1376-G1380 PolarHBondContact O-N 3.11Å; L1376-L2011 HydrophobicContact CD1-CD2 3.5Å; L1376-L2032 HydrophobicContact CB-CD1 4.23Å |
| 1377 | G | 83.8 | Confident | 80.9 | Confident | 33.8 Ų | 33.8 | 44.5 Ų | 44.5 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1373 Q1374 W1375 L1379 G1380 S2036 R2079 | A1373-G1377 PolarHBondContact O-N 3.03Å; Q1374-G1377 PolarHBondContact O-N 3.27Å; W1375-G1377 VanDerWaalsContact C-N 3.32Å; W1375-G1377 PolarHBondContact O-N 3.24Å; G1377-L1379 PolarHBondContact O-N 2.92Å; G1377-G1380 PolarHBondContact O-N 3.12Å; G1377-G1380 VanDerWaalsContact O-N 3.15Å; G1377-S2036 PolarHBondContact O-OG 3.21Å; G1377-R2079 PolarHBondContact O-NH2 3.17Å |
| 1378 | N | 78.2 | Confident | 79.8 | Confident | 29.4 Ų | 29.4 | 44.4 Ų | 44.4 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.7 | -32.5 | 179.6 | -67.3 | -24.5 | 0 | 0 | 0 | 113.4 | S1302 L1304 W1305 P1308 Q1374 W1375 L1376 G1380 S2036 | S1302-N1378 VanDerWaalsContact CB-ND2 3.34Å; S1302-N1378 WeakPolarHBondContact CB-ND2 3.42Å; S1302-N1378 VanDerWaalsContact OG-CG 3.32Å; S1302-N1378 PolarHBondContact OG-ND2 3.38Å; S1302-N1378 PolarHBondContact OG-OD1 3.45Å; L1304-N1378 HydrophobicContact CB-CB 4.09Å; L1304-N1378 HydrophobicContact CD1-CB 4.14Å; W1305-N1378 HydrophobicContact CD2-CB 4Å; W1305-N1378 HydrophobicContact CE3-CB 3.85Å; W1305-N1378 HydrophobicContact CG-CB 4.39Å; W1305-N1378 HydrophobicContact CH2-CB 4.27Å; W1305-N1378 WeakPolarHBondContact CH2-ND2 3.33Å; W1305-N1378 WeakPolarHBondContact CH2-OD1 3.33Å; W1305-N1378 WeakPolarHBondContact CZ2-ND2 3.39Å; W1305-N1378 HydrophobicContact CZ3-CB 4.28Å; W1305-N1378 WeakPolarHBondContact CZ3-ND2 3.47Å; W1305-N1378 WeakPolarHBondContact CZ3-OD1 3.46Å; P1308-N1378 WeakPolarHBondContact CG-O 3.36Å; Q1374-N1378 VanDerWaalsContact O-CB 3.32Å; Q1374-N1378 WeakPolarHBondContact O-CB 3.27Å; Q1374-N1378 PolarHBondContact O-N 3.25Å; Q1374-N1378 PolarHBondContact O-ND2 3.04Å; Q1374-N1378 VanDerWaalsContact O-ND2 3.09Å; Q1374-N1378 PolarHBondContact O-OD1 3.36Å; W1375-N1378 PolarHBondContact O-N 3.15Å; L1376-N1378 VanDerWaalsContact C-N 3.33Å; L1376-N1378 PolarHBondContact O-N 3.3Å; N1378-G1380 PolarHBondContact O-N 3.3Å; N1378-S2036 WeakPolarHBondContact OD1-CB 3.35Å |
| 1379 | L | 78.8 | Confident | 78.5 | Confident | 10.4 Ų | 10.4 | 47.7 Ų | 47.7 | 5% | 0.054 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -28.5 | 172.1 | -167.2 | 81.5 | 0 | 0 | 0 | 111.1 | L1307 P1308 L1349 V1353 W1375 L1376 G1377 V1382 | L1307-L1379 HydrophobicContact CB-CD1 4.26Å; L1307-L1379 HydrophobicContact CD1-CD1 3.87Å; L1307-L1379 HydrophobicContact CD2-CD1 3.66Å; P1308-L1379 VanDerWaalsContact CG-O 3.23Å; P1308-L1379 WeakPolarHBondContact CG-O 3.37Å; L1349-L1379 HydrophobicContact CD1-CD1 4.13Å; L1349-L1379 HydrophobicContact CD2-CD2 4.45Å; L1349-L1379 HydrophobicContact CG-CD1 4.32Å; V1353-L1379 HydrophobicContact CG2-CD2 3.5Å; W1375-L1379 WeakPolarHBondContact O-CB 3.39Å; W1375-L1379 PolarHBondContact O-N 3.11Å; L1376-L1379 WeakPolarHBondContact O-CB 3.19Å; L1376-L1379 PolarHBondContact O-N 3.08Å; G1377-L1379 PolarHBondContact O-N 2.92Å; L1379-V1382 HydrophobicContact CD1-CG2 4.37Å; L1379-V1382 HydrophobicContact CD2-CB 4.47Å; L1379-V1382 HydrophobicContact CD2-CG2 3.69Å; L1379-V1382 VanDerWaalsContact CD2-CG2 3.47Å; L1379-V1382 HydrophobicContact CG-CG2 4Å |
| 1380 | G | 77.1 | Confident | 76.7 | Confident | 25.2 Ų | 25.2 | 47.1 Ų | 47.1 | 26% | 0.26 | 28% | 0.278 | S | S | . | . | trans | 74.9 | -179.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1376 G1377 N1378 V1382 R2079 | L1376-G1380 PolarHBondContact O-N 3.11Å; G1377-G1380 PolarHBondContact O-N 3.12Å; G1377-G1380 VanDerWaalsContact O-N 3.15Å; N1378-G1380 PolarHBondContact O-N 3.3Å; G1380-V1382 PolarHBondContact O-N 3.05Å; G1380-V1382 VanDerWaalsContact O-N 3.11Å; G1380-R2079 VanDerWaalsContact CA-NH2 3.25Å | ||
| 1381 | A | 78.8 | Confident | 74.6 | Confident | 68 Ų | 68 | 50 Ų | 50 | 56% | 0.562 | 29% | 0.294 | S | S | * | . | trans | -76.1 | 94 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y2026 I2029 V2030 S2083 | A1381-Y2026 HydrophobicContact CB-CE2 4.04Å; A1381-Y2026 PolarHBondContact O-OH 3.1Å; A1381-I2029 HydrophobicContact CB-CG2 4.14Å; A1381-V2030 HydrophobicContact CB-CB 4.23Å; A1381-V2030 HydrophobicContact CB-CG2 3.53Å; A1381-S2083 WeakPolarHBondContact O-CA 3.33Å; A1381-S2083 PolarHBondContact O-OG 2.87Å | ||
| 1382 | V | 77 | Confident | 72.4 | Confident | 18.6 Ų | 18.6 | 52.1 Ų | 52.1 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | trans | -83.6 | 129.4 | 171.9 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | P1308 L1311 L1379 G1380 P1384 K1386 L1387 Y2022 Y2026 V2082 | P1308-V1382 HydrophobicContact CG-CG2 4.46Å; L1311-V1382 HydrophobicContact CD1-CB 4.45Å; L1311-V1382 HydrophobicContact CD1-CG1 3.97Å; L1311-V1382 HydrophobicContact CD1-CG2 3.77Å; L1311-V1382 HydrophobicContact CD2-CB 4.24Å; L1311-V1382 HydrophobicContact CD2-CG1 3.49Å; L1311-V1382 VanDerWaalsContact CD2-CG1 3.47Å; L1311-V1382 HydrophobicContact CD2-CG2 3.89Å; L1379-V1382 HydrophobicContact CD1-CG2 4.37Å; L1379-V1382 HydrophobicContact CD2-CB 4.47Å; L1379-V1382 HydrophobicContact CD2-CG2 3.69Å; L1379-V1382 VanDerWaalsContact CD2-CG2 3.47Å; L1379-V1382 HydrophobicContact CG-CG2 4Å; G1380-V1382 PolarHBondContact O-N 3.05Å; G1380-V1382 VanDerWaalsContact O-N 3.11Å; V1382-P1384 VanDerWaalsContact O-CD 3.31Å; V1382-P1384 WeakPolarHBondContact O-CD 3.38Å; V1382-K1386 HydrophobicContact CG1-CB 4.28Å; V1382-L1387 HydrophobicContact CB-CD1 4.19Å; V1382-L1387 HydrophobicContact CB-CD2 4.35Å; V1382-L1387 HydrophobicContact CB-CG 4.23Å; V1382-L1387 HydrophobicContact CG1-CD1 3.98Å; V1382-L1387 HydrophobicContact CG1-CD2 3.87Å; V1382-L1387 HydrophobicContact CG1-CG 3.8Å; V1382-Y2022 PolarHBondContact N-OH 3.49Å; V1382-Y2022 VanDerWaalsContact N-OH 3.17Å; V1382-Y2022 WeakPolarHBondContact O-CE1 3.46Å; V1382-Y2022 PolarHBondContact O-OH 3.38Å; V1382-Y2026 VanDerWaalsContact O-CE2 3.28Å; V1382-Y2026 WeakPolarHBondContact O-CE2 3.24Å; V1382-V2082 HydrophobicContact CB-CG1 4.05Å; V1382-V2082 HydrophobicContact CG1-CG1 3.65Å; V1382-V2082 HydrophobicContact CG2-CG1 3.84Å | ||
| 1383 | D | 75.6 | Confident | 69.7 | Low | 49.2 Ų | 49.2 | 59.1 Ų | 59.1 | 26% | 0.263 | 35% | 0.353 | S | S | . | . | trans | -59.1 | 119.4 | 174.5 | 179.5 | -3.7 | 0 | 0 | 0 | 110.1 | C1385 K1386 V2082 | D1383-C1385 PolarHBondContact O-N 3.36Å; D1383-C1385 VanDerWaalsContact O-N 3.07Å; D1383-C1385 WeakPolarHBondContact OD1-CB 3.42Å; D1383-C1385 PolarHBondContact OD1-N 3.17Å; D1383-C1385 PolarHBondContact OD1-SG 3.08Å; D1383-C1385 VanDerWaalsContact OD1-SG 3.39Å; D1383-K1386 HydrophobicContact CB-CB 4.42Å; D1383-K1386 HydrophobicContact CB-CD 3.82Å; D1383-K1386 HydrophobicContact CB-CG 4Å; D1383-K1386 WeakPolarHBondContact O-CB 3.38Å; D1383-K1386 PolarHBondContact O-N 3.04Å; D1383-K1386 WeakPolarHBondContact OD2-CE 3.47Å; D1383-V2082 PolarHBondContact N-O 3.02Å | ||
| 1384 | P | 73.1 | Confident | 67.1 | Low | 66.8 Ų | 66.8 | 62.9 Ų | 62.9 | 43% | 0.434 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -59.3 | -26.8 | -178.7 | 6.2 | -9.1 | 0 | 0 | 0 | 112.8 | V1382 K1386 L1387 L1389 Y2022 I2023 Y2026 | V1382-P1384 VanDerWaalsContact O-CD 3.31Å; V1382-P1384 WeakPolarHBondContact O-CD 3.38Å; P1384-K1386 PolarHBondContact O-N 3.34Å; P1384-K1386 VanDerWaalsContact O-N 3.14Å; P1384-L1387 PolarHBondContact O-N 3.05Å; P1384-L1387 VanDerWaalsContact O-N 3.12Å; P1384-L1389 HydrophobicContact CB-CD1 4.41Å; P1384-Y2022 HydrophobicContact CB-CD1 4.26Å; P1384-Y2022 HydrophobicContact CB-CE1 4.44Å; P1384-Y2022 HydrophobicContact CG-CD1 3.96Å; P1384-Y2022 HydrophobicContact CG-CE1 3.92Å; P1384-I2023 HydrophobicContact CB-CG1 3.89Å; P1384-I2023 HydrophobicContact CG-CG1 4.31Å; P1384-Y2026 HydrophobicContact CG-CD2 3.95Å; P1384-Y2026 HydrophobicContact CG-CE2 4.41Å; P1384-Y2026 HydrophobicContact CG-CG 4.44Å |
| 1385 | C | 73.1 | Confident | 64.5 | Low | 111.8 Ų | 111.8 | 67.4 Ų | 67.4 | 76% | 0.755 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -65.5 | -19.7 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | D1383 | D1383-C1385 PolarHBondContact O-N 3.36Å; D1383-C1385 VanDerWaalsContact O-N 3.07Å; D1383-C1385 WeakPolarHBondContact OD1-CB 3.42Å; D1383-C1385 PolarHBondContact OD1-N 3.17Å; D1383-C1385 PolarHBondContact OD1-SG 3.08Å; D1383-C1385 VanDerWaalsContact OD1-SG 3.39Å |
| 1386 | K | 69.3 | Low | 61.9 | Low | 59.6 Ų | 59.6 | 73 Ų | 73 | 26% | 0.259 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -90 | -13.8 | 178.2 | -59.3 | 174.5 | -176.5 | 174.6 | 0 | 112.5 | D1312 I1315 V1382 D1383 P1384 R2081 V2082 S2083 | D1312-K1386 IonicContact OD1-NZ 2.85Å; D1312-K1386 PolarHBondContact OD1-NZ 3.3Å; I1315-K1386 HydrophobicContact CB-CD 4.27Å; I1315-K1386 HydrophobicContact CD1-CB 4.21Å; I1315-K1386 HydrophobicContact CD1-CD 3.6Å; I1315-K1386 VanDerWaalsContact CD1-CD 3.47Å; I1315-K1386 HydrophobicContact CD1-CG 4.16Å; I1315-K1386 HydrophobicContact CG1-CD 4.39Å; I1315-K1386 HydrophobicContact CG2-CB 4.36Å; I1315-K1386 HydrophobicContact CG2-CD 3.82Å; I1315-K1386 HydrophobicContact CG2-CG 4.19Å; V1382-K1386 HydrophobicContact CG1-CB 4.28Å; D1383-K1386 HydrophobicContact CB-CB 4.42Å; D1383-K1386 HydrophobicContact CB-CD 3.82Å; D1383-K1386 HydrophobicContact CB-CG 4Å; D1383-K1386 WeakPolarHBondContact O-CB 3.38Å; D1383-K1386 PolarHBondContact O-N 3.04Å; D1383-K1386 WeakPolarHBondContact OD2-CE 3.47Å; P1384-K1386 PolarHBondContact O-N 3.34Å; P1384-K1386 VanDerWaalsContact O-N 3.14Å; K1386-R2081 PolarHBondContact NZ-O 3.47Å; K1386-V2082 PolarHBondContact NZ-O 3.4Å; K1386-S2083 PolarHBondContact NZ-O 3.38Å |
| 1387 | L | 68.5 | Low | 59.3 | Low | 22 Ų | 22 | 74.4 Ų | 74.4 | 12% | 0.115 | 45% | 0.448 | C | S | . | . | trans | -96.5 | 112.3 | 178.8 | -63 | 178.1 | 0 | 0 | 0 | 109.6 | L1349 A1350 V1353 V1382 P1384 L1389 Y2022 | L1349-L1387 HydrophobicContact CD2-CD2 3.67Å; L1349-L1387 VanDerWaalsContact CD2-CD2 3.41Å; L1349-L1387 HydrophobicContact CG-CD2 4.09Å; A1350-L1387 HydrophobicContact CB-CB 4.28Å; A1350-L1387 HydrophobicContact CB-CD2 4.2Å; V1353-L1387 HydrophobicContact CB-CD1 4.37Å; V1353-L1387 HydrophobicContact CG1-CD1 4.13Å; V1353-L1387 HydrophobicContact CG2-CD1 4.26Å; V1382-L1387 HydrophobicContact CB-CD1 4.19Å; V1382-L1387 HydrophobicContact CB-CD2 4.35Å; V1382-L1387 HydrophobicContact CB-CG 4.23Å; V1382-L1387 HydrophobicContact CG1-CD1 3.98Å; V1382-L1387 HydrophobicContact CG1-CD2 3.87Å; V1382-L1387 HydrophobicContact CG1-CG 3.8Å; P1384-L1387 PolarHBondContact O-N 3.05Å; P1384-L1387 VanDerWaalsContact O-N 3.12Å; L1387-L1389 HydrophobicContact CB-CD1 4.34Å; L1387-L1389 HydrophobicContact CB-CD2 4.36Å; L1387-L1389 HydrophobicContact CB-CG 4.04Å; L1387-L1389 HydrophobicContact CD1-CD2 4.37Å; L1387-L1389 HydrophobicContact CD1-CG 4.49Å; L1387-L1389 PolarHBondContact O-N 3.24Å; L1387-Y2022 HydrophobicContact CD1-CD1 4.24Å; L1387-Y2022 HydrophobicContact CD1-CE1 3.76Å | ||
| 1388 | Y | 62.9 | Low | 56.8 | Low | 146.4 Ų | 146.4 | 82.1 Ų | 82.1 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | trans | -75.8 | 81.5 | 165.9 | -69.8 | -82.8 | 0 | 0 | 0 | 108.8 | A1350 S1390 | A1350-Y1388 WeakPolarHBondContact CB-O 3.41Å; Y1388-S1390 PolarHBondContact O-N 3.11Å; Y1388-S1390 VanDerWaalsContact O-N 3.13Å | ||
| 1389 | L | 56.8 | Low | 54.7 | Low | 69.6 Ų | 69.6 | 87.6 Ų | 87.6 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | trans | -62.6 | 115.5 | 169.9 | -67.4 | 167.4 | 0 | 0 | 0 | 107.4 | A1350 A1354 P1384 L1387 N1391 Y2022 | A1350-L1389 HydrophobicContact CB-CD2 4.24Å; A1354-L1389 HydrophobicContact CB-CD2 4.25Å; P1384-L1389 HydrophobicContact CB-CD1 4.41Å; L1387-L1389 HydrophobicContact CB-CD1 4.34Å; L1387-L1389 HydrophobicContact CB-CD2 4.36Å; L1387-L1389 HydrophobicContact CB-CG 4.04Å; L1387-L1389 HydrophobicContact CD1-CD2 4.37Å; L1387-L1389 HydrophobicContact CD1-CG 4.49Å; L1387-L1389 PolarHBondContact O-N 3.24Å; L1389-N1391 PolarHBondContact O-N 3.18Å; L1389-Y2022 HydrophobicContact CD1-CD1 3.73Å; L1389-Y2022 HydrophobicContact CD1-CG 4.03Å | ||
| 1390 | S | 50.9 | Low | 52.5 | Low | 56.6 Ų | 56.6 | 94.7 Ų | 94.7 | 40% | 0.396 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 32.6 | 179.2 | -25.9 | 0 | 0 | 0 | 0 | 111.4 | D1351 Y1388 G1392 P2019 | D1351-S1390 PolarHBondContact OD1-OG 3.01Å; Y1388-S1390 PolarHBondContact O-N 3.11Å; Y1388-S1390 VanDerWaalsContact O-N 3.13Å; S1390-G1392 VanDerWaalsContact C-N 3.3Å; S1390-G1392 PolarHBondContact O-N 3.22Å; S1390-P2019 WeakPolarHBondContact O-CB 3Å; S1390-P2019 WeakPolarHBondContact O-CG 3.32Å |
| 1391 | N | 43.9 | Very low | 50.5 | Low | 131.4 Ų | 131.4 | 101.6 Ų | 101.6 | 70% | 0.703 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 19.8 | -178.1 | -74.2 | 1.1 | 0 | 0 | 0 | 113.4 | L1389 E1393 | L1389-N1391 PolarHBondContact O-N 3.18Å; N1391-E1393 PolarHBondContact O-N 3.42Å |
| 1392 | G | 39.4 | Very low | 48.8 | Very low | 64.8 Ų | 64.8 | 106.1 Ų | 106.1 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -128.9 | -23.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | S1390 V1394 | S1390-G1392 VanDerWaalsContact C-N 3.3Å; S1390-G1392 PolarHBondContact O-N 3.22Å; G1392-V1394 PolarHBondContact O-N 3.11Å |
| 1393 | E | 33.6 | Very low | 47.7 | Very low | 147.8 Ų | 147.8 | 107.7 Ų | 107.7 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | trans | -100.8 | 105.9 | -172.6 | -71.3 | -171.1 | 167.7 | 0 | 0 | 111.9 | R1343 N1391 K1395 | R1343-E1393 IonicContact NH2-OE2 3.17Å; R1343-E1393 PolarHBondContact NH2-OE2 2.89Å; R1343-E1393 VanDerWaalsContact NH2-OE2 3.09Å; N1391-E1393 PolarHBondContact O-N 3.42Å; E1393-K1395 PolarHBondContact O-N 3.23Å | ||
| 1394 | V | 32.4 | Very low | 47.1 | Very low | 105.4 Ų | 105.4 | 108.2 Ų | 108.2 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | trans | -37.7 | 89.3 | 162.7 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | G1392 T1396 | G1392-V1394 PolarHBondContact O-N 3.11Å; V1394-T1396 HydrophobicContact CG1-CG2 4.12Å; V1394-T1396 PolarHBondContact O-N 3.17Å; V1394-T1396 VanDerWaalsContact O-N 3.1Å | ||
| 1395 | K | 30.9 | Very low | 47.1 | Very low | 163.8 Ų | 163.8 | 106.4 Ų | 106.4 | 71% | 0.712 | 57% | 0.573 | S | S | * | * | trans | -68 | 100.4 | 158.3 | -71.5 | -177.5 | -179.1 | 175.6 | 0 | 107.3 | E1393 G1397 | E1393-K1395 PolarHBondContact O-N 3.23Å; K1395-G1397 PolarHBondContact O-N 3.17Å | ||
| 1396 | T | 31 | Very low | 47.5 | Very low | 127.4 Ų | 127.4 | 101.3 Ų | 101.3 | 78% | 0.782 | 54% | 0.538 | S | S | * | . | trans | -63 | 87.4 | 164.5 | 43.6 | 0 | 0 | 0 | 0 | 109.3 | V1394 Q1398 | V1394-T1396 HydrophobicContact CG1-CG2 4.12Å; V1394-T1396 PolarHBondContact O-N 3.17Å; V1394-T1396 VanDerWaalsContact O-N 3.1Å; T1396-Q1398 PolarHBondContact O-N 3.14Å; T1396-Q1398 VanDerWaalsContact O-N 3.14Å | ||
| 1397 | G | 30 | Very low | 47.8 | Very low | 55 Ų | 55 | 98.4 Ų | 98.4 | 57% | 0.567 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -151.1 | 112.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K1395 N1399 | K1395-G1397 PolarHBondContact O-N 3.17Å; G1397-N1399 PolarHBondContact O-N 3.32Å |
| 1398 | Q | 32 | Very low | 48.1 | Very low | 194.6 Ų | 194.6 | 98.8 Ų | 98.8 | 91% | 0.909 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 6.9 | 33.3 | 174.1 | -61.5 | -177.9 | -19.4 | 0 | 0 | 118.4 | T1396 E1400 | T1396-Q1398 PolarHBondContact O-N 3.14Å; T1396-Q1398 VanDerWaalsContact O-N 3.14Å; Q1398-E1400 PolarHBondContact O-N 3Å; Q1398-E1400 VanDerWaalsContact O-N 3.1Å |
| 1399 | N | 33.3 | Very low | 48.8 | Very low | 146 Ų | 146 | 92.1 Ų | 92.1 | 78% | 0.781 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -112.2 | 70.1 | 171 | -72.6 | -8.1 | 0 | 0 | 0 | 113.8 | G1397 K1401 | G1397-N1399 PolarHBondContact O-N 3.32Å; N1399-K1401 PolarHBondContact O-N 2.94Å |
| 1400 | E | 33.2 | Very low | 49.8 | Very low | 158 Ų | 158 | 94.2 Ų | 94.2 | 74% | 0.738 | 51% | 0.505 | S | S | * | . | trans | -69.2 | 73 | 173.9 | -62.9 | -174.2 | 149.1 | 0 | 0 | 113.5 | Q1398 E1402 R1411 | Q1398-E1400 PolarHBondContact O-N 3Å; Q1398-E1400 VanDerWaalsContact O-N 3.1Å; E1400-E1402 VanDerWaalsContact C-N 3.33Å; E1400-E1402 PolarHBondContact O-N 3.25Å; E1400-R1411 IonicContact OE1-NH1 2.63Å; E1400-R1411 PolarHBondContact OE1-NH1 3.39Å | ||
| 1401 | K | 35.4 | Very low | 51.3 | Low | 171 Ų | 171 | 95.7 Ų | 95.7 | 74% | 0.743 | 50% | 0.502 | S | S | * | . | trans | -62.3 | 95.7 | 155.2 | -70 | -176.3 | 177.8 | -174.3 | 0 | 107.7 | N1399 S1403 | N1399-K1401 PolarHBondContact O-N 2.94Å; K1401-S1403 PolarHBondContact O-N 3.14Å | ||
| 1402 | E | 42.3 | Very low | 53.3 | Low | 161.8 Ų | 161.8 | 89.4 Ų | 89.4 | 76% | 0.756 | 47% | 0.468 | S | S | * | . | trans | -62.1 | 59.3 | 171.7 | -71.6 | -178.4 | 158.8 | 0 | 0 | 110.3 | E1400 V1404 R1411 | E1400-E1402 VanDerWaalsContact C-N 3.33Å; E1400-E1402 PolarHBondContact O-N 3.25Å; E1402-V1404 PolarHBondContact O-N 3.16Å; E1402-R1411 IonicContact OE1-CZ 3.2Å; E1402-R1411 IonicContact OE1-NH1 3.46Å; E1402-R1411 PolarHBondContact OE1-NH1 3.31Å; E1402-R1411 IonicContact OE1-NH2 2.65Å; E1402-R1411 PolarHBondContact OE1-NH2 2.77Å; E1402-R1411 IonicContact OE2-CZ 3.99Å; E1402-R1411 IonicContact OE2-NH1 3.68Å; E1402-R1411 PolarHBondContact OE2-NH1 3.24Å; E1402-R1411 IonicContact OE2-NH2 3.62Å | ||
| 1403 | S | 53.8 | Low | 55.5 | Low | 52.2 Ų | 52.2 | 86.4 Ų | 86.4 | 37% | 0.365 | 44% | 0.437 | S | S | . | . | trans | -62.6 | 106.7 | 177.5 | 55.4 | 0 | 0 | 0 | 0 | 108.3 | K1401 I1405 | K1401-S1403 PolarHBondContact O-N 3.14Å; S1403-I1405 VanDerWaalsContact O-CG1 3.32Å; S1403-I1405 WeakPolarHBondContact O-CG1 3.21Å; S1403-I1405 PolarHBondContact O-N 3.24Å; S1403-I1405 VanDerWaalsContact O-N 3.09Å | ||
| 1404 | V | 64 | Low | 58 | Low | 59.8 Ų | 59.8 | 82 Ų | 82 | 36% | 0.362 | 42% | 0.415 | S | S | . | . | trans | -48 | 114.2 | 173 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | E1402 F1406 Y1646 | E1402-V1404 PolarHBondContact O-N 3.16Å; V1404-F1406 HydrophobicContact CB-CE2 4.47Å; V1404-F1406 HydrophobicContact CB-CZ 4.23Å; V1404-F1406 HydrophobicContact CG1-CD1 4.42Å; V1404-F1406 HydrophobicContact CG1-CE1 3.9Å; V1404-F1406 HydrophobicContact CG1-CE2 4.47Å; V1404-F1406 HydrophobicContact CG1-CZ 3.92Å; V1404-F1406 VanDerWaalsContact O-CD2 3.28Å; V1404-F1406 WeakPolarHBondContact O-CD2 3.32Å; V1404-F1406 VanDerWaalsContact O-CE2 3.22Å; V1404-F1406 WeakPolarHBondContact O-CE2 3.28Å; V1404-Y1646 HydrophobicContact CG1-CD2 3.74Å; V1404-Y1646 HydrophobicContact CG1-CE2 3.64Å; V1404-Y1646 VanDerWaalsContact CG1-CE2 3.49Å | ||
| 1405 | I | 72.3 | Confident | 60.6 | Low | 30.2 Ų | 30.2 | 78.9 Ų | 78.9 | 16% | 0.155 | 39% | 0.394 | C | S | . | . | trans | -86.9 | 128.9 | -175.2 | -60.7 | 176.7 | 0 | 0 | 0 | 108.1 | S1403 D1409 R1411 F1412 H1415 H1568 Y1646 | S1403-I1405 VanDerWaalsContact O-CG1 3.32Å; S1403-I1405 WeakPolarHBondContact O-CG1 3.21Å; S1403-I1405 PolarHBondContact O-N 3.24Å; S1403-I1405 VanDerWaalsContact O-N 3.09Å; I1405-D1409 HydrophobicContact CG2-CB 3.98Å; I1405-R1411 HydrophobicContact CD1-CB 4.35Å; I1405-R1411 HydrophobicContact CG2-CB 4.34Å; I1405-F1412 HydrophobicContact CG2-CB 4.37Å; I1405-F1412 HydrophobicContact CG2-CD2 4.46Å; I1405-H1415 HydrophobicContact CB-CB 4.43Å; I1405-H1415 HydrophobicContact CD1-CB 3.76Å; I1405-H1415 HydrophobicContact CG2-CB 4.19Å; I1405-H1568 PolarHBondContact O-CE1 3.2Å; I1405-H1568 VanDerWaalsContact O-CE1 3.25Å; I1405-Y1646 PolarHBondContact O-OH 3.47Å | ||
| 1406 | F | 81.4 | Confident | 63.4 | Low | 3.4 Ų | 3.4 | 71.2 Ų | 71.2 | 2% | 0.015 | 36% | 0.36 | C | S | . | . | trans | -102 | 161.3 | -179.8 | -57.2 | -78.6 | 0 | 0 | 0 | 111.5 | V1404 N1408 D1409 L1571 Y1646 H1649 W1650 I1653 | V1404-F1406 HydrophobicContact CB-CE2 4.47Å; V1404-F1406 HydrophobicContact CB-CZ 4.23Å; V1404-F1406 HydrophobicContact CG1-CD1 4.42Å; V1404-F1406 HydrophobicContact CG1-CE1 3.9Å; V1404-F1406 HydrophobicContact CG1-CE2 4.47Å; V1404-F1406 HydrophobicContact CG1-CZ 3.92Å; V1404-F1406 VanDerWaalsContact O-CD2 3.28Å; V1404-F1406 WeakPolarHBondContact O-CD2 3.32Å; V1404-F1406 VanDerWaalsContact O-CE2 3.22Å; V1404-F1406 WeakPolarHBondContact O-CE2 3.28Å; F1406-N1408 WeakPolarHBondContact CB-OD1 3.36Å; F1406-N1408 PolarHBondContact O-N 2.99Å; F1406-N1408 VanDerWaalsContact O-N 3.13Å; F1406-D1409 PolarHBondContact N-OD2 3.43Å; F1406-D1409 VanDerWaalsContact O-CB 3.29Å; F1406-D1409 WeakPolarHBondContact O-CB 3.37Å; F1406-D1409 PolarHBondContact O-N 3.26Å; F1406-L1571 HydrophobicContact CB-CD2 4.09Å; F1406-L1571 HydrophobicContact CD1-CD2 3.96Å; F1406-L1571 HydrophobicContact CG-CD2 4.43Å; F1406-Y1646 WeakPolarHBondContact CA-OH 2.97Å; F1406-Y1646 HydrophobicContact CD1-CD2 4.34Å; F1406-Y1646 AromaticContact CD1-CE1 3.94Å; F1406-Y1646 HydrophobicContact CD1-CE1 4.13Å; F1406-Y1646 AromaticContact CD1-CE2 3.59Å; F1406-Y1646 HydrophobicContact CD1-CE2 3.59Å; F1406-Y1646 VanDerWaalsContact CD1-CE2 3.5Å; F1406-Y1646 AromaticContact CD1-CZ 3.4Å; F1406-Y1646 VanDerWaalsContact CD1-CZ 3.43Å; F1406-Y1646 VanDerWaalsContact CD1-OH 3.27Å; F1406-Y1646 WeakPolarHBondContact CD1-OH 3.31Å; F1406-Y1646 AromaticContact CE1-CD2 4Å; F1406-Y1646 HydrophobicContact CE1-CD2 4.04Å; F1406-Y1646 HydrophobicContact CE1-CE1 4.36Å; F1406-Y1646 AromaticContact CE1-CE2 3.6Å; F1406-Y1646 HydrophobicContact CE1-CE2 3.6Å; F1406-Y1646 AromaticContact CE1-CZ 3.81Å; F1406-H1649 AromaticContact CZ-CD2 3.77Å; F1406-W1650 HydrophobicContact CD1-CB 3.87Å; F1406-W1650 AromaticContact CD1-CD1 3.35Å; F1406-W1650 VanDerWaalsContact CD1-CD1 3.41Å; F1406-W1650 AromaticContact CD1-CG 3.93Å; F1406-W1650 HydrophobicContact CD1-CG 3.93Å; F1406-W1650 AromaticContact CD2-CD1 3.74Å; F1406-W1650 HydrophobicContact CE1-CB 3.41Å; F1406-W1650 VanDerWaalsContact CE1-CB 3.43Å; F1406-W1650 AromaticContact CE1-CD1 3.71Å; F1406-W1650 AromaticContact CE1-CG 3.9Å; F1406-W1650 HydrophobicContact CE1-CG 3.95Å; F1406-W1650 AromaticContact CE2-CD1 3.93Å; F1406-W1650 AromaticContact CG-CD1 3.39Å; F1406-W1650 VanDerWaalsContact CG-CD1 3.42Å; F1406-W1650 HydrophobicContact CG-CG 4.37Å; F1406-W1650 VanDerWaalsContact CZ-CA 3.49Å; F1406-W1650 HydrophobicContact CZ-CB 3.81Å; F1406-W1650 AromaticContact CZ-CD1 3.91Å; F1406-W1650 HydrophobicContact CZ-CG 4.34Å; F1406-I1653 HydrophobicContact CE2-CD1 3.72Å; F1406-I1653 HydrophobicContact CZ-CD1 3.97Å | ||
| 1407 | V | 76.2 | Confident | 66.2 | Low | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30 | -179.5 | 169.5 | 0 | 0 | 0 | 0 | 113.2 | D1409 F1412 F1474 V1544 F1548 H1568 L1571 Q1572 | V1407-D1409 VanDerWaalsContact C-N 3.26Å; V1407-D1409 PolarHBondContact O-N 3.31Å; V1407-F1412 HydrophobicContact CB-CE1 4.36Å; V1407-F1412 HydrophobicContact CB-CE2 4.4Å; V1407-F1412 HydrophobicContact CB-CZ 4.21Å; V1407-F1412 HydrophobicContact CG1-CD1 4.34Å; V1407-F1412 HydrophobicContact CG1-CE1 3.95Å; V1407-F1412 HydrophobicContact CG1-CZ 4.2Å; V1407-F1412 HydrophobicContact CG2-CD1 4.2Å; V1407-F1412 HydrophobicContact CG2-CD2 4.47Å; V1407-F1412 HydrophobicContact CG2-CE1 4.2Å; V1407-F1412 HydrophobicContact CG2-CE2 4.07Å; V1407-F1412 HydrophobicContact CG2-CZ 3.84Å; V1407-F1474 VanDerWaalsContact O-CE1 3.28Å; V1407-F1474 WeakPolarHBondContact O-CE1 3.27Å; V1407-F1474 VanDerWaalsContact O-CZ 3.28Å; V1407-F1474 WeakPolarHBondContact O-CZ 3.39Å; V1407-V1544 HydrophobicContact CG1-CG1 3.8Å; V1407-V1544 HydrophobicContact CG1-CG2 4.33Å; V1407-V1544 HydrophobicContact CG2-CG1 3.8Å; V1407-F1548 HydrophobicContact CG2-CE2 4.34Å; V1407-H1568 HydrophobicContact CB-CB 4.23Å; V1407-H1568 VanDerWaalsContact CG2-CA 3.46Å; V1407-H1568 HydrophobicContact CG2-CB 3.33Å; V1407-H1568 VanDerWaalsContact CG2-CB 3.4Å; V1407-H1568 VanDerWaalsContact CG2-O 3.3Å; V1407-H1568 WeakPolarHBondContact CG2-O 3.33Å; V1407-L1571 HydrophobicContact CG1-CB 4.43Å; V1407-L1571 HydrophobicContact CG1-CD2 4Å; V1407-L1571 HydrophobicContact CG1-CG 4.13Å; V1407-Q1572 HydrophobicContact CG1-CB 4.4Å; V1407-Q1572 HydrophobicContact CG2-CB 4.38Å |
| 1408 | N | 74.3 | Confident | 68.9 | Low | 30.2 Ų | 30.2 | 63.5 Ų | 63.5 | 16% | 0.161 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -2 | 179 | -46.7 | -5.8 | 0 | 0 | 0 | 113.3 | F1406 Q1572 L1575 W1650 A1683 | F1406-N1408 WeakPolarHBondContact CB-OD1 3.36Å; F1406-N1408 PolarHBondContact O-N 2.99Å; F1406-N1408 VanDerWaalsContact O-N 3.13Å; N1408-Q1572 PolarHBondContact OD1-OE1 2.86Å; N1408-L1575 WeakPolarHBondContact ND2-CD1 3.38Å; N1408-L1575 WeakPolarHBondContact OD1-CD1 3.42Å; N1408-W1650 PolarHBondContact ND2-NE1 3.38Å; N1408-A1683 WeakPolarHBondContact O-CB 3.34Å |
| 1409 | D | 78 | Confident | 71.5 | Confident | 5.6 Ų | 5.6 | 56.4 Ų | 56.4 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -80.4 | 143.3 | -179.6 | -148.4 | -18.3 | 0 | 0 | 0 | 111.2 | I1405 F1406 V1407 R1411 F1412 F1474 H1682 | I1405-D1409 HydrophobicContact CG2-CB 3.98Å; F1406-D1409 PolarHBondContact N-OD2 3.43Å; F1406-D1409 VanDerWaalsContact O-CB 3.29Å; F1406-D1409 WeakPolarHBondContact O-CB 3.37Å; F1406-D1409 PolarHBondContact O-N 3.26Å; V1407-D1409 VanDerWaalsContact C-N 3.26Å; V1407-D1409 PolarHBondContact O-N 3.31Å; D1409-R1411 PolarHBondContact O-N 3.06Å; D1409-R1411 VanDerWaalsContact O-N 3.13Å; D1409-R1411 PolarHBondContact OD1-N 3.34Å; D1409-F1412 VanDerWaalsContact O-CB 3.24Å; D1409-F1412 WeakPolarHBondContact O-CB 3.33Å; D1409-F1412 PolarHBondContact O-N 3.22Å; D1409-F1412 VanDerWaalsContact O-N 3.1Å; D1409-F1474 WeakPolarHBondContact O-CD1 3.32Å; D1409-F1474 WeakPolarHBondContact O-CE1 3.23Å; D1409-H1682 VanDerWaalsContact CG-ND1 3.34Å; D1409-H1682 IonicContact OD1-CE1 3.66Å; D1409-H1682 IonicContact OD1-CG 3.26Å; D1409-H1682 IonicContact OD1-ND1 3.14Å; D1409-H1682 PolarHBondContact OD1-ND1 2.85Å; D1409-H1682 VanDerWaalsContact OD1-ND1 3.07Å; D1409-H1682 IonicContact OD2-CE1 3.09Å; D1409-H1682 PolarHBondContact OD2-CE1 3.15Å; D1409-H1682 IonicContact OD2-ND1 3.53Å; D1409-H1682 PolarHBondContact OD2-ND1 3.19Å |
| 1410 | R | 77.5 | Confident | 74.2 | Confident | 112.8 Ų | 112.8 | 49.5 Ų | 49.5 | 43% | 0.426 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -31.2 | 177.2 | -61 | -161.2 | 163.3 | -169.9 | -5.7 | 112.5 | F1412 P1413 S1472 S1473 F1475 | R1410-F1412 VanDerWaalsContact C-N 3.33Å; R1410-F1412 PolarHBondContact O-N 3.41Å; R1410-P1413 WeakPolarHBondContact O-CD 3.37Å; R1410-S1472 PolarHBondContact NH2-O 3.09Å; R1410-S1472 VanDerWaalsContact NH2-O 3.11Å; R1410-S1473 WeakPolarHBondContact CA-O 3.45Å; R1410-S1473 WeakPolarHBondContact CD-O 3.3Å; R1410-S1473 VanDerWaalsContact CG-O 3.26Å; R1410-S1473 WeakPolarHBondContact CG-O 3.38Å; R1410-S1473 PolarHBondContact NE-O 3.12Å; R1410-F1475 VanDerWaalsContact C-CD2 3.48Å; R1410-F1475 HydrophobicContact CB-CD2 3.98Å; R1410-F1475 HydrophobicContact CB-CE2 3.8Å; R1410-F1475 HydrophobicContact CB-CG 4.44Å; R1410-F1475 HydrophobicContact CB-CZ 4.19Å; R1410-F1475 VanDerWaalsContact O-CD2 3.29Å; R1410-F1475 WeakPolarHBondContact O-CD2 3.4Å; R1410-F1475 PolarHBondContact O-N 3.18Å; R1410-F1475 VanDerWaalsContact O-N 3.1Å |
| 1411 | R | 81.5 | Confident | 76.7 | Confident | 88.4 Ų | 88.4 | 42 Ų | 42 | 33% | 0.334 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -5.4 | -179.3 | -65.3 | 179.1 | -177.3 | -176.6 | -1 | 114.2 | E1400 E1402 I1405 D1409 P1413 F1414 H1415 F1475 Q1681 | E1400-R1411 IonicContact OE1-NH1 2.63Å; E1400-R1411 PolarHBondContact OE1-NH1 3.39Å; E1402-R1411 IonicContact OE1-CZ 3.2Å; E1402-R1411 IonicContact OE1-NH1 3.46Å; E1402-R1411 PolarHBondContact OE1-NH1 3.31Å; E1402-R1411 IonicContact OE1-NH2 2.65Å; E1402-R1411 PolarHBondContact OE1-NH2 2.77Å; E1402-R1411 IonicContact OE2-CZ 3.99Å; E1402-R1411 IonicContact OE2-NH1 3.68Å; E1402-R1411 PolarHBondContact OE2-NH1 3.24Å; E1402-R1411 IonicContact OE2-NH2 3.62Å; I1405-R1411 HydrophobicContact CD1-CB 4.35Å; I1405-R1411 HydrophobicContact CG2-CB 4.34Å; D1409-R1411 PolarHBondContact O-N 3.06Å; D1409-R1411 VanDerWaalsContact O-N 3.13Å; D1409-R1411 PolarHBondContact OD1-N 3.34Å; R1411-P1413 VanDerWaalsContact C-CD 3.48Å; R1411-F1414 WeakPolarHBondContact O-CB 3.33Å; R1411-F1414 PolarHBondContact O-N 3.21Å; R1411-F1414 VanDerWaalsContact O-N 3.1Å; R1411-H1415 PolarHBondContact O-N 3.25Å; R1411-F1475 HydrophobicContact CB-CE2 4.46Å; R1411-F1475 HydrophobicContact CG-CD2 4.21Å; R1411-F1475 HydrophobicContact CG-CE2 3.71Å; R1411-Q1681 VanDerWaalsContact CZ-OE1 3.26Å |
| 1412 | F | 86.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55 | -43.8 | -177.3 | -177.1 | -115.2 | 0 | 0 | 0 | 114.2 | I1405 V1407 D1409 R1410 F1414 H1415 I1416 F1474 I1547 H1568 | I1405-F1412 HydrophobicContact CG2-CB 4.37Å; I1405-F1412 HydrophobicContact CG2-CD2 4.46Å; V1407-F1412 HydrophobicContact CB-CE1 4.36Å; V1407-F1412 HydrophobicContact CB-CE2 4.4Å; V1407-F1412 HydrophobicContact CB-CZ 4.21Å; V1407-F1412 HydrophobicContact CG1-CD1 4.34Å; V1407-F1412 HydrophobicContact CG1-CE1 3.95Å; V1407-F1412 HydrophobicContact CG1-CZ 4.2Å; V1407-F1412 HydrophobicContact CG2-CD1 4.2Å; V1407-F1412 HydrophobicContact CG2-CD2 4.47Å; V1407-F1412 HydrophobicContact CG2-CE1 4.2Å; V1407-F1412 HydrophobicContact CG2-CE2 4.07Å; V1407-F1412 HydrophobicContact CG2-CZ 3.84Å; D1409-F1412 VanDerWaalsContact O-CB 3.24Å; D1409-F1412 WeakPolarHBondContact O-CB 3.33Å; D1409-F1412 PolarHBondContact O-N 3.22Å; D1409-F1412 VanDerWaalsContact O-N 3.1Å; R1410-F1412 VanDerWaalsContact C-N 3.33Å; R1410-F1412 PolarHBondContact O-N 3.41Å; F1412-F1414 VanDerWaalsContact C-N 3.33Å; F1412-F1414 PolarHBondContact O-N 3.05Å; F1412-H1415 WeakPolarHBondContact O-CB 3.41Å; F1412-H1415 PolarHBondContact O-N 3.15Å; F1412-I1416 HydrophobicContact CD1-CD1 3.76Å; F1412-I1416 HydrophobicContact CD1-CG1 4.34Å; F1412-I1416 HydrophobicContact CD2-CD1 4.24Å; F1412-I1416 HydrophobicContact CD2-CG1 4.29Å; F1412-I1416 HydrophobicContact CE1-CD1 3.18Å; F1412-I1416 HydrophobicContact CE1-CG1 4.21Å; F1412-I1416 HydrophobicContact CE2-CD1 3.68Å; F1412-I1416 HydrophobicContact CE2-CG1 3.89Å; F1412-I1416 HydrophobicContact CG-CD1 4.25Å; F1412-I1416 HydrophobicContact CG-CG1 4.41Å; F1412-I1416 HydrophobicContact CZ-CD1 3.28Å; F1412-I1416 HydrophobicContact CZ-CG1 3.87Å; F1412-I1416 WeakPolarHBondContact O-CG1 3.37Å; F1412-I1416 PolarHBondContact O-N 3.26Å; F1412-F1474 HydrophobicContact CB-CD1 4.45Å; F1412-F1474 HydrophobicContact CB-CE1 4.04Å; F1412-F1474 HydrophobicContact CD1-CE1 4.25Å; F1412-F1474 HydrophobicContact CD1-CZ 4.44Å; F1412-I1547 HydrophobicContact CE1-CD1 4.38Å; F1412-I1547 HydrophobicContact CE1-CG2 4.38Å; F1412-H1568 HydrophobicContact CE2-CB 4.23Å; F1412-H1568 AromaticContact CE2-CD2 3.62Å; F1412-H1568 AromaticContact CE2-CE1 3.9Å; F1412-H1568 AromaticContact CE2-CG 3.63Å; F1412-H1568 AromaticContact CE2-ND1 3.8Å; F1412-H1568 AromaticContact CE2-NE2 3.77Å; F1412-H1568 HydrophobicContact CZ-CB 4.18Å; F1412-H1568 AromaticContact CZ-CG 3.89Å |
| 1413 | P | 85.5 | Confident | 81 | Confident | 1.2 Ų | 1.2 | 31.6 Ų | 31.6 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 175.2 | -25.7 | 36.3 | 0 | 0 | 0 | 113.6 | R1410 R1411 L1417 F1447 F1474 L1480 | R1410-P1413 WeakPolarHBondContact O-CD 3.37Å; R1411-P1413 VanDerWaalsContact C-CD 3.48Å; P1413-L1417 VanDerWaalsContact O-CB 3.31Å; P1413-L1417 WeakPolarHBondContact O-CB 3.24Å; P1413-L1417 WeakPolarHBondContact O-CG 3.39Å; P1413-L1417 PolarHBondContact O-N 3.11Å; P1413-F1447 HydrophobicContact CB-CD1 4.42Å; P1413-F1447 HydrophobicContact CB-CD2 4.06Å; P1413-F1447 HydrophobicContact CB-CE1 3.99Å; P1413-F1447 HydrophobicContact CB-CE2 3.62Å; P1413-F1447 HydrophobicContact CB-CG 4.42Å; P1413-F1447 HydrophobicContact CB-CZ 3.57Å; P1413-F1447 HydrophobicContact CG-CD1 4.3Å; P1413-F1447 HydrophobicContact CG-CE1 3.66Å; P1413-F1447 HydrophobicContact CG-CE2 4.17Å; P1413-F1447 HydrophobicContact CG-CZ 3.59Å; P1413-F1447 VanDerWaalsContact CG-CZ 3.43Å; P1413-F1474 HydrophobicContact CG-CB 3.89Å; P1413-F1474 HydrophobicContact CG-CD1 3.85Å; P1413-F1474 HydrophobicContact CG-CG 3.95Å; P1413-L1480 HydrophobicContact CB-CD1 4.08Å; P1413-L1480 HydrophobicContact CB-CD2 4.19Å |
| 1414 | F | 86.6 | Confident | 82.5 | Confident | 54.4 Ų | 54.4 | 29.9 Ų | 29.9 | 24% | 0.239 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.4 | -45.5 | 177.2 | 172.9 | -96.4 | 0 | 0 | 0 | 110.6 | R1411 F1412 L1417 C1418 L1480 L1483 F1484 | R1411-F1414 WeakPolarHBondContact O-CB 3.33Å; R1411-F1414 PolarHBondContact O-N 3.21Å; R1411-F1414 VanDerWaalsContact O-N 3.1Å; F1412-F1414 VanDerWaalsContact C-N 3.33Å; F1412-F1414 PolarHBondContact O-N 3.05Å; F1414-L1417 PolarHBondContact O-N 3.13Å; F1414-C1418 VanDerWaalsContact CZ-SG 3.59Å; F1414-C1418 WeakPolarHBondContact O-CB 3.24Å; F1414-C1418 PolarHBondContact O-N 3.33Å; F1414-C1418 PolarHBondContact O-SG 3.1Å; F1414-L1480 HydrophobicContact CB-CD1 3.9Å; F1414-L1480 HydrophobicContact CB-CD2 4.26Å; F1414-L1483 HydrophobicContact CD2-CB 3.74Å; F1414-L1483 HydrophobicContact CE2-CB 3.9Å; F1414-L1483 VanDerWaalsContact CE2-O 3.3Å; F1414-L1483 WeakPolarHBondContact CE2-O 3.33Å; F1414-L1483 HydrophobicContact CG-CB 4.47Å; F1414-F1484 AromaticContact CD2-CD1 3.61Å; F1414-F1484 HydrophobicContact CD2-CD1 3.61Å; F1414-F1484 AromaticContact CD2-CE1 3.33Å; F1414-F1484 HydrophobicContact CD2-CE1 3.33Å; F1414-F1484 HydrophobicContact CD2-CG 4.42Å; F1414-F1484 AromaticContact CD2-CZ 3.94Å; F1414-F1484 HydrophobicContact CD2-CZ 3.96Å; F1414-F1484 AromaticContact CE2-CD1 3.49Å; F1414-F1484 HydrophobicContact CE2-CD1 3.49Å; F1414-F1484 VanDerWaalsContact CE2-CD1 3.47Å; F1414-F1484 AromaticContact CE2-CE1 3.7Å; F1414-F1484 HydrophobicContact CE2-CE1 3.7Å; F1414-F1484 HydrophobicContact CE2-CG 4.32Å; F1414-F1484 HydrophobicContact CG-CE1 4.25Å |
| 1415 | H | 86.5 | Confident | 83.3 | Confident | 41.4 Ų | 41.4 | 29.4 Ų | 29.4 | 19% | 0.192 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 177.4 | -178.6 | -102 | 0 | 0 | 0 | 112.2 | I1405 R1411 F1412 L1417 C1418 E1419 | I1405-H1415 HydrophobicContact CB-CB 4.43Å; I1405-H1415 HydrophobicContact CD1-CB 3.76Å; I1405-H1415 HydrophobicContact CG2-CB 4.19Å; R1411-H1415 PolarHBondContact O-N 3.25Å; F1412-H1415 WeakPolarHBondContact O-CB 3.41Å; F1412-H1415 PolarHBondContact O-N 3.15Å; H1415-L1417 VanDerWaalsContact C-N 3.35Å; H1415-L1417 PolarHBondContact O-N 3.24Å; H1415-C1418 PolarHBondContact O-N 3.14Å; H1415-E1419 WeakPolarHBondContact O-CG 3.41Å; H1415-E1419 PolarHBondContact O-N 3.39Å |
| 1416 | I | 89.6 | Confident | 83.5 | Confident | 1.2 Ų | 1.2 | 30.3 Ų | 30.3 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 178.7 | -68.7 | -176.4 | 0 | 0 | 0 | 111.1 | F1412 C1418 E1419 L1420 L1443 I1547 F1561 M1565 | F1412-I1416 HydrophobicContact CD1-CD1 3.76Å; F1412-I1416 HydrophobicContact CD1-CG1 4.34Å; F1412-I1416 HydrophobicContact CD2-CD1 4.24Å; F1412-I1416 HydrophobicContact CD2-CG1 4.29Å; F1412-I1416 HydrophobicContact CE1-CD1 3.18Å; F1412-I1416 HydrophobicContact CE1-CG1 4.21Å; F1412-I1416 HydrophobicContact CE2-CD1 3.68Å; F1412-I1416 HydrophobicContact CE2-CG1 3.89Å; F1412-I1416 HydrophobicContact CG-CD1 4.25Å; F1412-I1416 HydrophobicContact CG-CG1 4.41Å; F1412-I1416 HydrophobicContact CZ-CD1 3.28Å; F1412-I1416 HydrophobicContact CZ-CG1 3.87Å; F1412-I1416 WeakPolarHBondContact O-CG1 3.37Å; F1412-I1416 PolarHBondContact O-N 3.26Å; I1416-C1418 VanDerWaalsContact C-N 3.31Å; I1416-C1418 PolarHBondContact O-N 3.32Å; I1416-E1419 PolarHBondContact O-N 3.11Å; I1416-E1419 VanDerWaalsContact O-N 3.16Å; I1416-L1420 HydrophobicContact CG2-CD1 3.75Å; I1416-L1420 HydrophobicContact CG2-CG 4.09Å; I1416-L1420 WeakPolarHBondContact O-CB 3.43Å; I1416-L1420 VanDerWaalsContact O-CG 3.28Å; I1416-L1420 WeakPolarHBondContact O-CG 3.24Å; I1416-L1420 PolarHBondContact O-N 3.17Å; I1416-L1443 HydrophobicContact CG2-CD1 3.82Å; I1416-I1547 HydrophobicContact CD1-CG2 3.68Å; I1416-F1561 HydrophobicContact CG2-CZ 4.46Å; I1416-M1565 HydrophobicContact CD1-CE 3.24Å; I1416-M1565 HydrophobicContact CD1-SD 4.32Å |
| 1417 | L | 89.5 | Confident | 83.3 | Confident | 0.2 Ų | 0.2 | 30.5 Ų | 30.5 | 0% | 0.001 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.5 | -36.9 | 180 | -76.8 | 168.2 | 0 | 0 | 0 | 111.7 | P1413 F1414 H1415 L1420 A1421 V1440 L1443 L1444 F1447 L1480 F1484 F1492 | P1413-L1417 VanDerWaalsContact O-CB 3.31Å; P1413-L1417 WeakPolarHBondContact O-CB 3.24Å; P1413-L1417 WeakPolarHBondContact O-CG 3.39Å; P1413-L1417 PolarHBondContact O-N 3.11Å; F1414-L1417 PolarHBondContact O-N 3.13Å; H1415-L1417 VanDerWaalsContact C-N 3.35Å; H1415-L1417 PolarHBondContact O-N 3.24Å; L1417-L1420 HydrophobicContact CD2-CD1 4.48Å; L1417-L1420 PolarHBondContact O-N 3.08Å; L1417-A1421 WeakPolarHBondContact O-CB 3.34Å; L1417-A1421 PolarHBondContact O-N 3.11Å; L1417-V1440 HydrophobicContact CD2-CB 4.44Å; L1417-V1440 HydrophobicContact CD2-CG1 4.19Å; L1417-V1440 HydrophobicContact CD2-CG2 4.31Å; L1417-L1443 HydrophobicContact CD2-CB 4.08Å; L1417-L1443 HydrophobicContact CD2-CD1 4.24Å; L1417-L1444 HydrophobicContact CD1-CD2 4.06Å; L1417-L1444 HydrophobicContact CD2-CD2 4.43Å; L1417-L1444 HydrophobicContact CD2-CG 4.42Å; L1417-F1447 HydrophobicContact CD1-CD2 4.32Å; L1417-F1447 HydrophobicContact CD1-CE2 4.46Å; L1417-L1480 HydrophobicContact CD1-CD2 4.06Å; L1417-F1484 HydrophobicContact CB-CE1 3.93Å; L1417-F1484 HydrophobicContact CB-CZ 3.7Å; L1417-F1484 HydrophobicContact CD1-CE2 4.13Å; L1417-F1484 HydrophobicContact CD1-CZ 3.58Å; L1417-F1484 HydrophobicContact CG-CZ 4.28Å; L1417-F1492 HydrophobicContact CB-CE2 4.34Å; L1417-F1492 HydrophobicContact CB-CZ 4.21Å; L1417-F1492 WeakPolarHBondContact O-CZ 3.43Å |
| 1418 | C | 88.3 | Confident | 83 | Confident | 21.4 Ų | 21.4 | 34 Ų | 34 | 15% | 0.145 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 172.8 | -72.2 | 0 | 0 | 0 | 0 | 112.2 | F1414 H1415 I1416 A1421 K1422 | F1414-C1418 VanDerWaalsContact CZ-SG 3.59Å; F1414-C1418 WeakPolarHBondContact O-CB 3.24Å; F1414-C1418 PolarHBondContact O-N 3.33Å; F1414-C1418 PolarHBondContact O-SG 3.1Å; H1415-C1418 PolarHBondContact O-N 3.14Å; I1416-C1418 VanDerWaalsContact C-N 3.31Å; I1416-C1418 PolarHBondContact O-N 3.32Å; C1418-A1421 WeakPolarHBondContact O-CB 3.37Å; C1418-A1421 PolarHBondContact O-N 3.04Å; C1418-K1422 WeakPolarHBondContact O-CG 3.4Å; C1418-K1422 PolarHBondContact O-N 3.19Å |
| 1419 | E | 86.2 | Confident | 83 | Confident | 45.6 Ų | 45.6 | 34.8 Ų | 34.8 | 21% | 0.213 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 175.3 | -71.2 | -54.6 | 133.2 | 0 | 0 | 112.2 | H1415 I1416 A1421 K1422 I1423 F1561 L1564 | H1415-E1419 WeakPolarHBondContact O-CG 3.41Å; H1415-E1419 PolarHBondContact O-N 3.39Å; I1416-E1419 PolarHBondContact O-N 3.11Å; I1416-E1419 VanDerWaalsContact O-N 3.16Å; E1419-A1421 VanDerWaalsContact C-N 3.33Å; E1419-A1421 PolarHBondContact O-N 3.24Å; E1419-K1422 WeakPolarHBondContact O-CB 3.33Å; E1419-K1422 PolarHBondContact O-N 3.24Å; E1419-K1422 WeakPolarHBondContact OE1-CE 3.44Å; E1419-K1422 IonicContact OE1-NZ 3.25Å; E1419-K1422 PolarHBondContact OE1-NZ 3.23Å; E1419-K1422 IonicContact OE2-NZ 2.78Å; E1419-I1423 VanDerWaalsContact O-CG1 3.32Å; E1419-I1423 WeakPolarHBondContact O-CG1 3.35Å; E1419-I1423 PolarHBondContact O-N 3.12Å; E1419-F1561 HydrophobicContact CB-CE2 4.4Å; E1419-L1564 HydrophobicContact CB-CD2 4.23Å; E1419-L1564 HydrophobicContact CG-CD1 4.07Å; E1419-L1564 HydrophobicContact CG-CD2 3.83Å |
| 1420 | L | 89.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -36.8 | 173.3 | -71.8 | 175.2 | 0 | 0 | 0 | 112.2 | I1416 L1417 I1423 Y1424 A1439 V1440 L1443 V1554 F1561 | I1416-L1420 HydrophobicContact CG2-CD1 3.75Å; I1416-L1420 HydrophobicContact CG2-CG 4.09Å; I1416-L1420 WeakPolarHBondContact O-CB 3.43Å; I1416-L1420 VanDerWaalsContact O-CG 3.28Å; I1416-L1420 WeakPolarHBondContact O-CG 3.24Å; I1416-L1420 PolarHBondContact O-N 3.17Å; L1417-L1420 HydrophobicContact CD2-CD1 4.48Å; L1417-L1420 PolarHBondContact O-N 3.08Å; L1420-I1423 HydrophobicContact CD2-CD1 4.48Å; L1420-I1423 PolarHBondContact O-N 3.2Å; L1420-Y1424 VanDerWaalsContact O-CB 3.26Å; L1420-Y1424 WeakPolarHBondContact O-CB 3.4Å; L1420-Y1424 PolarHBondContact O-N 3.12Å; L1420-A1439 HydrophobicContact CD1-CB 3.89Å; L1420-A1439 HydrophobicContact CD2-CB 4.11Å; L1420-V1440 HydrophobicContact CB-CG2 3.67Å; L1420-V1440 HydrophobicContact CD1-CG2 4.07Å; L1420-V1440 HydrophobicContact CG-CG2 4.48Å; L1420-L1443 HydrophobicContact CD1-CD1 3.43Å; L1420-L1443 VanDerWaalsContact CD1-CD1 3.43Å; L1420-V1554 HydrophobicContact CD2-CB 4.32Å; L1420-V1554 HydrophobicContact CD2-CG1 3.96Å; L1420-V1554 HydrophobicContact CD2-CG2 3.93Å; L1420-F1561 HydrophobicContact CD2-CE1 4.11Å; L1420-F1561 HydrophobicContact CD2-CE2 3.92Å; L1420-F1561 HydrophobicContact CD2-CZ 3.61Å; L1420-F1561 HydrophobicContact CG-CE2 4.26Å; L1420-F1561 HydrophobicContact CG-CZ 4.15Å |
| 1421 | A | 86.5 | Confident | 83.1 | Confident | 1.6 Ų | 1.6 | 40.3 Ų | 40.3 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1417 C1418 E1419 I1423 Y1424 L1425 L1488 L1491 F1492 | L1417-A1421 WeakPolarHBondContact O-CB 3.34Å; L1417-A1421 PolarHBondContact O-N 3.11Å; C1418-A1421 WeakPolarHBondContact O-CB 3.37Å; C1418-A1421 PolarHBondContact O-N 3.04Å; E1419-A1421 VanDerWaalsContact C-N 3.33Å; E1419-A1421 PolarHBondContact O-N 3.24Å; A1421-I1423 VanDerWaalsContact C-N 3.3Å; A1421-I1423 PolarHBondContact O-N 3.16Å; A1421-Y1424 PolarHBondContact O-N 3.1Å; A1421-L1425 WeakPolarHBondContact O-CB 3.36Å; A1421-L1425 VanDerWaalsContact O-CG 3.27Å; A1421-L1425 WeakPolarHBondContact O-CG 3.41Å; A1421-L1425 PolarHBondContact O-N 3.07Å; A1421-L1488 HydrophobicContact CB-CD2 3.69Å; A1421-L1491 HydrophobicContact CB-CD2 4Å; A1421-F1492 HydrophobicContact CB-CE1 3.9Å; A1421-F1492 HydrophobicContact CB-CZ 3.82Å |
| 1422 | K | 84.3 | Confident | 83.1 | Confident | 109 Ų | 109 | 37.5 Ų | 37.5 | 47% | 0.474 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 174.1 | -68.9 | 172.1 | -173.4 | 173.7 | 0 | 111.1 | C1418 E1419 R1426 | C1418-K1422 WeakPolarHBondContact O-CG 3.4Å; C1418-K1422 PolarHBondContact O-N 3.19Å; E1419-K1422 WeakPolarHBondContact O-CB 3.33Å; E1419-K1422 PolarHBondContact O-N 3.24Å; E1419-K1422 WeakPolarHBondContact OE1-CE 3.44Å; E1419-K1422 IonicContact OE1-NZ 3.25Å; E1419-K1422 PolarHBondContact OE1-NZ 3.23Å; E1419-K1422 IonicContact OE2-NZ 2.78Å; K1422-R1426 WeakPolarHBondContact O-CB 3.3Å; K1422-R1426 WeakPolarHBondContact O-CG 3.43Å; K1422-R1426 PolarHBondContact O-N 3.26Å |
| 1423 | I | 84 | Confident | 83 | Confident | 5.2 Ų | 5.2 | 38.1 Ų | 38.1 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.4 | -43.8 | 176.9 | -65 | 163.1 | 0 | 0 | 0 | 111 | E1419 L1420 A1421 L1425 R1426 A1427 Q1432 A1436 V1554 F1561 | E1419-I1423 VanDerWaalsContact O-CG1 3.32Å; E1419-I1423 WeakPolarHBondContact O-CG1 3.35Å; E1419-I1423 PolarHBondContact O-N 3.12Å; L1420-I1423 HydrophobicContact CD2-CD1 4.48Å; L1420-I1423 PolarHBondContact O-N 3.2Å; A1421-I1423 VanDerWaalsContact C-N 3.3Å; A1421-I1423 PolarHBondContact O-N 3.16Å; I1423-L1425 VanDerWaalsContact C-N 3.33Å; I1423-L1425 PolarHBondContact O-N 3.06Å; I1423-R1426 CarbonylContact O-C 3.48Å; I1423-R1426 PolarHBondContact O-N 3.2Å; I1423-A1427 WeakPolarHBondContact O-CA 3.21Å; I1423-A1427 WeakPolarHBondContact O-CB 3.3Å; I1423-A1427 PolarHBondContact O-N 3.18Å; I1423-Q1432 HydrophobicContact CG2-CG 4.12Å; I1423-A1436 HydrophobicContact CG2-CB 4.17Å; I1423-V1554 HydrophobicContact CD1-CG1 3.99Å; I1423-V1554 HydrophobicContact CG2-CG1 4.3Å; I1423-F1561 HydrophobicContact CD1-CB 3.58Å; I1423-F1561 HydrophobicContact CD1-CD1 4.44Å; I1423-F1561 HydrophobicContact CD1-CD2 3.36Å; I1423-F1561 HydrophobicContact CD1-CE2 4.13Å; I1423-F1561 HydrophobicContact CD1-CG 3.54Å |
| 1424 | Y | 85.1 | Confident | 83 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 178.9 | -176 | -101.1 | 0 | 0 | 0 | 111.8 | A1142 L1420 A1421 L1433 A1436 A1437 L1491 L1495 | A1142-Y1424 HydrophobicContact CB-CD1 3.92Å; A1142-Y1424 HydrophobicContact CB-CE1 3.44Å; A1142-Y1424 VanDerWaalsContact CB-CE1 3.43Å; A1142-Y1424 HydrophobicContact CB-CE2 4.48Å; A1142-Y1424 HydrophobicContact CB-CG 4.44Å; L1420-Y1424 VanDerWaalsContact O-CB 3.26Å; L1420-Y1424 WeakPolarHBondContact O-CB 3.4Å; L1420-Y1424 PolarHBondContact O-N 3.12Å; A1421-Y1424 PolarHBondContact O-N 3.1Å; Y1424-L1433 HydrophobicContact CD2-CD1 4.44Å; Y1424-L1433 HydrophobicContact CD2-CD2 4.39Å; Y1424-L1433 HydrophobicContact CD2-CG 4Å; Y1424-L1433 HydrophobicContact CE2-CD1 4.23Å; Y1424-L1433 HydrophobicContact CE2-CD2 3.62Å; Y1424-L1433 HydrophobicContact CE2-CG 3.66Å; Y1424-A1436 HydrophobicContact CD2-CB 4.24Å; Y1424-A1437 HydrophobicContact CD2-CB 4.31Å; Y1424-A1437 HydrophobicContact CE2-CB 3.85Å; Y1424-L1491 HydrophobicContact CD1-CD1 3.77Å; Y1424-L1491 HydrophobicContact CD1-CD2 4.08Å; Y1424-L1491 HydrophobicContact CD1-CG 4.04Å; Y1424-L1491 HydrophobicContact CE1-CD1 3.63Å; Y1424-L1491 HydrophobicContact CE1-CG 4.17Å; Y1424-L1495 HydrophobicContact CE1-CD1 4.43Å |
| 1425 | L | 80.1 | Confident | 83 | Confident | 47.8 Ų | 47.8 | 38.2 Ų | 38.2 | 25% | 0.25 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71.6 | -35.2 | 175.5 | -67.9 | 171.5 | 0 | 0 | 0 | 112.8 | A1142 E1181 L1182 A1421 I1423 A1427 L1491 | A1142-L1425 HydrophobicContact CB-CD2 4.36Å; E1181-L1425 WeakPolarHBondContact OE1-CD1 3.28Å; L1182-L1425 HydrophobicContact CD2-CD2 4.23Å; A1421-L1425 WeakPolarHBondContact O-CB 3.36Å; A1421-L1425 VanDerWaalsContact O-CG 3.27Å; A1421-L1425 WeakPolarHBondContact O-CG 3.41Å; A1421-L1425 PolarHBondContact O-N 3.07Å; I1423-L1425 VanDerWaalsContact C-N 3.33Å; I1423-L1425 PolarHBondContact O-N 3.06Å; L1425-A1427 VanDerWaalsContact C-N 3.34Å; L1425-A1427 PolarHBondContact O-N 2.9Å; L1425-L1491 HydrophobicContact CD1-CD2 4.25Å; L1425-L1491 HydrophobicContact CD2-CD1 3.91Å; L1425-L1491 HydrophobicContact CD2-CD2 4.17Å; L1425-L1491 HydrophobicContact CG-CD1 4.48Å; L1425-L1491 HydrophobicContact CG-CD2 4.04Å |
| 1426 | R | 76.4 | Confident | 83.1 | Confident | 49.6 Ų | 49.6 | 36.2 Ų | 36.2 | 19% | 0.187 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -77.9 | -22.6 | 179.9 | 164.7 | 172.7 | 89.1 | 174.8 | -1.2 | 113.7 | K1149 S1275 K1422 I1423 A1428 D1558 T1560 | K1149-R1426 PolarHBondContact NZ-O 3.03Å; S1275-R1426 WeakPolarHBondContact O-CD 3.44Å; S1275-R1426 WeakPolarHBondContact O-CG 3.41Å; S1275-R1426 PolarHBondContact O-NH1 3.12Å; K1422-R1426 WeakPolarHBondContact O-CB 3.3Å; K1422-R1426 WeakPolarHBondContact O-CG 3.43Å; K1422-R1426 PolarHBondContact O-N 3.26Å; I1423-R1426 CarbonylContact O-C 3.48Å; I1423-R1426 PolarHBondContact O-N 3.2Å; R1426-A1428 PolarHBondContact O-N 3.22Å; R1426-A1428 VanDerWaalsContact O-N 3.11Å; R1426-D1558 IonicContact CZ-OD2 3.25Å; R1426-D1558 IonicContact NE-OD2 3.61Å; R1426-D1558 IonicContact NH2-OD1 2.83Å; R1426-D1558 PolarHBondContact NH2-OD1 2.92Å; R1426-D1558 IonicContact NH2-OD2 3Å; R1426-D1558 PolarHBondContact NH2-OD2 3.2Å; R1426-T1560 PolarHBondContact NH2-OG1 3.15Å |
| 1427 | A | 77.1 | Confident | 82.9 | Confident | 7.8 Ų | 7.8 | 36.1 Ų | 36.1 | 6% | 0.064 | 18% | 0.184 | C | C | . | . | trans | -46.9 | 119.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1149 I1423 L1425 Q1432 L1433 | K1149-A1427 PolarHBondContact NZ-O 2.87Å; I1423-A1427 WeakPolarHBondContact O-CA 3.21Å; I1423-A1427 WeakPolarHBondContact O-CB 3.3Å; I1423-A1427 PolarHBondContact O-N 3.18Å; L1425-A1427 VanDerWaalsContact C-N 3.34Å; L1425-A1427 PolarHBondContact O-N 2.9Å; A1427-Q1432 HydrophobicContact CB-CB 4.19Å; A1427-Q1432 HydrophobicContact CB-CG 4.11Å; A1427-L1433 HydrophobicContact CB-CB 3.76Å; A1427-L1433 HydrophobicContact CB-CD1 4.4Å; A1427-L1433 HydrophobicContact CB-CG 4.46Å | ||
| 1428 | A | 69.3 | Low | 82.9 | Confident | 74.4 Ų | 74.4 | 36.8 Ų | 36.8 | 62% | 0.615 | 19% | 0.187 | S | C | * | . | trans | -89.8 | -20.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1426 | R1426-A1428 PolarHBondContact O-N 3.22Å; R1426-A1428 VanDerWaalsContact O-N 3.11Å | ||
| 1429 | S | 75.6 | Confident | 83 | Confident | 45.4 Ų | 45.4 | 35.8 Ų | 35.8 | 32% | 0.317 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -119.5 | 146.5 | 178.7 | 71 | 0 | 0 | 0 | 0 | 110.8 | R1431 Q1432 L1433 | S1429-R1431 PolarHBondContact O-N 3.29Å; S1429-Q1432 WeakPolarHBondContact O-CB 3.39Å; S1429-Q1432 PolarHBondContact O-N 3.25Å; S1429-Q1432 VanDerWaalsContact O-N 3.11Å; S1429-Q1432 VanDerWaalsContact OG-CB 3.24Å; S1429-Q1432 WeakPolarHBondContact OG-CB 3.34Å; S1429-Q1432 VanDerWaalsContact OG-CG 3.25Å; S1429-Q1432 WeakPolarHBondContact OG-CG 3.38Å; S1429-Q1432 PolarHBondContact OG-N 3.16Å; S1429-Q1432 VanDerWaalsContact OG-N 3.13Å; S1429-Q1432 PolarHBondContact OG-OE1 3.03Å; S1429-L1433 PolarHBondContact O-N 3.11Å; S1429-L1433 VanDerWaalsContact O-N 3.12Å |
| 1430 | P | 76.1 | Confident | 83.1 | Confident | 27.8 Ų | 27.8 | 33.6 Ų | 33.6 | 18% | 0.181 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -35 | 175.1 | -5.2 | 8 | 0 | 0 | 0 | 111.8 | D1105 L1109 I1150 Q1432 L1433 D1434 | D1105-P1430 HydrophobicContact CB-CB 4.24Å; D1105-P1430 HydrophobicContact CB-CG 4.3Å; D1105-P1430 WeakPolarHBondContact OD2-CB 3.49Å; L1109-P1430 HydrophobicContact CD1-CG 3.95Å; I1150-P1430 HydrophobicContact CD1-CB 4.22Å; I1150-P1430 HydrophobicContact CD1-CG 3.39Å; I1150-P1430 VanDerWaalsContact CD1-CG 3.43Å; I1150-P1430 HydrophobicContact CG1-CG 4.02Å; P1430-Q1432 VanDerWaalsContact C-N 3.33Å; P1430-Q1432 PolarHBondContact O-N 3.39Å; P1430-L1433 CarbonylContact O-C 3.39Å; P1430-L1433 WeakPolarHBondContact O-CB 3.41Å; P1430-L1433 PolarHBondContact O-N 3.13Å; P1430-L1433 VanDerWaalsContact O-N 3.16Å; P1430-D1434 WeakPolarHBondContact O-CB 3.31Å; P1430-D1434 PolarHBondContact O-N 3.05Å |
| 1431 | R | 81 | Confident | 83.1 | Confident | 207.6 Ų | 207.6 | 33.7 Ų | 33.7 | 78% | 0.783 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -60.5 | -42.7 | 175.5 | -68 | -175.2 | 179 | 173.3 | -0.6 | 112.4 | S1429 L1433 S1435 | S1429-R1431 PolarHBondContact O-N 3.29Å; R1431-L1433 VanDerWaalsContact C-N 3.35Å; R1431-S1435 VanDerWaalsContact O-CB 3.27Å; R1431-S1435 WeakPolarHBondContact O-CB 3.37Å; R1431-S1435 PolarHBondContact O-N 3.02Å; R1431-S1435 PolarHBondContact O-OG 3.25Å; R1431-S1435 VanDerWaalsContact O-OG 3.11Å |
| 1432 | Q | 82.1 | Confident | 83.2 | Confident | 28.6 Ų | 28.6 | 35.6 Ų | 35.6 | 13% | 0.134 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 175.6 | -159 | 177.7 | 10.6 | 0 | 0 | 111.4 | I1423 A1427 S1429 P1430 S1435 A1436 A1557 D1558 | I1423-Q1432 HydrophobicContact CG2-CG 4.12Å; A1427-Q1432 HydrophobicContact CB-CB 4.19Å; A1427-Q1432 HydrophobicContact CB-CG 4.11Å; S1429-Q1432 WeakPolarHBondContact O-CB 3.39Å; S1429-Q1432 PolarHBondContact O-N 3.25Å; S1429-Q1432 VanDerWaalsContact O-N 3.11Å; S1429-Q1432 VanDerWaalsContact OG-CB 3.24Å; S1429-Q1432 WeakPolarHBondContact OG-CB 3.34Å; S1429-Q1432 VanDerWaalsContact OG-CG 3.25Å; S1429-Q1432 WeakPolarHBondContact OG-CG 3.38Å; S1429-Q1432 PolarHBondContact OG-N 3.16Å; S1429-Q1432 VanDerWaalsContact OG-N 3.13Å; S1429-Q1432 PolarHBondContact OG-OE1 3.03Å; P1430-Q1432 VanDerWaalsContact C-N 3.33Å; P1430-Q1432 PolarHBondContact O-N 3.39Å; Q1432-S1435 VanDerWaalsContact CA-OG 3.25Å; Q1432-S1435 WeakPolarHBondContact CA-OG 3.4Å; Q1432-S1435 PolarHBondContact O-N 3.23Å; Q1432-S1435 PolarHBondContact O-OG 3.08Å; Q1432-A1436 WeakPolarHBondContact O-CB 3.4Å; Q1432-A1436 PolarHBondContact O-N 3.2Å; Q1432-A1436 VanDerWaalsContact O-N 3.1Å; Q1432-A1557 HydrophobicContact CB-CB 4.21Å; Q1432-A1557 HydrophobicContact CG-CB 4.02Å; Q1432-A1557 PolarHBondContact NE2-O 3.29Å; Q1432-D1558 PolarHBondContact NE2-OD2 3.25Å |
| 1433 | L | 84.4 | Confident | 83.3 | Confident | 13.4 Ų | 13.4 | 30.4 Ų | 30.4 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.1 | -49.9 | 177.1 | -173.8 | 149.5 | 0 | 0 | 0 | 111.3 | A1142 K1143 A1146 Y1424 A1427 S1429 P1430 R1431 S1435 A1436 A1437 | A1142-L1433 VanDerWaalsContact C-CD1 3.44Å; A1142-L1433 HydrophobicContact CB-CD1 4.25Å; A1142-L1433 VanDerWaalsContact O-CD1 3.25Å; A1142-L1433 WeakPolarHBondContact O-CD1 3.42Å; K1143-L1433 HydrophobicContact CB-CD1 4.38Å; K1143-L1433 HydrophobicContact CB-CD2 4.31Å; K1143-L1433 HydrophobicContact CD-CD2 4.39Å; K1143-L1433 HydrophobicContact CG-CD2 4.18Å; A1146-L1433 HydrophobicContact CB-CB 4.24Å; A1146-L1433 HydrophobicContact CB-CD1 3.5Å; A1146-L1433 VanDerWaalsContact CB-CD1 3.43Å; A1146-L1433 HydrophobicContact CB-CG 4.46Å; Y1424-L1433 HydrophobicContact CD2-CD1 4.44Å; Y1424-L1433 HydrophobicContact CD2-CD2 4.39Å; Y1424-L1433 HydrophobicContact CD2-CG 4Å; Y1424-L1433 HydrophobicContact CE2-CD1 4.23Å; Y1424-L1433 HydrophobicContact CE2-CD2 3.62Å; Y1424-L1433 HydrophobicContact CE2-CG 3.66Å; A1427-L1433 HydrophobicContact CB-CB 3.76Å; A1427-L1433 HydrophobicContact CB-CD1 4.4Å; A1427-L1433 HydrophobicContact CB-CG 4.46Å; S1429-L1433 PolarHBondContact O-N 3.11Å; S1429-L1433 VanDerWaalsContact O-N 3.12Å; P1430-L1433 CarbonylContact O-C 3.39Å; P1430-L1433 WeakPolarHBondContact O-CB 3.41Å; P1430-L1433 PolarHBondContact O-N 3.13Å; P1430-L1433 VanDerWaalsContact O-N 3.16Å; R1431-L1433 VanDerWaalsContact C-N 3.35Å; L1433-S1435 VanDerWaalsContact C-N 3.32Å; L1433-S1435 PolarHBondContact O-N 3.06Å; L1433-A1436 PolarHBondContact O-N 3.12Å; L1433-A1437 VanDerWaalsContact O-CB 3.29Å; L1433-A1437 WeakPolarHBondContact O-CB 3.42Å; L1433-A1437 PolarHBondContact O-N 3.17Å |
| 1434 | D | 85 | Confident | 83.5 | Confident | 43.6 Ų | 43.6 | 30.3 Ų | 30.3 | 23% | 0.233 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.8 | -34.9 | -179.1 | -69.6 | -30.5 | 0 | 0 | 0 | 111.2 | K1143 P1430 A1437 L1438 Y1500 | K1143-D1434 IonicContact NZ-OD1 2.86Å; K1143-D1434 PolarHBondContact NZ-OD1 3.07Å; K1143-D1434 VanDerWaalsContact NZ-OD1 3.16Å; P1430-D1434 WeakPolarHBondContact O-CB 3.31Å; P1430-D1434 PolarHBondContact O-N 3.05Å; D1434-A1437 PolarHBondContact O-N 3.04Å; D1434-L1438 VanDerWaalsContact O-CB 3.3Å; D1434-L1438 WeakPolarHBondContact O-CB 3.3Å; D1434-L1438 WeakPolarHBondContact O-CD1 3.36Å; D1434-L1438 VanDerWaalsContact O-CG 3.27Å; D1434-L1438 WeakPolarHBondContact O-CG 3.3Å; D1434-L1438 PolarHBondContact O-N 3.2Å; D1434-Y1500 HydrophobicContact CB-CD1 4.46Å; D1434-Y1500 HydrophobicContact CB-CE1 3.97Å; D1434-Y1500 WeakPolarHBondContact OD1-CE1 3.27Å; D1434-Y1500 VanDerWaalsContact OD1-CZ 3.28Å; D1434-Y1500 PolarHBondContact OD1-OH 3.17Å |
| 1435 | S | 86.2 | Confident | 83.5 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 173 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | R1431 Q1432 L1433 L1438 A1439 P1553 V1554 | R1431-S1435 VanDerWaalsContact O-CB 3.27Å; R1431-S1435 WeakPolarHBondContact O-CB 3.37Å; R1431-S1435 PolarHBondContact O-N 3.02Å; R1431-S1435 PolarHBondContact O-OG 3.25Å; R1431-S1435 VanDerWaalsContact O-OG 3.11Å; Q1432-S1435 VanDerWaalsContact CA-OG 3.25Å; Q1432-S1435 WeakPolarHBondContact CA-OG 3.4Å; Q1432-S1435 PolarHBondContact O-N 3.23Å; Q1432-S1435 PolarHBondContact O-OG 3.08Å; L1433-S1435 VanDerWaalsContact C-N 3.32Å; L1433-S1435 PolarHBondContact O-N 3.06Å; S1435-L1438 WeakPolarHBondContact O-CB 2.89Å; S1435-L1438 PolarHBondContact O-N 3.19Å; S1435-A1439 PolarHBondContact O-N 3.22Å; S1435-P1553 WeakPolarHBondContact CB-O 3.31Å; S1435-P1553 PolarHBondContact OG-O 3.18Å; S1435-V1554 VanDerWaalsContact C-CG2 3.49Å; S1435-V1554 VanDerWaalsContact O-CG2 3.26Å; S1435-V1554 WeakPolarHBondContact O-CG2 3.27Å |
| 1436 | A | 88.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1423 Y1424 Q1432 L1433 L1438 A1439 V1440 V1554 | I1423-A1436 HydrophobicContact CG2-CB 4.17Å; Y1424-A1436 HydrophobicContact CD2-CB 4.24Å; Q1432-A1436 WeakPolarHBondContact O-CB 3.4Å; Q1432-A1436 PolarHBondContact O-N 3.2Å; Q1432-A1436 VanDerWaalsContact O-N 3.1Å; L1433-A1436 PolarHBondContact O-N 3.12Å; A1436-L1438 VanDerWaalsContact C-N 3.33Å; A1436-L1438 PolarHBondContact O-N 2.97Å; A1436-A1439 PolarHBondContact O-N 3.09Å; A1436-V1440 WeakPolarHBondContact O-CB 3.38Å; A1436-V1440 VanDerWaalsContact O-CG2 3.29Å; A1436-V1440 WeakPolarHBondContact O-CG2 3.35Å; A1436-V1440 PolarHBondContact O-N 3.09Å; A1436-V1554 HydrophobicContact CB-CG2 4.42Å |
| 1437 | A | 87.2 | Confident | 84 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1424 L1433 D1434 V1440 Q1441 L1495 Y1500 | Y1424-A1437 HydrophobicContact CD2-CB 4.31Å; Y1424-A1437 HydrophobicContact CE2-CB 3.85Å; L1433-A1437 VanDerWaalsContact O-CB 3.29Å; L1433-A1437 WeakPolarHBondContact O-CB 3.42Å; L1433-A1437 PolarHBondContact O-N 3.17Å; D1434-A1437 PolarHBondContact O-N 3.04Å; A1437-V1440 PolarHBondContact O-N 3.09Å; A1437-Q1441 VanDerWaalsContact O-CB 3.26Å; A1437-Q1441 WeakPolarHBondContact O-CB 3.31Å; A1437-Q1441 PolarHBondContact O-N 2.97Å; A1437-L1495 HydrophobicContact CB-CD2 3.78Å; A1437-Y1500 HydrophobicContact CB-CD2 3.98Å; A1437-Y1500 HydrophobicContact CB-CE1 4.44Å; A1437-Y1500 HydrophobicContact CB-CE2 3.57Å; A1437-Y1500 VanDerWaalsContact CB-CE2 3.48Å |
| 1438 | L | 88.4 | Confident | 84 | Confident | 13.6 Ų | 13.6 | 39.1 Ų | 39.1 | 7% | 0.071 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -47.9 | 176.3 | -164.9 | 139.8 | 0 | 0 | 0 | 111.6 | D1434 S1435 A1436 V1440 Q1441 E1442 Y1500 V1502 P1553 | D1434-L1438 VanDerWaalsContact O-CB 3.3Å; D1434-L1438 WeakPolarHBondContact O-CB 3.3Å; D1434-L1438 WeakPolarHBondContact O-CD1 3.36Å; D1434-L1438 VanDerWaalsContact O-CG 3.27Å; D1434-L1438 WeakPolarHBondContact O-CG 3.3Å; D1434-L1438 PolarHBondContact O-N 3.2Å; S1435-L1438 WeakPolarHBondContact O-CB 2.89Å; S1435-L1438 PolarHBondContact O-N 3.19Å; A1436-L1438 VanDerWaalsContact C-N 3.33Å; A1436-L1438 PolarHBondContact O-N 2.97Å; L1438-V1440 PolarHBondContact O-N 3Å; L1438-Q1441 PolarHBondContact O-N 3.34Å; L1438-E1442 HydrophobicContact CD2-CG 4.33Å; L1438-E1442 HydrophobicContact CG-CG 4.45Å; L1438-E1442 PolarHBondContact O-N 3.19Å; L1438-Y1500 VanDerWaalsContact CD2-C 3.45Å; L1438-Y1500 HydrophobicContact CD2-CG 4.36Å; L1438-Y1500 HydrophobicContact CG-CD1 4.48Å; L1438-Y1500 HydrophobicContact CG-CG 4.18Å; L1438-V1502 HydrophobicContact CD1-CB 4.39Å; L1438-V1502 HydrophobicContact CD1-CG2 3.53Å; L1438-V1502 VanDerWaalsContact CD1-CG2 3.4Å; L1438-V1502 HydrophobicContact CD2-CG2 3.58Å; L1438-V1502 VanDerWaalsContact CD2-CG2 3.42Å; L1438-V1502 HydrophobicContact CG-CG2 4.06Å; L1438-P1553 HydrophobicContact CD2-CG 4.11Å |
| 1439 | A | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1420 S1435 A1436 Q1441 E1442 L1443 F1550 V1554 | L1420-A1439 HydrophobicContact CD1-CB 3.89Å; L1420-A1439 HydrophobicContact CD2-CB 4.11Å; S1435-A1439 PolarHBondContact O-N 3.22Å; A1436-A1439 PolarHBondContact O-N 3.09Å; A1439-Q1441 PolarHBondContact O-N 3.12Å; A1439-E1442 PolarHBondContact O-N 2.98Å; A1439-L1443 VanDerWaalsContact O-CB 3.27Å; A1439-L1443 WeakPolarHBondContact O-CB 3.31Å; A1439-L1443 WeakPolarHBondContact O-CG 3.23Å; A1439-L1443 PolarHBondContact O-N 3.39Å; A1439-F1550 WeakPolarHBondContact CB-O 3.43Å; A1439-V1554 HydrophobicContact CB-CG2 3.63Å |
| 1440 | V | 89.7 | Confident | 83.7 | Confident | 0.2 Ų | 0.2 | 37 Ų | 37 | 0% | 0.001 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L1417 L1420 A1436 A1437 L1438 E1442 L1443 L1444 F1492 L1495 | L1417-V1440 HydrophobicContact CD2-CB 4.44Å; L1417-V1440 HydrophobicContact CD2-CG1 4.19Å; L1417-V1440 HydrophobicContact CD2-CG2 4.31Å; L1420-V1440 HydrophobicContact CB-CG2 3.67Å; L1420-V1440 HydrophobicContact CD1-CG2 4.07Å; L1420-V1440 HydrophobicContact CG-CG2 4.48Å; A1436-V1440 WeakPolarHBondContact O-CB 3.38Å; A1436-V1440 VanDerWaalsContact O-CG2 3.29Å; A1436-V1440 WeakPolarHBondContact O-CG2 3.35Å; A1436-V1440 PolarHBondContact O-N 3.09Å; A1437-V1440 PolarHBondContact O-N 3.09Å; L1438-V1440 PolarHBondContact O-N 3Å; V1440-E1442 PolarHBondContact O-N 3.26Å; V1440-L1443 PolarHBondContact O-N 3.1Å; V1440-L1444 HydrophobicContact CG1-CD1 3.62Å; V1440-L1444 HydrophobicContact CG1-CG 4.18Å; V1440-L1444 WeakPolarHBondContact O-CB 3.31Å; V1440-L1444 WeakPolarHBondContact O-CG 3.32Å; V1440-L1444 PolarHBondContact O-N 3.17Å; V1440-F1492 HydrophobicContact CG1-CD1 3.55Å; V1440-F1492 HydrophobicContact CG1-CE1 3.71Å; V1440-F1492 HydrophobicContact CG1-CG 4.25Å; V1440-F1492 HydrophobicContact CG1-CZ 4.39Å; V1440-F1492 HydrophobicContact CG2-CE1 4.16Å; V1440-L1495 HydrophobicContact CB-CD1 3.92Å; V1440-L1495 HydrophobicContact CG1-CB 4.39Å; V1440-L1495 HydrophobicContact CG1-CD1 3.56Å |
| 1441 | Q | 88.4 | Confident | 82.7 | Confident | 1.8 Ų | 1.8 | 38.9 Ų | 38.9 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.6 | -52.2 | 178.6 | 176.8 | -167.9 | -72.8 | 0 | 0 | 111.6 | A1437 L1438 A1439 L1444 K1445 L1495 S1498 Y1500 | A1437-Q1441 VanDerWaalsContact O-CB 3.26Å; A1437-Q1441 WeakPolarHBondContact O-CB 3.31Å; A1437-Q1441 PolarHBondContact O-N 2.97Å; L1438-Q1441 PolarHBondContact O-N 3.34Å; A1439-Q1441 PolarHBondContact O-N 3.12Å; Q1441-L1444 PolarHBondContact O-N 3.28Å; Q1441-K1445 HydrophobicContact CG-CD 4.48Å; Q1441-K1445 VanDerWaalsContact O-CG 3.32Å; Q1441-K1445 WeakPolarHBondContact O-CG 3.27Å; Q1441-K1445 PolarHBondContact O-N 3.1Å; Q1441-K1445 VanDerWaalsContact O-N 3.12Å; Q1441-L1495 WeakPolarHBondContact CG-O 3.41Å; Q1441-S1498 VanDerWaalsContact CD-O 3.31Å; Q1441-S1498 PolarHBondContact OE1-O 3.04Å; Q1441-S1498 PolarHBondContact OE1-OG 3.09Å; Q1441-Y1500 PolarHBondContact NE2-O 2.98Å |
| 1442 | E | 87.6 | Confident | 81.3 | Confident | 41.4 Ų | 41.4 | 34.6 Ų | 34.6 | 19% | 0.193 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.4 | -34.1 | -176.5 | -66.4 | -51.8 | 128 | 0 | 0 | 112.4 | L1438 A1439 V1440 K1445 L1446 F1550 | L1438-E1442 HydrophobicContact CD2-CG 4.33Å; L1438-E1442 HydrophobicContact CG-CG 4.45Å; L1438-E1442 PolarHBondContact O-N 3.19Å; A1439-E1442 PolarHBondContact O-N 2.98Å; V1440-E1442 PolarHBondContact O-N 3.26Å; E1442-K1445 PolarHBondContact O-N 3.11Å; E1442-K1445 IonicContact OE1-NZ 2.89Å; E1442-K1445 PolarHBondContact OE1-NZ 3.21Å; E1442-K1445 IonicContact OE2-NZ 3.91Å; E1442-L1446 VanDerWaalsContact O-CB 3.29Å; E1442-L1446 WeakPolarHBondContact O-CB 3.39Å; E1442-L1446 WeakPolarHBondContact O-CG 3.38Å; E1442-L1446 PolarHBondContact O-N 3.32Å; E1442-F1550 HydrophobicContact CB-CB 3.94Å; E1442-F1550 HydrophobicContact CB-CD1 3.61Å; E1442-F1550 HydrophobicContact CB-CD2 3.78Å; E1442-F1550 HydrophobicContact CB-CE1 4.02Å; E1442-F1550 HydrophobicContact CB-CE2 4.16Å; E1442-F1550 HydrophobicContact CB-CG 3.5Å; E1442-F1550 VanDerWaalsContact CB-CG 3.46Å; E1442-F1550 HydrophobicContact CB-CZ 4.28Å; E1442-F1550 HydrophobicContact CG-CD1 3.94Å; E1442-F1550 HydrophobicContact CG-CE1 4.21Å; E1442-F1550 HydrophobicContact CG-CG 4.32Å |
| 1443 | L | 88.3 | Confident | 79.6 | Confident | 0.8 Ų | 0.8 | 36.8 Ų | 36.8 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 173.1 | -69.8 | 174.9 | 0 | 0 | 0 | 112 | I1416 L1417 L1420 A1439 V1440 K1445 L1446 F1447 I1547 F1550 | I1416-L1443 HydrophobicContact CG2-CD1 3.82Å; L1417-L1443 HydrophobicContact CD2-CB 4.08Å; L1417-L1443 HydrophobicContact CD2-CD1 4.24Å; L1420-L1443 HydrophobicContact CD1-CD1 3.43Å; L1420-L1443 VanDerWaalsContact CD1-CD1 3.43Å; A1439-L1443 VanDerWaalsContact O-CB 3.27Å; A1439-L1443 WeakPolarHBondContact O-CB 3.31Å; A1439-L1443 WeakPolarHBondContact O-CG 3.23Å; A1439-L1443 PolarHBondContact O-N 3.39Å; V1440-L1443 PolarHBondContact O-N 3.1Å; L1443-K1445 VanDerWaalsContact C-N 3.27Å; L1443-K1445 PolarHBondContact O-N 3.23Å; L1443-L1446 HydrophobicContact CD2-CD1 4.29Å; L1443-L1446 HydrophobicContact CD2-CD2 4.37Å; L1443-L1446 WeakPolarHBondContact O-CB 3.43Å; L1443-L1446 PolarHBondContact O-N 3.32Å; L1443-L1446 VanDerWaalsContact O-N 3.17Å; L1443-F1447 HydrophobicContact CB-CD2 4.36Å; L1443-F1447 HydrophobicContact CB-CE2 4.14Å; L1443-F1447 HydrophobicContact CD2-CE2 4.08Å; L1443-F1447 HydrophobicContact CD2-CZ 4.32Å; L1443-F1447 WeakPolarHBondContact O-CD2 3.38Å; L1443-F1447 WeakPolarHBondContact O-CG 3.16Å; L1443-F1447 PolarHBondContact O-N 3.28Å; L1443-I1547 HydrophobicContact CD2-CB 4.05Å; L1443-I1547 HydrophobicContact CD2-CG1 3.94Å; L1443-I1547 HydrophobicContact CD2-CG2 3.85Å; L1443-F1550 HydrophobicContact CD2-CD2 4.4Å |
| 1444 | L | 86.9 | Confident | 77.5 | Confident | 1.6 Ų | 1.6 | 43.6 Ų | 43.6 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -37 | 176.5 | -70.2 | 171.3 | 0 | 0 | 0 | 111.8 | L1417 V1440 Q1441 K1448 V1449 W1481 F1492 L1496 | L1417-L1444 HydrophobicContact CD1-CD2 4.06Å; L1417-L1444 HydrophobicContact CD2-CD2 4.43Å; L1417-L1444 HydrophobicContact CD2-CG 4.42Å; V1440-L1444 HydrophobicContact CG1-CD1 3.62Å; V1440-L1444 HydrophobicContact CG1-CG 4.18Å; V1440-L1444 WeakPolarHBondContact O-CB 3.31Å; V1440-L1444 WeakPolarHBondContact O-CG 3.32Å; V1440-L1444 PolarHBondContact O-N 3.17Å; Q1441-L1444 PolarHBondContact O-N 3.28Å; L1444-K1448 PolarHBondContact O-N 3.13Å; L1444-V1449 HydrophobicContact CD2-CB 4.31Å; L1444-V1449 HydrophobicContact CD2-CG1 4.45Å; L1444-V1449 HydrophobicContact CD2-CG2 3.82Å; L1444-V1449 PolarHBondContact O-N 2.97Å; L1444-V1449 VanDerWaalsContact O-N 3.12Å; L1444-W1481 HydrophobicContact CD2-CZ3 4.42Å; L1444-F1492 HydrophobicContact CD1-CB 4.02Å; L1444-F1492 HydrophobicContact CD1-CG 4.33Å; L1444-L1496 HydrophobicContact CB-CD2 3.98Å; L1444-L1496 HydrophobicContact CD1-CD2 3.86Å; L1444-L1496 HydrophobicContact CD1-CG 4.43Å; L1444-L1496 HydrophobicContact CG-CD2 4.39Å |
| 1445 | K | 85.3 | Confident | 75 | Confident | 101.4 Ų | 101.4 | 46.2 Ų | 46.2 | 44% | 0.441 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67 | -45.8 | 172.4 | -71 | 174.1 | -170.3 | 168.5 | 0 | 112 | Q1441 E1442 L1443 F1447 K1448 | Q1441-K1445 HydrophobicContact CG-CD 4.48Å; Q1441-K1445 VanDerWaalsContact O-CG 3.32Å; Q1441-K1445 WeakPolarHBondContact O-CG 3.27Å; Q1441-K1445 PolarHBondContact O-N 3.1Å; Q1441-K1445 VanDerWaalsContact O-N 3.12Å; E1442-K1445 PolarHBondContact O-N 3.11Å; E1442-K1445 IonicContact OE1-NZ 2.89Å; E1442-K1445 PolarHBondContact OE1-NZ 3.21Å; E1442-K1445 IonicContact OE2-NZ 3.91Å; L1443-K1445 VanDerWaalsContact C-N 3.27Å; L1443-K1445 PolarHBondContact O-N 3.23Å; K1445-F1447 VanDerWaalsContact C-N 3.3Å; K1445-F1447 PolarHBondContact O-N 3.08Å; K1445-K1448 PolarHBondContact O-N 3.24Å; K1445-K1448 VanDerWaalsContact O-N 3.09Å |
| 1446 | L | 83.3 | Confident | 72.5 | Confident | 44.6 Ų | 44.6 | 52.9 Ų | 52.9 | 23% | 0.234 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 178.7 | -164.1 | 121.6 | 0 | 0 | 0 | 111.5 | E1442 L1443 K1448 V1543 N1546 I1547 F1550 | E1442-L1446 VanDerWaalsContact O-CB 3.29Å; E1442-L1446 WeakPolarHBondContact O-CB 3.39Å; E1442-L1446 WeakPolarHBondContact O-CG 3.38Å; E1442-L1446 PolarHBondContact O-N 3.32Å; L1443-L1446 HydrophobicContact CD2-CD1 4.29Å; L1443-L1446 HydrophobicContact CD2-CD2 4.37Å; L1443-L1446 WeakPolarHBondContact O-CB 3.43Å; L1443-L1446 PolarHBondContact O-N 3.32Å; L1443-L1446 VanDerWaalsContact O-N 3.17Å; L1446-K1448 VanDerWaalsContact C-N 3.31Å; L1446-K1448 PolarHBondContact O-N 3.21Å; L1446-V1543 HydrophobicContact CD2-CG1 4.34Å; L1446-N1546 HydrophobicContact CD1-CB 3.84Å; L1446-N1546 VanDerWaalsContact CD1-CB 3.44Å; L1446-N1546 HydrophobicContact CD2-CB 4.24Å; L1446-I1547 HydrophobicContact CD1-CG1 4.19Å; L1446-I1547 HydrophobicContact CD2-CG1 3.96Å; L1446-F1550 HydrophobicContact CB-CE2 4.24Å; L1446-F1550 HydrophobicContact CD1-CD2 3.94Å; L1446-F1550 HydrophobicContact CD1-CE2 3.84Å; L1446-F1550 HydrophobicContact CD2-CD2 4.39Å; L1446-F1550 HydrophobicContact CD2-CE2 4.02Å; L1446-F1550 HydrophobicContact CG-CD2 3.8Å; L1446-F1550 HydrophobicContact CG-CE2 4.11Å; L1446-F1550 VanDerWaalsContact CG-CE2 3.41Å |
| 1447 | F | 83.1 | Confident | 69.9 | Low | 8.2 Ų | 8.2 | 59.9 Ų | 59.9 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 7.6 | 177.9 | -58.8 | -59.3 | 0 | 0 | 0 | 114.2 | P1413 L1417 L1443 K1445 V1449 F1474 G1477 L1480 I1547 | P1413-F1447 HydrophobicContact CB-CD1 4.42Å; P1413-F1447 HydrophobicContact CB-CD2 4.06Å; P1413-F1447 HydrophobicContact CB-CE1 3.99Å; P1413-F1447 HydrophobicContact CB-CE2 3.62Å; P1413-F1447 HydrophobicContact CB-CG 4.42Å; P1413-F1447 HydrophobicContact CB-CZ 3.57Å; P1413-F1447 HydrophobicContact CG-CD1 4.3Å; P1413-F1447 HydrophobicContact CG-CE1 3.66Å; P1413-F1447 HydrophobicContact CG-CE2 4.17Å; P1413-F1447 HydrophobicContact CG-CZ 3.59Å; P1413-F1447 VanDerWaalsContact CG-CZ 3.43Å; L1417-F1447 HydrophobicContact CD1-CD2 4.32Å; L1417-F1447 HydrophobicContact CD1-CE2 4.46Å; L1443-F1447 HydrophobicContact CB-CD2 4.36Å; L1443-F1447 HydrophobicContact CB-CE2 4.14Å; L1443-F1447 HydrophobicContact CD2-CE2 4.08Å; L1443-F1447 HydrophobicContact CD2-CZ 4.32Å; L1443-F1447 WeakPolarHBondContact O-CD2 3.38Å; L1443-F1447 WeakPolarHBondContact O-CG 3.16Å; L1443-F1447 PolarHBondContact O-N 3.28Å; K1445-F1447 VanDerWaalsContact C-N 3.3Å; K1445-F1447 PolarHBondContact O-N 3.08Å; F1447-V1449 VanDerWaalsContact C-N 3.32Å; F1447-V1449 HydrophobicContact CB-CG2 4.46Å; F1447-V1449 PolarHBondContact O-N 3.17Å; F1447-F1474 HydrophobicContact CE1-CB 4.46Å; F1447-F1474 HydrophobicContact CE1-CD2 4.43Å; F1447-G1477 PolarHBondContact O-N 3.36Å; F1447-G1477 VanDerWaalsContact O-N 3.12Å; F1447-L1480 HydrophobicContact CB-CD1 3.83Å; F1447-L1480 HydrophobicContact CB-CD2 3.88Å; F1447-L1480 HydrophobicContact CD2-CD1 4.22Å; F1447-L1480 HydrophobicContact CD2-CD2 4.15Å; F1447-L1480 HydrophobicContact CG-CD1 3.96Å; F1447-L1480 HydrophobicContact CG-CD2 4.11Å; F1447-I1547 HydrophobicContact CE1-CD1 4.27Å; F1447-I1547 HydrophobicContact CE1-CG1 4.39Å; F1447-I1547 HydrophobicContact CZ-CD1 3.73Å; F1447-I1547 HydrophobicContact CZ-CG1 3.97Å |
| 1448 | K | 78.2 | Confident | 67.3 | Low | 153.4 Ų | 153.4 | 64.7 Ų | 64.7 | 67% | 0.667 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 45.6 | 175.7 | -61.7 | 179.9 | -179.8 | 174.9 | 0 | 113.8 | L1444 K1445 L1446 W1476 G1477 | L1444-K1448 PolarHBondContact O-N 3.13Å; K1445-K1448 PolarHBondContact O-N 3.24Å; K1445-K1448 VanDerWaalsContact O-N 3.09Å; L1446-K1448 VanDerWaalsContact C-N 3.31Å; L1446-K1448 PolarHBondContact O-N 3.21Å; K1448-W1476 HydrophobicContact CB-CZ2 4.46Å; K1448-W1476 VanDerWaalsContact CB-NE1 3.27Å; K1448-W1476 HydrophobicContact CD-CH2 4.37Å; K1448-W1476 HydrophobicContact CD-CZ2 3.47Å; K1448-W1476 VanDerWaalsContact CD-CZ2 3.47Å; K1448-G1477 WeakPolarHBondContact O-CA 3.39Å |
| 1449 | V | 73.9 | Confident | 64.7 | Low | 12.6 Ų | 12.6 | 69.7 Ų | 69.7 | 8% | 0.076 | 40% | 0.401 | C | S | . | . | trans | -65.6 | 132 | 173.8 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | L1444 F1447 D1451 L1480 W1481 L1496 | L1444-V1449 HydrophobicContact CD2-CB 4.31Å; L1444-V1449 HydrophobicContact CD2-CG1 4.45Å; L1444-V1449 HydrophobicContact CD2-CG2 3.82Å; L1444-V1449 PolarHBondContact O-N 2.97Å; L1444-V1449 VanDerWaalsContact O-N 3.12Å; F1447-V1449 VanDerWaalsContact C-N 3.32Å; F1447-V1449 HydrophobicContact CB-CG2 4.46Å; F1447-V1449 PolarHBondContact O-N 3.17Å; V1449-D1451 PolarHBondContact O-N 3.1Å; V1449-L1480 HydrophobicContact CG2-CD2 4.32Å; V1449-W1481 HydrophobicContact CG1-CB 4.22Å; V1449-W1481 HydrophobicContact CG1-CD2 3.85Å; V1449-W1481 HydrophobicContact CG1-CE3 3.41Å; V1449-W1481 HydrophobicContact CG1-CG 4.23Å; V1449-W1481 HydrophobicContact CG1-CZ3 4.02Å; V1449-L1496 HydrophobicContact CB-CD2 4.34Å; V1449-L1496 HydrophobicContact CG1-CD2 4.19Å | ||
| 1450 | P | 64.2 | Low | 61.9 | Low | 62.6 Ų | 62.6 | 74.1 Ų | 74.1 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | trans | -64.7 | 134.8 | -174.2 | 22.6 | -32 | 0 | 0 | 0 | 113.2 | V1452 | P1450-V1452 PolarHBondContact O-N 3.08Å; P1450-V1452 VanDerWaalsContact O-N 3.13Å | ||
| 1451 | D | 55.1 | Low | 59.1 | Low | 69 Ų | 69 | 81.7 Ų | 81.7 | 37% | 0.369 | 47% | 0.472 | S | S | . | . | trans | -64.6 | 107.6 | 169.5 | -92.4 | -15.1 | 0 | 0 | 0 | 108.9 | V1449 G1453 K1454 | V1449-D1451 PolarHBondContact O-N 3.1Å; D1451-G1453 PolarHBondContact O-N 3.22Å; D1451-K1454 HydrophobicContact CB-CB 4.46Å; D1451-K1454 HydrophobicContact CB-CD 4.45Å; D1451-K1454 HydrophobicContact CB-CG 4.41Å; D1451-K1454 PolarHBondContact O-N 3.02Å; D1451-K1454 VanDerWaalsContact O-N 3.11Å; D1451-K1454 IonicContact OD2-NZ 3.36Å; D1451-K1454 PolarHBondContact OD2-NZ 3.14Å | ||
| 1452 | V | 52.3 | Low | 56.3 | Low | 117.2 Ų | 117.2 | 87 Ų | 87 | 71% | 0.71 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -3.6 | -179.3 | -177.8 | 0 | 0 | 0 | 0 | 113.3 | P1450 W1481 L1496 | P1450-V1452 PolarHBondContact O-N 3.08Å; P1450-V1452 VanDerWaalsContact O-N 3.13Å; V1452-W1481 HydrophobicContact CG2-CZ2 4.43Å; V1452-L1496 HydrophobicContact CG2-CD1 4.45Å |
| 1453 | G | 46.2 | Very low | 53.8 | Low | 74.4 Ų | 74.4 | 89.4 Ų | 89.4 | 77% | 0.767 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -6.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | D1451 | D1451-G1453 PolarHBondContact O-N 3.22Š|
| 1454 | K | 39.5 | Very low | 51 | Low | 157 Ų | 157 | 97.4 Ų | 97.4 | 68% | 0.683 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -105.2 | 103.4 | 178.4 | -72.3 | 176.7 | -172.4 | 146.9 | 0 | 110.1 | D1451 N1456 | D1451-K1454 HydrophobicContact CB-CB 4.46Å; D1451-K1454 HydrophobicContact CB-CD 4.45Å; D1451-K1454 HydrophobicContact CB-CG 4.41Å; D1451-K1454 PolarHBondContact O-N 3.02Å; D1451-K1454 VanDerWaalsContact O-N 3.11Å; D1451-K1454 IonicContact OD2-NZ 3.36Å; D1451-K1454 PolarHBondContact OD2-NZ 3.14Å; K1454-N1456 PolarHBondContact O-N 3.16Å; K1454-N1456 VanDerWaalsContact O-N 3.16Å |
| 1455 | S | 33.2 | Very low | 48.5 | Very low | 97 Ų | 97 | 104.5 Ų | 104.5 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | trans | -44.5 | 133.4 | 171.3 | 114.1 | 0 | 0 | 0 | 0 | 112 | N1457 | S1455-N1457 VanDerWaalsContact C-N 3.28Å; S1455-N1457 PolarHBondContact O-N 3.18Å; S1455-N1457 PolarHBondContact OG-OD1 3.03Å | ||
| 1456 | N | 34.1 | Very low | 46.2 | Very low | 154.2 Ų | 154.2 | 105 Ų | 105 | 83% | 0.825 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -40.5 | 44.8 | 173.3 | -71.6 | -16 | 0 | 0 | 0 | 117.5 | K1454 | K1454-N1456 PolarHBondContact O-N 3.16Å; K1454-N1456 VanDerWaalsContact O-N 3.16Å |
| 1457 | N | 33.7 | Very low | 44 | Very low | 146.8 Ų | 146.8 | 107.2 Ų | 107.2 | 79% | 0.785 | 65% | 0.645 | S | S | * | * | trans | -104.9 | 30.2 | 175.8 | -71.9 | 0.9 | 0 | 0 | 0 | 112.5 | S1455 | S1455-N1457 VanDerWaalsContact C-N 3.28Å; S1455-N1457 PolarHBondContact O-N 3.18Å; S1455-N1457 PolarHBondContact OG-OD1 3.03Å | ||
| 1458 | S | 31.2 | Very low | 42.1 | Very low | 101 Ų | 101 | 111.2 Ų | 111.2 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | trans | -130.4 | 60.3 | 160.5 | 64.5 | 0 | 0 | 0 | 0 | 110.5 | S1460 | S1458-S1460 PolarHBondContact O-N 3.22Å; S1458-S1460 VanDerWaalsContact O-N 3.13Å | ||
| 1459 | S | 33.9 | Very low | 40.5 | Very low | 118.8 Ų | 118.8 | 108.8 Ų | 108.8 | 83% | 0.831 | 67% | 0.669 | S | S | * | * | trans | -68.8 | 59.5 | 150 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1460 | S | 31.3 | Very low | 39.3 | Very low | 93 Ų | 93 | 111.6 Ų | 111.6 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | trans | -146.2 | 65.6 | 173.9 | -179 | 0 | 0 | 0 | 0 | 110.8 | S1458 T1462 | S1458-S1460 PolarHBondContact O-N 3.22Å; S1458-S1460 VanDerWaalsContact O-N 3.13Å; S1460-T1462 PolarHBondContact O-N 3.01Å | ||
| 1461 | L | 31.1 | Very low | 38.5 | Very low | 159.6 Ų | 159.6 | 110.7 Ų | 110.7 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | trans | -112.2 | 88.4 | 147.8 | -76.5 | 168.7 | 0 | 0 | 0 | 106.9 | A1463 | L1461-A1463 VanDerWaalsContact C-N 3.26Å; L1461-A1463 PolarHBondContact O-N 3.2Å | ||
| 1462 | T | 29.7 | Very low | 38.4 | Very low | 112.2 Ų | 112.2 | 111.4 Ų | 111.4 | 69% | 0.688 | 69% | 0.691 | S | S | * | * | trans | -41.7 | 112.2 | 156.3 | 47 | 0 | 0 | 0 | 0 | 110.2 | S1460 Q1464 | S1460-T1462 PolarHBondContact O-N 3.01Å; T1462-Q1464 VanDerWaalsContact C-N 3.33Å; T1462-Q1464 PolarHBondContact O-N 3.11Å | ||
| 1463 | A | 35.8 | Very low | 39 | Very low | 92.2 Ų | 92.2 | 107.6 Ų | 107.6 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | trans | -55.3 | 91.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | L1461 D1465 | L1461-A1463 VanDerWaalsContact C-N 3.26Å; L1461-A1463 PolarHBondContact O-N 3.2Å; A1463-D1465 VanDerWaalsContact C-N 3.34Å; A1463-D1465 PolarHBondContact O-N 3.14Å | ||
| 1464 | Q | 29.8 | Very low | 40.3 | Very low | 169.6 Ų | 169.6 | 105 Ų | 105 | 79% | 0.793 | 64% | 0.638 | S | S | * | * | trans | -148.1 | 84 | 162.2 | -88.7 | 170.6 | 10.9 | 0 | 0 | 107.6 | T1462 P1466 | T1462-Q1464 VanDerWaalsContact C-N 3.33Å; T1462-Q1464 PolarHBondContact O-N 3.11Å; Q1464-P1466 WeakPolarHBondContact O-CD 3.44Å; Q1464-P1466 VanDerWaalsContact O-N 3.08Å | ||
| 1465 | D | 33.2 | Very low | 41.8 | Very low | 148.8 Ų | 148.8 | 99.1 Ų | 99.1 | 80% | 0.796 | 61% | 0.612 | S | S | * | * | trans | -97.4 | 105 | 154.8 | -80 | -35.3 | 0 | 0 | 0 | 107.1 | A1463 A1467 | A1463-D1465 VanDerWaalsContact C-N 3.34Å; A1463-D1465 PolarHBondContact O-N 3.14Å; D1465-A1467 VanDerWaalsContact C-N 3.27Å; D1465-A1467 PolarHBondContact O-N 3.09Å; D1465-A1467 VanDerWaalsContact O-N 3.11Å | ||
| 1466 | P | 38.3 | Very low | 43.6 | Very low | 113.6 Ų | 113.6 | 99.4 Ų | 99.4 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 49.2 | -177.3 | 15.2 | -7.4 | 0 | 0 | 0 | 111.1 | Q1464 D1468 | Q1464-P1466 WeakPolarHBondContact O-CD 3.44Å; Q1464-P1466 VanDerWaalsContact O-N 3.08Å; P1466-D1468 PolarHBondContact O-N 3.19Å |
| 1467 | A | 37.1 | Very low | 45.6 | Very low | 89.4 Ų | 89.4 | 92.6 Ų | 92.6 | 74% | 0.739 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -1.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1465 S1469 | D1465-A1467 VanDerWaalsContact C-N 3.27Å; D1465-A1467 PolarHBondContact O-N 3.09Å; D1465-A1467 VanDerWaalsContact O-N 3.11Å; A1467-S1469 PolarHBondContact O-N 3.03Å; A1467-S1469 VanDerWaalsContact O-N 3.16Å |
| 1468 | D | 41.3 | Very low | 47.5 | Very low | 93 Ų | 93 | 89.1 Ų | 89.1 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | trans | -99.9 | 63.4 | -174.6 | -71.7 | -14.3 | 0 | 0 | 0 | 111.8 | P1466 S1470 L1471 | P1466-D1468 PolarHBondContact O-N 3.19Å; D1468-S1470 VanDerWaalsContact C-N 3.32Å; D1468-S1470 PolarHBondContact O-N 3.43Å; D1468-S1470 VanDerWaalsContact O-N 3.15Å; D1468-L1471 HydrophobicContact CB-CB 4.29Å; D1468-L1471 HydrophobicContact CB-CD1 3.8Å; D1468-L1471 VanDerWaalsContact CB-CD1 3.43Å; D1468-L1471 HydrophobicContact CB-CG 4.13Å; D1468-L1471 WeakPolarHBondContact O-CB 3.39Å; D1468-L1471 PolarHBondContact O-N 3.01Å; D1468-L1471 VanDerWaalsContact O-N 3.12Å; D1468-L1471 WeakPolarHBondContact OD2-CD1 3.42Å | ||
| 1469 | S | 45.9 | Very low | 49.8 | Very low | 103 Ų | 103 | 89.7 Ų | 89.7 | 72% | 0.72 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -57.6 | -24.7 | 179.6 | 59 | 0 | 0 | 0 | 0 | 114.2 | A1467 L1471 S1472 | A1467-S1469 PolarHBondContact O-N 3.03Å; A1467-S1469 VanDerWaalsContact O-N 3.16Å; S1469-L1471 PolarHBondContact O-N 3.22Å; S1469-S1472 PolarHBondContact O-N 3.09Å; S1469-S1472 PolarHBondContact O-OG 3.24Å |
| 1470 | S | 49.5 | Very low | 52 | Low | 71.8 Ų | 71.8 | 84 Ų | 84 | 50% | 0.502 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -71.4 | -23.2 | 178 | 57.5 | 0 | 0 | 0 | 0 | 114 | D1468 S1472 | D1468-S1470 VanDerWaalsContact C-N 3.32Å; D1468-S1470 PolarHBondContact O-N 3.43Å; D1468-S1470 VanDerWaalsContact O-N 3.15Å; S1470-S1472 VanDerWaalsContact C-N 3.32Å; S1470-S1472 PolarHBondContact O-N 3.15Å |
| 1471 | L | 47.1 | Very low | 54.3 | Low | 43.8 Ų | 43.8 | 81 Ų | 81 | 23% | 0.229 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -78.8 | -18.8 | -175 | -80.6 | 171.2 | 0 | 0 | 0 | 112.7 | D1468 S1469 S1473 W1476 V1543 | D1468-L1471 HydrophobicContact CB-CB 4.29Å; D1468-L1471 HydrophobicContact CB-CD1 3.8Å; D1468-L1471 VanDerWaalsContact CB-CD1 3.43Å; D1468-L1471 HydrophobicContact CB-CG 4.13Å; D1468-L1471 WeakPolarHBondContact O-CB 3.39Å; D1468-L1471 PolarHBondContact O-N 3.01Å; D1468-L1471 VanDerWaalsContact O-N 3.12Å; D1468-L1471 WeakPolarHBondContact OD2-CD1 3.42Å; S1469-L1471 PolarHBondContact O-N 3.22Å; L1471-S1473 PolarHBondContact O-N 3.23Å; L1471-S1473 VanDerWaalsContact O-N 3.09Å; L1471-W1476 VanDerWaalsContact C-CH2 3.4Å; L1471-W1476 HydrophobicContact CB-CE3 4.44Å; L1471-W1476 HydrophobicContact CB-CH2 3.63Å; L1471-W1476 VanDerWaalsContact CB-CH2 3.45Å; L1471-W1476 HydrophobicContact CB-CZ2 3.54Å; L1471-W1476 HydrophobicContact CB-CZ3 3.62Å; L1471-W1476 HydrophobicContact CD1-CH2 4.21Å; L1471-W1476 HydrophobicContact CD1-CZ2 4.46Å; L1471-W1476 HydrophobicContact CD2-CH2 3.95Å; L1471-W1476 HydrophobicContact CD2-CZ2 3.98Å; L1471-W1476 HydrophobicContact CG-CH2 4.21Å; L1471-W1476 HydrophobicContact CG-CZ2 4.23Å; L1471-W1476 VanDerWaalsContact O-CE2 3.24Å; L1471-W1476 WeakPolarHBondContact O-CH2 3.17Å; L1471-W1476 WeakPolarHBondContact O-CZ2 3.3Å; L1471-W1476 PolarHBondContact O-NE1 3.4Å; L1471-V1543 HydrophobicContact CD1-CG2 4.49Å; L1471-V1543 HydrophobicContact CD2-CB 4.4Å; L1471-V1543 HydrophobicContact CD2-CG1 3.86Å; L1471-V1543 HydrophobicContact CD2-CG2 3.55Å; L1471-V1543 VanDerWaalsContact CD2-CG2 3.5Å; L1471-V1543 HydrophobicContact CG-CG2 3.81Å |
| 1472 | S | 52.2 | Low | 56.7 | Low | 83 Ų | 83 | 78.8 Ų | 78.8 | 58% | 0.58 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -67.8 | 3.8 | -179.6 | 66.6 | 0 | 0 | 0 | 0 | 116.2 | R1410 S1469 S1470 | R1410-S1472 PolarHBondContact NH2-O 3.09Å; R1410-S1472 VanDerWaalsContact NH2-O 3.11Å; S1469-S1472 PolarHBondContact O-N 3.09Å; S1469-S1472 PolarHBondContact O-OG 3.24Å; S1470-S1472 VanDerWaalsContact C-N 3.32Å; S1470-S1472 PolarHBondContact O-N 3.15Å |
| 1473 | S | 64.5 | Low | 59.3 | Low | 38.2 Ų | 38.2 | 77.1 Ų | 77.1 | 27% | 0.267 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -83.7 | -19.9 | -175.8 | 175.2 | 0 | 0 | 0 | 0 | 114.7 | R1410 L1471 | R1410-S1473 WeakPolarHBondContact CA-O 3.45Å; R1410-S1473 WeakPolarHBondContact CD-O 3.3Å; R1410-S1473 VanDerWaalsContact CG-O 3.26Å; R1410-S1473 WeakPolarHBondContact CG-O 3.38Å; R1410-S1473 PolarHBondContact NE-O 3.12Å; L1471-S1473 PolarHBondContact O-N 3.23Å; L1471-S1473 VanDerWaalsContact O-N 3.09Å |
| 1474 | F | 74.1 | Confident | 61.6 | Low | 19 Ų | 19 | 72.9 Ų | 72.9 | 8% | 0.083 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -117.7 | 164.2 | -170.3 | -64.9 | -58.1 | 0 | 0 | 0 | 113.2 | V1407 D1409 F1412 P1413 F1447 W1476 V1543 V1544 | V1407-F1474 VanDerWaalsContact O-CE1 3.28Å; V1407-F1474 WeakPolarHBondContact O-CE1 3.27Å; V1407-F1474 VanDerWaalsContact O-CZ 3.28Å; V1407-F1474 WeakPolarHBondContact O-CZ 3.39Å; D1409-F1474 WeakPolarHBondContact O-CD1 3.32Å; D1409-F1474 WeakPolarHBondContact O-CE1 3.23Å; F1412-F1474 HydrophobicContact CB-CD1 4.45Å; F1412-F1474 HydrophobicContact CB-CE1 4.04Å; F1412-F1474 HydrophobicContact CD1-CE1 4.25Å; F1412-F1474 HydrophobicContact CD1-CZ 4.44Å; P1413-F1474 HydrophobicContact CG-CB 3.89Å; P1413-F1474 HydrophobicContact CG-CD1 3.85Å; P1413-F1474 HydrophobicContact CG-CG 3.95Å; F1447-F1474 HydrophobicContact CE1-CB 4.46Å; F1447-F1474 HydrophobicContact CE1-CD2 4.43Å; F1474-W1476 VanDerWaalsContact C-CD1 3.46Å; F1474-W1476 PolarHBondContact O-N 2.99Å; F1474-W1476 PolarHBondContact O-NE1 2.98Å; F1474-V1543 HydrophobicContact CD2-CG1 4.41Å; F1474-V1543 HydrophobicContact CE2-CG1 4.24Å; F1474-V1544 HydrophobicContact CE2-CG2 4.47Å; F1474-V1544 HydrophobicContact CZ-CG2 4.41Å |
| 1475 | F | 70.4 | Confident | 64.1 | Low | 32.6 Ų | 32.6 | 67.6 Ų | 67.6 | 14% | 0.143 | 40% | 0.398 | C | S | . | . | trans | -72.3 | 136.7 | 164.8 | -73.6 | -62 | 0 | 0 | 0 | 110.7 | R1410 R1411 E1479 L1480 L1483 | R1410-F1475 VanDerWaalsContact C-CD2 3.48Å; R1410-F1475 HydrophobicContact CB-CD2 3.98Å; R1410-F1475 HydrophobicContact CB-CE2 3.8Å; R1410-F1475 HydrophobicContact CB-CG 4.44Å; R1410-F1475 HydrophobicContact CB-CZ 4.19Å; R1410-F1475 VanDerWaalsContact O-CD2 3.29Å; R1410-F1475 WeakPolarHBondContact O-CD2 3.4Å; R1410-F1475 PolarHBondContact O-N 3.18Å; R1410-F1475 VanDerWaalsContact O-N 3.1Å; R1411-F1475 HydrophobicContact CB-CE2 4.46Å; R1411-F1475 HydrophobicContact CG-CD2 4.21Å; R1411-F1475 HydrophobicContact CG-CE2 3.71Å; F1475-E1479 HydrophobicContact CD1-CB 4.24Å; F1475-E1479 HydrophobicContact CD1-CG 3.76Å; F1475-E1479 WeakPolarHBondContact CD1-OE1 3.2Å; F1475-E1479 WeakPolarHBondContact CD1-OE2 3.49Å; F1475-E1479 HydrophobicContact CE1-CG 4.24Å; F1475-E1479 VanDerWaalsContact CE1-OE1 3.25Å; F1475-E1479 WeakPolarHBondContact CE1-OE1 3.29Å; F1475-L1480 HydrophobicContact CB-CB 4.29Å; F1475-L1480 HydrophobicContact CB-CD1 4.32Å; F1475-L1480 HydrophobicContact CB-CD2 3.43Å; F1475-L1480 VanDerWaalsContact CB-CD2 3.43Å; F1475-L1480 HydrophobicContact CB-CG 3.57Å; F1475-L1480 HydrophobicContact CG-CD2 4.39Å; F1475-L1480 WeakPolarHBondContact O-CD1 3.25Å; F1475-L1480 VanDerWaalsContact O-CG 3.3Å; F1475-L1480 WeakPolarHBondContact O-CG 3.39Å; F1475-L1483 HydrophobicContact CB-CD1 4.39Å; F1475-L1483 HydrophobicContact CD2-CD1 3.83Å; F1475-L1483 HydrophobicContact CE2-CD1 4.18Å; F1475-L1483 HydrophobicContact CG-CD1 4.08Å; F1475-L1483 HydrophobicContact CZ-CD1 4.45Å | ||
| 1476 | W | 70.9 | Confident | 66.2 | Low | 104.8 Ų | 104.8 | 67.1 Ų | 67.1 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | trans | -128.5 | 148.8 | -170.8 | -75.9 | 18.8 | 0 | 0 | 0 | 112 | K1448 L1471 F1474 S1478 E1479 L1480 | K1448-W1476 HydrophobicContact CB-CZ2 4.46Å; K1448-W1476 VanDerWaalsContact CB-NE1 3.27Å; K1448-W1476 HydrophobicContact CD-CH2 4.37Å; K1448-W1476 HydrophobicContact CD-CZ2 3.47Å; K1448-W1476 VanDerWaalsContact CD-CZ2 3.47Å; L1471-W1476 VanDerWaalsContact C-CH2 3.4Å; L1471-W1476 HydrophobicContact CB-CE3 4.44Å; L1471-W1476 HydrophobicContact CB-CH2 3.63Å; L1471-W1476 VanDerWaalsContact CB-CH2 3.45Å; L1471-W1476 HydrophobicContact CB-CZ2 3.54Å; L1471-W1476 HydrophobicContact CB-CZ3 3.62Å; L1471-W1476 HydrophobicContact CD1-CH2 4.21Å; L1471-W1476 HydrophobicContact CD1-CZ2 4.46Å; L1471-W1476 HydrophobicContact CD2-CH2 3.95Å; L1471-W1476 HydrophobicContact CD2-CZ2 3.98Å; L1471-W1476 HydrophobicContact CG-CH2 4.21Å; L1471-W1476 HydrophobicContact CG-CZ2 4.23Å; L1471-W1476 VanDerWaalsContact O-CE2 3.24Å; L1471-W1476 WeakPolarHBondContact O-CH2 3.17Å; L1471-W1476 WeakPolarHBondContact O-CZ2 3.3Å; L1471-W1476 PolarHBondContact O-NE1 3.4Å; F1474-W1476 VanDerWaalsContact C-CD1 3.46Å; F1474-W1476 PolarHBondContact O-N 2.99Å; F1474-W1476 PolarHBondContact O-NE1 2.98Å; W1476-S1478 PolarHBondContact O-N 3.08Å; W1476-E1479 WeakPolarHBondContact O-CB 3.42Å; W1476-E1479 PolarHBondContact O-N 3.16Å; W1476-E1479 VanDerWaalsContact O-N 3.13Å; W1476-L1480 PolarHBondContact O-N 3.26Å | ||
| 1477 | G | 76.6 | Confident | 68.1 | Low | 11 Ų | 11 | 66.4 Ų | 66.4 | 11% | 0.113 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | 57.6 | -123.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1447 K1448 E1479 L1480 W1481 | F1447-G1477 PolarHBondContact O-N 3.36Å; F1447-G1477 VanDerWaalsContact O-N 3.12Å; K1448-G1477 WeakPolarHBondContact O-CA 3.39Å; G1477-E1479 VanDerWaalsContact C-N 3.31Å; G1477-E1479 PolarHBondContact O-N 3.28Å; G1477-L1480 PolarHBondContact O-N 3.28Å; G1477-W1481 WeakPolarHBondContact O-CB 3.39Å; G1477-W1481 PolarHBondContact O-N 3.2Å; G1477-W1481 VanDerWaalsContact O-N 3.1Å |
| 1478 | S | 74.4 | Confident | 70.1 | Confident | 73.4 Ų | 73.4 | 62.8 Ų | 62.8 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.7 | -29.1 | -179.9 | 37.8 | 0 | 0 | 0 | 0 | 113.4 | W1476 W1481 N1482 | W1476-S1478 PolarHBondContact O-N 3.08Å; S1478-W1481 PolarHBondContact O-N 3.1Å; S1478-N1482 VanDerWaalsContact O-CB 3.3Å; S1478-N1482 WeakPolarHBondContact O-CB 3.31Å; S1478-N1482 PolarHBondContact O-N 3.19Å; S1478-N1482 PolarHBondContact O-ND2 3.4Å |
| 1479 | E | 78.6 | Confident | 72.1 | Confident | 113 Ų | 113 | 61.7 Ų | 61.7 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 177.5 | -101.7 | -179.1 | 177.9 | 0 | 0 | 110.5 | F1475 W1476 G1477 W1481 N1482 L1483 | F1475-E1479 HydrophobicContact CD1-CB 4.24Å; F1475-E1479 HydrophobicContact CD1-CG 3.76Å; F1475-E1479 WeakPolarHBondContact CD1-OE1 3.2Å; F1475-E1479 WeakPolarHBondContact CD1-OE2 3.49Å; F1475-E1479 HydrophobicContact CE1-CG 4.24Å; F1475-E1479 VanDerWaalsContact CE1-OE1 3.25Å; F1475-E1479 WeakPolarHBondContact CE1-OE1 3.29Å; W1476-E1479 WeakPolarHBondContact O-CB 3.42Å; W1476-E1479 PolarHBondContact O-N 3.16Å; W1476-E1479 VanDerWaalsContact O-N 3.13Å; G1477-E1479 VanDerWaalsContact C-N 3.31Å; G1477-E1479 PolarHBondContact O-N 3.28Å; E1479-W1481 PolarHBondContact O-N 3.18Å; E1479-N1482 PolarHBondContact O-N 3.2Å; E1479-L1483 WeakPolarHBondContact O-CG 3.29Å; E1479-L1483 PolarHBondContact O-N 2.92Å |
| 1480 | L | 80.4 | Confident | 73.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 174.4 | -162.4 | 80.1 | 0 | 0 | 0 | 111.7 | P1413 F1414 L1417 F1447 V1449 F1475 W1476 G1477 N1482 L1483 F1484 | P1413-L1480 HydrophobicContact CB-CD1 4.08Å; P1413-L1480 HydrophobicContact CB-CD2 4.19Å; F1414-L1480 HydrophobicContact CB-CD1 3.9Å; F1414-L1480 HydrophobicContact CB-CD2 4.26Å; L1417-L1480 HydrophobicContact CD1-CD2 4.06Å; F1447-L1480 HydrophobicContact CB-CD1 3.83Å; F1447-L1480 HydrophobicContact CB-CD2 3.88Å; F1447-L1480 HydrophobicContact CD2-CD1 4.22Å; F1447-L1480 HydrophobicContact CD2-CD2 4.15Å; F1447-L1480 HydrophobicContact CG-CD1 3.96Å; F1447-L1480 HydrophobicContact CG-CD2 4.11Å; V1449-L1480 HydrophobicContact CG2-CD2 4.32Å; F1475-L1480 HydrophobicContact CB-CB 4.29Å; F1475-L1480 HydrophobicContact CB-CD1 4.32Å; F1475-L1480 HydrophobicContact CB-CD2 3.43Å; F1475-L1480 VanDerWaalsContact CB-CD2 3.43Å; F1475-L1480 HydrophobicContact CB-CG 3.57Å; F1475-L1480 HydrophobicContact CG-CD2 4.39Å; F1475-L1480 WeakPolarHBondContact O-CD1 3.25Å; F1475-L1480 VanDerWaalsContact O-CG 3.3Å; F1475-L1480 WeakPolarHBondContact O-CG 3.39Å; W1476-L1480 PolarHBondContact O-N 3.26Å; G1477-L1480 PolarHBondContact O-N 3.28Å; L1480-N1482 VanDerWaalsContact C-N 3.29Å; L1480-N1482 PolarHBondContact O-N 3.2Å; L1480-L1483 HydrophobicContact CD2-CD1 4.39Å; L1480-L1483 WeakPolarHBondContact O-CB 3.45Å; L1480-L1483 PolarHBondContact O-N 3.27Å; L1480-L1483 VanDerWaalsContact O-N 3.1Å; L1480-F1484 HydrophobicContact CB-CE2 4.43Å; L1480-F1484 HydrophobicContact CD1-CE2 4.3Å; L1480-F1484 HydrophobicContact CD1-CZ 4.17Å; L1480-F1484 HydrophobicContact CG-CE2 3.9Å; L1480-F1484 HydrophobicContact CG-CZ 4.22Å; L1480-F1484 WeakPolarHBondContact O-CD2 3.34Å; L1480-F1484 WeakPolarHBondContact O-CE2 3.41Å |
| 1481 | W | 80.3 | Confident | 75.2 | Confident | 28.6 Ų | 28.6 | 58.5 Ų | 58.5 | 11% | 0.108 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -36.9 | -179.1 | -168.7 | -110.8 | 0 | 0 | 0 | 112.9 | L1444 V1449 V1452 G1477 S1478 E1479 L1483 F1484 R1489 F1492 L1496 | L1444-W1481 HydrophobicContact CD2-CZ3 4.42Å; V1449-W1481 HydrophobicContact CG1-CB 4.22Å; V1449-W1481 HydrophobicContact CG1-CD2 3.85Å; V1449-W1481 HydrophobicContact CG1-CE3 3.41Å; V1449-W1481 HydrophobicContact CG1-CG 4.23Å; V1449-W1481 HydrophobicContact CG1-CZ3 4.02Å; V1452-W1481 HydrophobicContact CG2-CZ2 4.43Å; G1477-W1481 WeakPolarHBondContact O-CB 3.39Å; G1477-W1481 PolarHBondContact O-N 3.2Å; G1477-W1481 VanDerWaalsContact O-N 3.1Å; S1478-W1481 PolarHBondContact O-N 3.1Å; E1479-W1481 PolarHBondContact O-N 3.18Å; W1481-L1483 VanDerWaalsContact C-N 3.3Å; W1481-L1483 PolarHBondContact O-N 3.12Å; W1481-F1484 HydrophobicContact CE3-CD2 4.24Å; W1481-F1484 PolarHBondContact O-N 3.24Å; W1481-R1489 HydrophobicContact CD2-CG 4.21Å; W1481-R1489 HydrophobicContact CE3-CG 4.44Å; W1481-R1489 HydrophobicContact CH2-CB 4.04Å; W1481-R1489 HydrophobicContact CH2-CG 4.25Å; W1481-R1489 WeakPolarHBondContact CH2-O 3.38Å; W1481-R1489 HydrophobicContact CZ2-CB 3.64Å; W1481-R1489 HydrophobicContact CZ2-CG 3.83Å; W1481-R1489 HydrophobicContact CZ3-CG 4.43Å; W1481-R1489 WeakPolarHBondContact O-CD 3.42Å; W1481-F1492 HydrophobicContact CH2-CB 3.99Å; W1481-F1492 HydrophobicContact CZ3-CB 3.93Å; W1481-F1492 HydrophobicContact CZ3-CD2 4.33Å; W1481-L1496 HydrophobicContact CH2-CD1 4.18Å; W1481-L1496 HydrophobicContact CZ3-CD1 4.41Å |
| 1482 | N | 81.4 | Confident | 77 | Confident | 113.6 Ų | 113.6 | 56.4 Ų | 56.4 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -74.9 | -17.7 | 179.7 | -69.5 | -18.6 | 0 | 0 | 0 | 113.4 | S1478 E1479 L1480 F1484 | S1478-N1482 VanDerWaalsContact O-CB 3.3Å; S1478-N1482 WeakPolarHBondContact O-CB 3.31Å; S1478-N1482 PolarHBondContact O-N 3.19Å; S1478-N1482 PolarHBondContact O-ND2 3.4Å; E1479-N1482 PolarHBondContact O-N 3.2Å; L1480-N1482 VanDerWaalsContact C-N 3.29Å; L1480-N1482 PolarHBondContact O-N 3.2Å; N1482-F1484 VanDerWaalsContact C-N 3.32Å |
| 1483 | L | 83.2 | Confident | 78.3 | Confident | 77.2 Ų | 77.2 | 53.8 Ų | 53.8 | 40% | 0.404 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74 | -24.5 | 173.1 | -67.8 | 172.2 | 0 | 0 | 0 | 112.2 | F1414 F1475 E1479 L1480 W1481 | F1414-L1483 HydrophobicContact CD2-CB 3.74Å; F1414-L1483 HydrophobicContact CE2-CB 3.9Å; F1414-L1483 VanDerWaalsContact CE2-O 3.3Å; F1414-L1483 WeakPolarHBondContact CE2-O 3.33Å; F1414-L1483 HydrophobicContact CG-CB 4.47Å; F1475-L1483 HydrophobicContact CB-CD1 4.39Å; F1475-L1483 HydrophobicContact CD2-CD1 3.83Å; F1475-L1483 HydrophobicContact CE2-CD1 4.18Å; F1475-L1483 HydrophobicContact CG-CD1 4.08Å; F1475-L1483 HydrophobicContact CZ-CD1 4.45Å; E1479-L1483 WeakPolarHBondContact O-CG 3.29Å; E1479-L1483 PolarHBondContact O-N 2.92Å; L1480-L1483 HydrophobicContact CD2-CD1 4.39Å; L1480-L1483 WeakPolarHBondContact O-CB 3.45Å; L1480-L1483 PolarHBondContact O-N 3.27Å; L1480-L1483 VanDerWaalsContact O-N 3.1Å; W1481-L1483 VanDerWaalsContact C-N 3.3Å; W1481-L1483 PolarHBondContact O-N 3.12Å |
| 1484 | F | 84.4 | Confident | 78.9 | Confident | 3.8 Ų | 3.8 | 53.1 Ų | 53.1 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -76.7 | 132.1 | -179.6 | -64.3 | -60.8 | 0 | 0 | 0 | 111.9 | F1414 L1417 L1480 W1481 N1482 L1488 R1489 F1492 | F1414-F1484 AromaticContact CD2-CD1 3.61Å; F1414-F1484 HydrophobicContact CD2-CD1 3.61Å; F1414-F1484 AromaticContact CD2-CE1 3.33Å; F1414-F1484 HydrophobicContact CD2-CE1 3.33Å; F1414-F1484 HydrophobicContact CD2-CG 4.42Å; F1414-F1484 AromaticContact CD2-CZ 3.94Å; F1414-F1484 HydrophobicContact CD2-CZ 3.96Å; F1414-F1484 AromaticContact CE2-CD1 3.49Å; F1414-F1484 HydrophobicContact CE2-CD1 3.49Å; F1414-F1484 VanDerWaalsContact CE2-CD1 3.47Å; F1414-F1484 AromaticContact CE2-CE1 3.7Å; F1414-F1484 HydrophobicContact CE2-CE1 3.7Å; F1414-F1484 HydrophobicContact CE2-CG 4.32Å; F1414-F1484 HydrophobicContact CG-CE1 4.25Å; L1417-F1484 HydrophobicContact CB-CE1 3.93Å; L1417-F1484 HydrophobicContact CB-CZ 3.7Å; L1417-F1484 HydrophobicContact CD1-CE2 4.13Å; L1417-F1484 HydrophobicContact CD1-CZ 3.58Å; L1417-F1484 HydrophobicContact CG-CZ 4.28Å; L1480-F1484 HydrophobicContact CB-CE2 4.43Å; L1480-F1484 HydrophobicContact CD1-CE2 4.3Å; L1480-F1484 HydrophobicContact CD1-CZ 4.17Å; L1480-F1484 HydrophobicContact CG-CE2 3.9Å; L1480-F1484 HydrophobicContact CG-CZ 4.22Å; L1480-F1484 WeakPolarHBondContact O-CD2 3.34Å; L1480-F1484 WeakPolarHBondContact O-CE2 3.41Å; W1481-F1484 HydrophobicContact CE3-CD2 4.24Å; W1481-F1484 PolarHBondContact O-N 3.24Å; N1482-F1484 VanDerWaalsContact C-N 3.32Å; F1484-L1488 HydrophobicContact CB-CB 4.27Å; F1484-L1488 HydrophobicContact CD1-CD1 4.15Å; F1484-R1489 HydrophobicContact CB-CG 3.79Å; F1484-R1489 PolarHBondContact O-NE 3.23Å; F1484-F1492 HydrophobicContact CD1-CE2 4.08Å; F1484-F1492 HydrophobicContact CD2-CD2 4.39Å; F1484-F1492 HydrophobicContact CD2-CE2 4.37Å; F1484-F1492 AromaticContact CE1-CE2 3.93Å; F1484-F1492 HydrophobicContact CE1-CE2 3.99Å; F1484-F1492 HydrophobicContact CE2-CD2 4.45Å; F1484-F1492 HydrophobicContact CE2-CE2 4.31Å; F1484-F1492 HydrophobicContact CG-CE2 4.32Å; F1484-F1492 HydrophobicContact CZ-CE2 4.13Å |
| 1485 | P | 82.3 | Confident | 79.3 | Confident | 57.6 Ų | 57.6 | 52.3 Ų | 52.3 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | trans | -59 | 157.5 | 168 | 6.9 | -8.3 | 0 | 0 | 0 | 111.8 | H1487 L1488 R1489 | P1485-H1487 VanDerWaalsContact C-N 3.35Å; P1485-H1487 WeakPolarHBondContact CB-CE1 3.38Å; P1485-H1487 WeakPolarHBondContact CB-ND1 3.48Å; P1485-H1487 VanDerWaalsContact CG-CE1 3.44Å; P1485-H1487 WeakPolarHBondContact CG-CE1 3.29Å; P1485-H1487 PolarHBondContact O-N 3Å; P1485-L1488 HydrophobicContact CG-CB 4.29Å; P1485-L1488 HydrophobicContact CG-CD1 3.96Å; P1485-L1488 HydrophobicContact CG-CG 3.97Å; P1485-L1488 PolarHBondContact O-N 3.26Å; P1485-L1488 VanDerWaalsContact O-N 3.09Å; P1485-R1489 PolarHBondContact O-N 3.29Å; P1485-R1489 VanDerWaalsContact O-N 3.13Å | ||
| 1486 | E | 76.9 | Confident | 79.7 | Confident | 139.2 Ų | 139.2 | 52 Ų | 52 | 65% | 0.65 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -52.4 | -47.7 | -175.5 | -107.3 | 172.2 | -172.8 | 0 | 0 | 113.4 | L1488 R1489 D1490 | E1486-L1488 VanDerWaalsContact C-N 3.29Å; E1486-L1488 PolarHBondContact O-N 3.14Å; E1486-R1489 VanDerWaalsContact CG-NH2 3.31Å; E1486-R1489 WeakPolarHBondContact O-CB 3.4Å; E1486-R1489 PolarHBondContact O-N 3.24Å; E1486-R1489 VanDerWaalsContact O-N 3.1Å; E1486-R1489 IonicContact OE1-NH2 3.24Å; E1486-D1490 PolarHBondContact O-N 3.14Å |
| 1487 | H | 77.9 | Confident | 79.7 | Confident | 97.4 Ų | 97.4 | 51.5 Ų | 51.5 | 45% | 0.451 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -33.8 | 179.3 | 70.2 | -85.6 | 0 | 0 | 0 | 114.1 | E1181 P1485 L1491 | E1181-H1487 IonicContact OE1-CD2 3.81Å; P1485-H1487 VanDerWaalsContact C-N 3.35Å; P1485-H1487 WeakPolarHBondContact CB-CE1 3.38Å; P1485-H1487 WeakPolarHBondContact CB-ND1 3.48Å; P1485-H1487 VanDerWaalsContact CG-CE1 3.44Å; P1485-H1487 WeakPolarHBondContact CG-CE1 3.29Å; P1485-H1487 PolarHBondContact O-N 3Å; H1487-L1491 WeakPolarHBondContact O-CB 3.41Å; H1487-L1491 PolarHBondContact O-N 3Å; H1487-L1491 VanDerWaalsContact O-N 3.13Å |
| 1488 | L | 80.8 | Confident | 79.8 | Confident | 14.4 Ų | 14.4 | 51.7 Ų | 51.7 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -76 | -35.6 | 176.1 | -69.7 | -171.4 | 0 | 0 | 0 | 111.6 | A1421 F1484 P1485 E1486 D1490 L1491 F1492 | A1421-L1488 HydrophobicContact CB-CD2 3.69Å; F1484-L1488 HydrophobicContact CB-CB 4.27Å; F1484-L1488 HydrophobicContact CD1-CD1 4.15Å; P1485-L1488 HydrophobicContact CG-CB 4.29Å; P1485-L1488 HydrophobicContact CG-CD1 3.96Å; P1485-L1488 HydrophobicContact CG-CG 3.97Å; P1485-L1488 PolarHBondContact O-N 3.26Å; P1485-L1488 VanDerWaalsContact O-N 3.09Å; E1486-L1488 VanDerWaalsContact C-N 3.29Å; E1486-L1488 PolarHBondContact O-N 3.14Å; L1488-D1490 VanDerWaalsContact C-N 3.3Å; L1488-D1490 PolarHBondContact O-N 3.2Å; L1488-L1491 HydrophobicContact CD2-CD2 4.21Å; L1488-L1491 WeakPolarHBondContact O-CB 3.4Å; L1488-L1491 PolarHBondContact O-N 2.98Å; L1488-F1492 HydrophobicContact CB-CE2 4.29Å; L1488-F1492 WeakPolarHBondContact O-CB 3.34Å; L1488-F1492 VanDerWaalsContact O-CD2 3.27Å; L1488-F1492 WeakPolarHBondContact O-CD2 3.29Å; L1488-F1492 VanDerWaalsContact O-CG 3.25Å; L1488-F1492 WeakPolarHBondContact O-CG 3.28Å; L1488-F1492 PolarHBondContact O-N 3.31Å |
| 1489 | R | 82.5 | Confident | 79.9 | Confident | 69.4 Ų | 69.4 | 59.1 Ų | 59.1 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 173.5 | -68.2 | -171.7 | -69.9 | -173.9 | 1.5 | 110.9 | W1481 F1484 P1485 E1486 L1491 F1492 A1493 | W1481-R1489 HydrophobicContact CD2-CG 4.21Å; W1481-R1489 HydrophobicContact CE3-CG 4.44Å; W1481-R1489 HydrophobicContact CH2-CB 4.04Å; W1481-R1489 HydrophobicContact CH2-CG 4.25Å; W1481-R1489 WeakPolarHBondContact CH2-O 3.38Å; W1481-R1489 HydrophobicContact CZ2-CB 3.64Å; W1481-R1489 HydrophobicContact CZ2-CG 3.83Å; W1481-R1489 HydrophobicContact CZ3-CG 4.43Å; W1481-R1489 WeakPolarHBondContact O-CD 3.42Å; F1484-R1489 HydrophobicContact CB-CG 3.79Å; F1484-R1489 PolarHBondContact O-NE 3.23Å; P1485-R1489 PolarHBondContact O-N 3.29Å; P1485-R1489 VanDerWaalsContact O-N 3.13Å; E1486-R1489 VanDerWaalsContact CG-NH2 3.31Å; E1486-R1489 WeakPolarHBondContact O-CB 3.4Å; E1486-R1489 PolarHBondContact O-N 3.24Å; E1486-R1489 VanDerWaalsContact O-N 3.1Å; E1486-R1489 IonicContact OE1-NH2 3.24Å; R1489-L1491 VanDerWaalsContact C-N 3.33Å; R1489-L1491 PolarHBondContact O-N 3.27Å; R1489-F1492 PolarHBondContact O-N 3.19Å; R1489-A1493 WeakPolarHBondContact O-CB 3.3Å; R1489-A1493 PolarHBondContact O-N 3.05Å |
| 1490 | D | 78.7 | Confident | 79.7 | Confident | 93.6 Ų | 93.6 | 55.9 Ų | 55.9 | 50% | 0.501 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 175.4 | -68.2 | -21.1 | 0 | 0 | 0 | 112.3 | E1486 L1488 F1492 P1494 | E1486-D1490 PolarHBondContact O-N 3.14Å; L1488-D1490 VanDerWaalsContact C-N 3.3Å; L1488-D1490 PolarHBondContact O-N 3.2Å; D1490-F1492 VanDerWaalsContact C-N 3.35Å; D1490-P1494 VanDerWaalsContact O-CD 3.29Å; D1490-P1494 WeakPolarHBondContact O-CD 3.39Å |
| 1491 | L | 80.9 | Confident | 79.4 | Confident | 14.4 Ų | 14.4 | 61.8 Ų | 61.8 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 175.7 | -171.3 | 68.9 | 0 | 0 | 0 | 112.3 | A1142 A1421 Y1424 L1425 H1487 L1488 R1489 P1494 | A1142-L1491 HydrophobicContact CB-CD1 4.32Å; A1421-L1491 HydrophobicContact CB-CD2 4Å; Y1424-L1491 HydrophobicContact CD1-CD1 3.77Å; Y1424-L1491 HydrophobicContact CD1-CD2 4.08Å; Y1424-L1491 HydrophobicContact CD1-CG 4.04Å; Y1424-L1491 HydrophobicContact CE1-CD1 3.63Å; Y1424-L1491 HydrophobicContact CE1-CG 4.17Å; L1425-L1491 HydrophobicContact CD1-CD2 4.25Å; L1425-L1491 HydrophobicContact CD2-CD1 3.91Å; L1425-L1491 HydrophobicContact CD2-CD2 4.17Å; L1425-L1491 HydrophobicContact CG-CD1 4.48Å; L1425-L1491 HydrophobicContact CG-CD2 4.04Å; H1487-L1491 WeakPolarHBondContact O-CB 3.41Å; H1487-L1491 PolarHBondContact O-N 3Å; H1487-L1491 VanDerWaalsContact O-N 3.13Å; L1488-L1491 HydrophobicContact CD2-CD2 4.21Å; L1488-L1491 WeakPolarHBondContact O-CB 3.4Å; L1488-L1491 PolarHBondContact O-N 2.98Å; R1489-L1491 VanDerWaalsContact C-N 3.33Å; R1489-L1491 PolarHBondContact O-N 3.27Å; L1491-P1494 WeakPolarHBondContact O-CD 3.27Å; L1491-P1494 WeakPolarHBondContact O-CG 3.29Å |
| 1492 | F | 84.9 | Confident | 79.1 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -84 | -25.5 | -178.2 | -65.2 | -24.5 | 0 | 0 | 0 | 113.9 | L1417 A1421 V1440 L1444 W1481 F1484 L1488 R1489 D1490 P1494 L1495 L1496 | L1417-F1492 HydrophobicContact CB-CE2 4.34Å; L1417-F1492 HydrophobicContact CB-CZ 4.21Å; L1417-F1492 WeakPolarHBondContact O-CZ 3.43Å; A1421-F1492 HydrophobicContact CB-CE1 3.9Å; A1421-F1492 HydrophobicContact CB-CZ 3.82Å; V1440-F1492 HydrophobicContact CG1-CD1 3.55Å; V1440-F1492 HydrophobicContact CG1-CE1 3.71Å; V1440-F1492 HydrophobicContact CG1-CG 4.25Å; V1440-F1492 HydrophobicContact CG1-CZ 4.39Å; V1440-F1492 HydrophobicContact CG2-CE1 4.16Å; L1444-F1492 HydrophobicContact CD1-CB 4.02Å; L1444-F1492 HydrophobicContact CD1-CG 4.33Å; W1481-F1492 HydrophobicContact CH2-CB 3.99Å; W1481-F1492 HydrophobicContact CZ3-CB 3.93Å; W1481-F1492 HydrophobicContact CZ3-CD2 4.33Å; F1484-F1492 HydrophobicContact CD1-CE2 4.08Å; F1484-F1492 HydrophobicContact CD2-CD2 4.39Å; F1484-F1492 HydrophobicContact CD2-CE2 4.37Å; F1484-F1492 AromaticContact CE1-CE2 3.93Å; F1484-F1492 HydrophobicContact CE1-CE2 3.99Å; F1484-F1492 HydrophobicContact CE2-CD2 4.45Å; F1484-F1492 HydrophobicContact CE2-CE2 4.31Å; F1484-F1492 HydrophobicContact CG-CE2 4.32Å; F1484-F1492 HydrophobicContact CZ-CE2 4.13Å; L1488-F1492 HydrophobicContact CB-CE2 4.29Å; L1488-F1492 WeakPolarHBondContact O-CB 3.34Å; L1488-F1492 VanDerWaalsContact O-CD2 3.27Å; L1488-F1492 WeakPolarHBondContact O-CD2 3.29Å; L1488-F1492 VanDerWaalsContact O-CG 3.25Å; L1488-F1492 WeakPolarHBondContact O-CG 3.28Å; L1488-F1492 PolarHBondContact O-N 3.31Å; R1489-F1492 PolarHBondContact O-N 3.19Å; D1490-F1492 VanDerWaalsContact C-N 3.35Å; F1492-P1494 VanDerWaalsContact C-CD 3.48Å; F1492-P1494 VanDerWaalsContact C-N 3.34Å; F1492-L1495 HydrophobicContact CD1-CD1 4.38Å; F1492-L1495 WeakPolarHBondContact O-CA 3.35Å; F1492-L1495 WeakPolarHBondContact O-CB 3.28Å; F1492-L1495 PolarHBondContact O-N 3.22Å; F1492-L1496 PolarHBondContact O-N 3.18Å |
| 1493 | A | 80.4 | Confident | 78.5 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -50.9 | -42.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1489 L1495 L1496 | R1489-A1493 WeakPolarHBondContact O-CB 3.3Å; R1489-A1493 PolarHBondContact O-N 3.05Å; A1493-L1495 VanDerWaalsContact C-N 3.32Å; A1493-L1495 PolarHBondContact O-N 3.21Å; A1493-L1496 PolarHBondContact O-N 3.3Å |
| 1494 | P | 77.2 | Confident | 78.1 | Confident | 23.8 Ų | 23.8 | 67.3 Ų | 67.3 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -32 | 174.7 | 7.7 | -8.2 | 0 | 0 | 0 | 113.2 | R1139 M1140 D1490 L1491 F1492 L1496 T1497 S1498 | R1139-P1494 HydrophobicContact CG-CG 4.1Å; M1140-P1494 HydrophobicContact SD-CB 3.74Å; M1140-P1494 WeakPolarHBondContact SD-CB 3.38Å; M1140-P1494 HydrophobicContact SD-CG 4.1Å; D1490-P1494 VanDerWaalsContact O-CD 3.29Å; D1490-P1494 WeakPolarHBondContact O-CD 3.39Å; L1491-P1494 WeakPolarHBondContact O-CD 3.27Å; L1491-P1494 WeakPolarHBondContact O-CG 3.29Å; F1492-P1494 VanDerWaalsContact C-CD 3.48Å; F1492-P1494 VanDerWaalsContact C-N 3.34Å; P1494-L1496 VanDerWaalsContact C-N 3.32Å; P1494-L1496 PolarHBondContact O-N 3.32Å; P1494-T1497 PolarHBondContact O-N 3.3Å; P1494-T1497 VanDerWaalsContact O-N 3.13Å; P1494-T1497 PolarHBondContact O-OG1 3.13Å; P1494-T1497 VanDerWaalsContact O-OG1 3.11Å; P1494-S1498 PolarHBondContact O-N 3.36Å; P1494-S1498 VanDerWaalsContact O-N 3.16Å |
| 1495 | L | 81.6 | Confident | 77.8 | Confident | 2.4 Ų | 2.4 | 70.6 Ų | 70.6 | 1% | 0.013 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74.4 | -21 | -177.1 | -61.1 | 175.1 | 0 | 0 | 0 | 113 | Y1424 A1437 V1440 Q1441 F1492 A1493 T1497 S1498 Y1500 | Y1424-L1495 HydrophobicContact CE1-CD1 4.43Å; A1437-L1495 HydrophobicContact CB-CD2 3.78Å; V1440-L1495 HydrophobicContact CB-CD1 3.92Å; V1440-L1495 HydrophobicContact CG1-CB 4.39Å; V1440-L1495 HydrophobicContact CG1-CD1 3.56Å; Q1441-L1495 WeakPolarHBondContact CG-O 3.41Å; F1492-L1495 HydrophobicContact CD1-CD1 4.38Å; F1492-L1495 WeakPolarHBondContact O-CA 3.35Å; F1492-L1495 WeakPolarHBondContact O-CB 3.28Å; F1492-L1495 PolarHBondContact O-N 3.22Å; A1493-L1495 VanDerWaalsContact C-N 3.32Å; A1493-L1495 PolarHBondContact O-N 3.21Å; L1495-T1497 PolarHBondContact O-N 3.2Å; L1495-S1498 VanDerWaalsContact CA-OG 3.31Å; L1495-S1498 WeakPolarHBondContact CA-OG 3.34Å; L1495-S1498 PolarHBondContact O-N 3.31Å; L1495-S1498 PolarHBondContact O-OG 3.11Å; L1495-S1498 VanDerWaalsContact O-OG 3.1Å; L1495-Y1500 HydrophobicContact CD2-CE2 4.16Å |
| 1496 | L | 78.6 | Confident | 77.4 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.3 | -33.1 | 170 | -66.3 | 173.5 | 0 | 0 | 0 | 112.1 | L1444 V1449 V1452 W1481 F1492 A1493 P1494 | L1444-L1496 HydrophobicContact CB-CD2 3.98Å; L1444-L1496 HydrophobicContact CD1-CD2 3.86Å; L1444-L1496 HydrophobicContact CD1-CG 4.43Å; L1444-L1496 HydrophobicContact CG-CD2 4.39Å; V1449-L1496 HydrophobicContact CB-CD2 4.34Å; V1449-L1496 HydrophobicContact CG1-CD2 4.19Å; V1452-L1496 HydrophobicContact CG2-CD1 4.45Å; W1481-L1496 HydrophobicContact CH2-CD1 4.18Å; W1481-L1496 HydrophobicContact CZ3-CD1 4.41Å; F1492-L1496 PolarHBondContact O-N 3.18Å; A1493-L1496 PolarHBondContact O-N 3.3Å; P1494-L1496 VanDerWaalsContact C-N 3.32Å; P1494-L1496 PolarHBondContact O-N 3.32Å |
| 1497 | T | 72.4 | Confident | 77.4 | Confident | 93.2 Ų | 93.2 | 71.2 Ų | 71.2 | 57% | 0.572 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -100.2 | -7.6 | -178.3 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | P1494 L1495 | P1494-T1497 PolarHBondContact O-N 3.3Å; P1494-T1497 VanDerWaalsContact O-N 3.13Å; P1494-T1497 PolarHBondContact O-OG1 3.13Å; P1494-T1497 VanDerWaalsContact O-OG1 3.11Å; L1495-T1497 PolarHBondContact O-N 3.2Å |
| 1498 | S | 77.8 | Confident | 77.3 | Confident | 16.2 Ų | 16.2 | 67.4 Ų | 67.4 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | trans | -69.7 | 159 | -179.1 | 63.1 | 0 | 0 | 0 | 0 | 112 | Q1441 P1494 L1495 | Q1441-S1498 VanDerWaalsContact CD-O 3.31Å; Q1441-S1498 PolarHBondContact OE1-O 3.04Å; Q1441-S1498 PolarHBondContact OE1-OG 3.09Å; P1494-S1498 PolarHBondContact O-N 3.36Å; P1494-S1498 VanDerWaalsContact O-N 3.16Å; L1495-S1498 VanDerWaalsContact CA-OG 3.31Å; L1495-S1498 WeakPolarHBondContact CA-OG 3.34Å; L1495-S1498 PolarHBondContact O-N 3.31Å; L1495-S1498 PolarHBondContact O-OG 3.11Å; L1495-S1498 VanDerWaalsContact O-OG 3.1Å | ||
| 1499 | R | 76.1 | Confident | 76.9 | Confident | 229 Ų | 229 | 71.5 Ų | 71.5 | 86% | 0.864 | 38% | 0.375 | S | S | * | . | trans | -127.4 | 45.1 | -177.2 | -61.4 | -173.9 | -177.9 | -173.8 | 0.3 | 111.5 | ||||
| 1500 | Y | 74.6 | Confident | 76.6 | Confident | 44.8 Ų | 44.8 | 72 Ų | 72 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | trans | -65.4 | 136.9 | 171.7 | -69 | -78.5 | 0 | 0 | 0 | 109.7 | K1143 D1434 A1437 L1438 Q1441 L1495 | K1143-Y1500 PolarHBondContact NZ-OH 3.4Å; D1434-Y1500 HydrophobicContact CB-CD1 4.46Å; D1434-Y1500 HydrophobicContact CB-CE1 3.97Å; D1434-Y1500 WeakPolarHBondContact OD1-CE1 3.27Å; D1434-Y1500 VanDerWaalsContact OD1-CZ 3.28Å; D1434-Y1500 PolarHBondContact OD1-OH 3.17Å; A1437-Y1500 HydrophobicContact CB-CD2 3.98Å; A1437-Y1500 HydrophobicContact CB-CE1 4.44Å; A1437-Y1500 HydrophobicContact CB-CE2 3.57Å; A1437-Y1500 VanDerWaalsContact CB-CE2 3.48Å; L1438-Y1500 VanDerWaalsContact CD2-C 3.45Å; L1438-Y1500 HydrophobicContact CD2-CG 4.36Å; L1438-Y1500 HydrophobicContact CG-CD1 4.48Å; L1438-Y1500 HydrophobicContact CG-CG 4.18Å; Q1441-Y1500 PolarHBondContact NE2-O 2.98Å; L1495-Y1500 HydrophobicContact CD2-CE2 4.16Å | ||
| 1501 | V | 75.4 | Confident | 76.6 | Confident | 124.6 Ų | 124.6 | 69.5 Ų | 69.5 | 76% | 0.755 | 38% | 0.38 | S | S | * | . | trans | -135.1 | 137.1 | 178.7 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1502 | V | 74.1 | Confident | 76.4 | Confident | 41.8 Ų | 41.8 | 78.7 Ų | 78.7 | 25% | 0.253 | 41% | 0.414 | S | S | . | . | trans | -83.7 | 128.8 | 171.9 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | L1438 S1504 F1505 P1553 | L1438-V1502 HydrophobicContact CD1-CB 4.39Å; L1438-V1502 HydrophobicContact CD1-CG2 3.53Å; L1438-V1502 VanDerWaalsContact CD1-CG2 3.4Å; L1438-V1502 HydrophobicContact CD2-CG2 3.58Å; L1438-V1502 VanDerWaalsContact CD2-CG2 3.42Å; L1438-V1502 HydrophobicContact CG-CG2 4.06Å; V1502-S1504 WeakPolarHBondContact CG1-O 3.33Å; V1502-F1505 HydrophobicContact CB-CE1 4.28Å; V1502-F1505 HydrophobicContact CB-CE2 4.32Å; V1502-F1505 HydrophobicContact CB-CZ 4.01Å; V1502-F1505 HydrophobicContact CG1-CD1 4.29Å; V1502-F1505 HydrophobicContact CG1-CE1 4.17Å; V1502-F1505 HydrophobicContact CG1-CE2 4.38Å; V1502-F1505 HydrophobicContact CG1-CG 4.45Å; V1502-F1505 HydrophobicContact CG1-CZ 4.3Å; V1502-F1505 HydrophobicContact CG2-CE1 4.02Å; V1502-F1505 HydrophobicContact CG2-CZ 3.91Å; V1502-P1553 HydrophobicContact CG2-CG 4.07Å | ||
| 1503 | E | 68.9 | Low | 76 | Confident | 199.6 Ų | 199.6 | 81.1 Ų | 81.1 | 93% | 0.933 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -65.6 | -43 | 178.3 | -67.1 | -179.5 | 166.4 | 0 | 0 | 112.4 | ||
| 1504 | S | 74 | Confident | 76 | Confident | 92.4 Ų | 92.4 | 81.5 Ų | 81.5 | 65% | 0.646 | 43% | 0.427 | S | S | * | . | trans | -160.2 | 141.7 | 172.6 | 57 | 0 | 0 | 0 | 0 | 111.7 | V1502 | V1502-S1504 WeakPolarHBondContact CG1-O 3.33Š| ||
| 1505 | F | 77.3 | Confident | 76.2 | Confident | 74.4 Ų | 74.4 | 80.6 Ų | 80.6 | 33% | 0.326 | 42% | 0.42 | S | S | . | . | trans | -83 | 153.4 | 169.1 | -65.1 | -78.9 | 0 | 0 | 0 | 110.3 | V1502 Q1549 E1552 | V1502-F1505 HydrophobicContact CB-CE1 4.28Å; V1502-F1505 HydrophobicContact CB-CE2 4.32Å; V1502-F1505 HydrophobicContact CB-CZ 4.01Å; V1502-F1505 HydrophobicContact CG1-CD1 4.29Å; V1502-F1505 HydrophobicContact CG1-CE1 4.17Å; V1502-F1505 HydrophobicContact CG1-CE2 4.38Å; V1502-F1505 HydrophobicContact CG1-CG 4.45Å; V1502-F1505 HydrophobicContact CG1-CZ 4.3Å; V1502-F1505 HydrophobicContact CG2-CE1 4.02Å; V1502-F1505 HydrophobicContact CG2-CZ 3.91Å; F1505-Q1549 HydrophobicContact CD1-CG 4.22Å; F1505-Q1549 HydrophobicContact CE1-CG 4.05Å; F1505-Q1549 VanDerWaalsContact CE1-O 3.32Å; F1505-Q1549 WeakPolarHBondContact CE1-O 3.37Å; F1505-Q1549 HydrophobicContact CE2-CG 4.43Å; F1505-Q1549 HydrophobicContact CG-CG 4.38Å; F1505-Q1549 HydrophobicContact CZ-CG 4.26Å; F1505-E1552 HydrophobicContact CD1-CB 4.44Å; F1505-E1552 WeakPolarHBondContact CD1-OE2 3.31Å | ||
| 1506 | I | 74.5 | Confident | 76 | Confident | 83.2 Ų | 83.2 | 80.9 Ų | 80.9 | 43% | 0.427 | 42% | 0.422 | S | S | . | . | trans | -78.9 | 139.6 | 176.7 | -73.2 | 176.8 | 0 | 0 | 0 | 109.5 | W1508 E1552 K1556 | I1506-W1508 VanDerWaalsContact C-N 3.29Å; I1506-W1508 HydrophobicContact CB-CD2 4.5Å; I1506-W1508 HydrophobicContact CB-CZ2 4.38Å; I1506-W1508 HydrophobicContact CG2-CD2 4.22Å; I1506-W1508 HydrophobicContact CG2-CE3 4.37Å; I1506-W1508 VanDerWaalsContact O-CD1 3.26Å; I1506-W1508 PolarHBondContact O-N 3.15Å; I1506-E1552 PolarHBondContact N-OE1 3.2Å; I1506-K1556 HydrophobicContact CD1-CD 4.16Å; I1506-K1556 VanDerWaalsContact CD1-CE 3.42Å; I1506-K1556 VanDerWaalsContact CD1-NZ 3.31Å; I1506-K1556 VanDerWaalsContact CG1-NZ 3.25Å | ||
| 1507 | N | 75.9 | Confident | 75.7 | Confident | 125 Ų | 125 | 82.2 Ų | 82.2 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | trans | -75.4 | 82.7 | 168.1 | -85.4 | -12.1 | 0 | 0 | 0 | 109.9 | S1509 A1510 | N1507-S1509 PolarHBondContact O-N 3.2Å; N1507-S1509 VanDerWaalsContact O-N 3.13Å; N1507-S1509 PolarHBondContact OD1-OG 3.47Å; N1507-A1510 HydrophobicContact CB-CB 4.43Å; N1507-A1510 VanDerWaalsContact O-CB 3.31Å; N1507-A1510 WeakPolarHBondContact O-CB 3.39Å; N1507-A1510 PolarHBondContact O-N 3.15Å; N1507-A1510 VanDerWaalsContact O-N 3.11Å | ||
| 1508 | W | 77.5 | Confident | 75.5 | Confident | 18.2 Ų | 18.2 | 81.9 Ų | 81.9 | 7% | 0.069 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -55.9 | -26.3 | 178.2 | -66.7 | 110.5 | 0 | 0 | 0 | 113.6 | I1506 A1510 I1511 L1530 G1533 S1534 E1552 K1556 | I1506-W1508 VanDerWaalsContact C-N 3.29Å; I1506-W1508 HydrophobicContact CB-CD2 4.5Å; I1506-W1508 HydrophobicContact CB-CZ2 4.38Å; I1506-W1508 HydrophobicContact CG2-CD2 4.22Å; I1506-W1508 HydrophobicContact CG2-CE3 4.37Å; I1506-W1508 VanDerWaalsContact O-CD1 3.26Å; I1506-W1508 PolarHBondContact O-N 3.15Å; W1508-A1510 PolarHBondContact O-N 3.15Å; W1508-I1511 HydrophobicContact CE3-CD1 3.41Å; W1508-I1511 VanDerWaalsContact CE3-CD1 3.43Å; W1508-I1511 HydrophobicContact CZ3-CD1 3.73Å; W1508-I1511 WeakPolarHBondContact O-CB 3.48Å; W1508-I1511 PolarHBondContact O-N 3.08Å; W1508-I1511 VanDerWaalsContact O-N 3.15Å; W1508-L1530 HydrophobicContact CZ3-CD2 4.28Å; W1508-G1533 WeakPolarHBondContact CB-O 3.34Å; W1508-G1533 VanDerWaalsContact CD2-C 3.45Å; W1508-G1533 VanDerWaalsContact CE3-C 3.48Å; W1508-S1534 VanDerWaalsContact CE3-N 3.33Å; W1508-E1552 HydrophobicContact CZ2-CG 3.65Å; W1508-E1552 PolarHBondContact NE1-OE1 3.04Å; W1508-E1552 PolarHBondContact NE1-OE2 3.16Å; W1508-E1552 VanDerWaalsContact NE1-OE2 3.07Å; W1508-K1556 HydrophobicContact CH2-CG 4.29Å; W1508-K1556 HydrophobicContact CZ2-CD 4.43Å; W1508-K1556 VanDerWaalsContact CZ2-CE 3.45Å; W1508-K1556 HydrophobicContact CZ2-CG 4.37Å |
| 1509 | S | 72.3 | Confident | 74.8 | Confident | 100.4 Ų | 100.4 | 87.2 Ų | 87.2 | 70% | 0.702 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -65.8 | -14.5 | 176.8 | 48.6 | 0 | 0 | 0 | 0 | 114.3 | N1507 I1511 | N1507-S1509 PolarHBondContact O-N 3.2Å; N1507-S1509 VanDerWaalsContact O-N 3.13Å; N1507-S1509 PolarHBondContact OD1-OG 3.47Å; S1509-I1511 VanDerWaalsContact C-N 3.34Å |
| 1510 | A | 75.5 | Confident | 74.1 | Confident | 79.2 Ų | 79.2 | 82 Ų | 82 | 66% | 0.655 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -82.3 | -13.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1507 W1508 R1512 | N1507-A1510 HydrophobicContact CB-CB 4.43Å; N1507-A1510 VanDerWaalsContact O-CB 3.31Å; N1507-A1510 WeakPolarHBondContact O-CB 3.39Å; N1507-A1510 PolarHBondContact O-N 3.15Å; N1507-A1510 VanDerWaalsContact O-N 3.11Å; W1508-A1510 PolarHBondContact O-N 3.15Å; A1510-R1512 PolarHBondContact O-N 3.14Å |
| 1511 | I | 77.8 | Confident | 73.7 | Confident | 41.6 Ų | 41.6 | 87.3 Ų | 87.3 | 21% | 0.213 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -74.1 | 131 | -178 | -59.6 | -179.5 | 0 | 0 | 0 | 109.5 | W1508 S1509 I1515 L1530 | W1508-I1511 HydrophobicContact CE3-CD1 3.41Å; W1508-I1511 VanDerWaalsContact CE3-CD1 3.43Å; W1508-I1511 HydrophobicContact CZ3-CD1 3.73Å; W1508-I1511 WeakPolarHBondContact O-CB 3.48Å; W1508-I1511 PolarHBondContact O-N 3.08Å; W1508-I1511 VanDerWaalsContact O-N 3.15Å; S1509-I1511 VanDerWaalsContact C-N 3.34Å; I1511-I1515 HydrophobicContact CG2-CD1 4.33Å; I1511-I1515 HydrophobicContact CG2-CG1 4.11Å; I1511-L1530 HydrophobicContact CD1-CB 4.45Å; I1511-L1530 HydrophobicContact CD1-CD2 3.94Å |
| 1512 | R | 76.7 | Confident | 73.9 | Confident | 207.6 Ų | 207.6 | 82.3 Ų | 82.3 | 78% | 0.783 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 124.3 | 176.5 | -65.5 | -177.4 | -178.5 | -179.7 | 0.6 | 110 | A1510 P1514 N1518 | A1510-R1512 PolarHBondContact O-N 3.14Å; R1512-P1514 CarbonylContact O-C 3.55Å; R1512-N1518 WeakPolarHBondContact CB-ND2 3.38Å; R1512-N1518 PolarHBondContact O-ND2 3.44Å |
| 1513 | I | 78.2 | Confident | 74.4 | Confident | 51.2 Ų | 51.2 | 85.2 Ų | 85.2 | 26% | 0.263 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -102.1 | 135.1 | 175.6 | -55.4 | 177.1 | 0 | 0 | 0 | 107.1 | I1515 A1584 S1587 E1588 | I1513-I1515 HydrophobicContact CG1-CG1 4.46Å; I1513-A1584 HydrophobicContact CD1-CB 3.51Å; I1513-A1584 HydrophobicContact CG2-CB 4.42Å; I1513-S1587 VanDerWaalsContact CG2-OG 3.3Å; I1513-S1587 WeakPolarHBondContact CG2-OG 3.32Å; I1513-E1588 HydrophobicContact CG2-CB 4.44Å |
| 1514 | P | 79.4 | Confident | 75.2 | Confident | 36.2 Ų | 36.2 | 76.8 Ų | 76.8 | 24% | 0.235 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | cis | -76.8 | 140.9 | 6.1 | 14.7 | -7.2 | 0 | 0 | 0 | 113.8 | R1512 T1517 N1518 E1588 A1591 | R1512-P1514 CarbonylContact O-C 3.55Å; P1514-T1517 HydrophobicContact CB-CG2 4.42Å; P1514-T1517 HydrophobicContact CG-CG2 4.25Å; P1514-T1517 WeakPolarHBondContact CG-OG1 3.37Å; P1514-T1517 VanDerWaalsContact O-CG2 3.3Å; P1514-T1517 WeakPolarHBondContact O-CG2 3.45Å; P1514-T1517 PolarHBondContact O-OG1 3.15Å; P1514-T1517 VanDerWaalsContact O-OG1 3.07Å; P1514-N1518 WeakPolarHBondContact O-CB 3.38Å; P1514-N1518 VanDerWaalsContact O-CG 3.27Å; P1514-N1518 PolarHBondContact O-N 3.47Å; P1514-N1518 PolarHBondContact O-ND2 3.33Å; P1514-E1588 WeakPolarHBondContact CA-OE2 3.33Å; P1514-E1588 WeakPolarHBondContact CB-OE2 3.47Å; P1514-A1591 HydrophobicContact CB-CB 3.42Å; P1514-A1591 VanDerWaalsContact CB-CB 3.43Å; P1514-A1591 HydrophobicContact CG-CB 3.82Å |
| 1515 | I | 82.2 | Confident | 75.8 | Confident | 3.8 Ų | 3.8 | 75 Ų | 75 | 2% | 0.019 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -73.1 | -43.6 | -176.6 | -57.9 | 169.9 | 0 | 0 | 0 | 109.6 | I1511 I1513 T1517 N1518 E1519 L1522 L1530 W1531 E1588 | I1511-I1515 HydrophobicContact CG2-CD1 4.33Å; I1511-I1515 HydrophobicContact CG2-CG1 4.11Å; I1513-I1515 HydrophobicContact CG1-CG1 4.46Å; I1515-T1517 VanDerWaalsContact C-N 3.26Å; I1515-T1517 PolarHBondContact O-N 3.09Å; I1515-T1517 VanDerWaalsContact O-N 3.17Å; I1515-N1518 WeakPolarHBondContact O-CB 3.2Å; I1515-N1518 PolarHBondContact O-N 3.07Å; I1515-N1518 PolarHBondContact O-ND2 3.34Å; I1515-N1518 VanDerWaalsContact O-ND2 3.09Å; I1515-E1519 PolarHBondContact O-N 3.23Å; I1515-L1522 HydrophobicContact CG2-CD1 4.13Å; I1515-L1522 VanDerWaalsContact O-CD1 3.28Å; I1515-L1522 WeakPolarHBondContact O-CD1 3.33Å; I1515-L1530 HydrophobicContact CD1-CB 4.14Å; I1515-L1530 HydrophobicContact CG2-CB 4.29Å; I1515-L1530 HydrophobicContact CG2-CD1 4.2Å; I1515-W1531 VanDerWaalsContact CD1-CA 3.47Å; I1515-W1531 HydrophobicContact CD1-CB 3.87Å; I1515-W1531 HydrophobicContact CD1-CG 4.38Å; I1515-E1588 WeakPolarHBondContact CB-OE1 3.3Å; I1515-E1588 PolarHBondContact N-OE1 3.14Å; I1515-E1588 PolarHBondContact N-OE2 3.21Å |
| 1516 | I | 77.9 | Confident | 76.2 | Confident | 9.6 Ų | 9.6 | 73.2 Ų | 73.2 | 5% | 0.049 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.9 | -18.9 | 179 | -126.7 | 177.2 | 0 | 0 | 0 | 112.5 | N1518 L1522 W1527 E1588 A1591 V1592 E1595 R1627 W1632 F1633 | I1516-N1518 VanDerWaalsContact C-N 3.32Å; I1516-N1518 PolarHBondContact O-N 2.82Å; I1516-L1522 HydrophobicContact CG1-CD2 4.45Å; I1516-W1527 HydrophobicContact CD1-CD2 4.37Å; I1516-W1527 HydrophobicContact CD1-CZ2 4.22Å; I1516-W1527 VanDerWaalsContact CG1-CD1 3.48Å; I1516-W1527 HydrophobicContact CG1-CG 4.33Å; I1516-W1527 VanDerWaalsContact CG1-NE1 3.28Å; I1516-E1588 WeakPolarHBondContact CG1-OE1 3.46Å; I1516-E1588 PolarHBondContact N-OE1 3.3Å; I1516-E1588 VanDerWaalsContact N-OE1 3.14Å; I1516-A1591 HydrophobicContact CG2-CB 3.85Å; I1516-V1592 HydrophobicContact CB-CG2 4.3Å; I1516-V1592 HydrophobicContact CD1-CB 4.14Å; I1516-V1592 HydrophobicContact CD1-CG1 4.14Å; I1516-V1592 HydrophobicContact CD1-CG2 3.61Å; I1516-V1592 HydrophobicContact CG1-CG2 4.11Å; I1516-V1592 HydrophobicContact CG2-CG2 4.1Å; I1516-E1595 HydrophobicContact CD1-CB 4.32Å; I1516-E1595 HydrophobicContact CD1-CG 4.32Å; I1516-E1595 HydrophobicContact CG1-CG 4.44Å; I1516-E1595 HydrophobicContact CG2-CB 4.33Å; I1516-E1595 HydrophobicContact CG2-CG 4.04Å; I1516-R1627 PolarHBondContact O-NH1 2.73Å; I1516-W1632 HydrophobicContact CD1-CH2 3.93Å; I1516-W1632 HydrophobicContact CD1-CZ3 4.17Å; I1516-W1632 HydrophobicContact CG1-CH2 4.2Å; I1516-F1633 HydrophobicContact CD1-CD1 4.44Å; I1516-F1633 HydrophobicContact CD1-CE1 4.15Å |
| 1517 | T | 71.9 | Confident | 77 | Confident | 55 Ų | 55 | 69.2 Ų | 69.2 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -90.6 | -21.9 | 179.6 | 54 | 0 | 0 | 0 | 0 | 112.3 | P1514 I1515 E1519 A1591 R1627 | P1514-T1517 HydrophobicContact CB-CG2 4.42Å; P1514-T1517 HydrophobicContact CG-CG2 4.25Å; P1514-T1517 WeakPolarHBondContact CG-OG1 3.37Å; P1514-T1517 VanDerWaalsContact O-CG2 3.3Å; P1514-T1517 WeakPolarHBondContact O-CG2 3.45Å; P1514-T1517 PolarHBondContact O-OG1 3.15Å; P1514-T1517 VanDerWaalsContact O-OG1 3.07Å; I1515-T1517 VanDerWaalsContact C-N 3.26Å; I1515-T1517 PolarHBondContact O-N 3.09Å; I1515-T1517 VanDerWaalsContact O-N 3.17Å; T1517-E1519 PolarHBondContact O-N 3.03Å; T1517-A1591 HydrophobicContact CG2-CB 4.33Å; T1517-R1627 PolarHBondContact O-NH1 3.16Å; T1517-R1627 PolarHBondContact O-NH2 3.32Å |
| 1518 | N | 67.7 | Low | 77.7 | Confident | 86.4 Ų | 86.4 | 63.3 Ų | 63.3 | 46% | 0.462 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -81.3 | -8.6 | -170 | -68.5 | -22 | 0 | 0 | 0 | 113.9 | R1512 P1514 I1515 I1516 V1520 L1522 R1627 | R1512-N1518 WeakPolarHBondContact CB-ND2 3.38Å; R1512-N1518 PolarHBondContact O-ND2 3.44Å; P1514-N1518 WeakPolarHBondContact O-CB 3.38Å; P1514-N1518 VanDerWaalsContact O-CG 3.27Å; P1514-N1518 PolarHBondContact O-N 3.47Å; P1514-N1518 PolarHBondContact O-ND2 3.33Å; I1515-N1518 WeakPolarHBondContact O-CB 3.2Å; I1515-N1518 PolarHBondContact O-N 3.07Å; I1515-N1518 PolarHBondContact O-ND2 3.34Å; I1515-N1518 VanDerWaalsContact O-ND2 3.09Å; I1516-N1518 VanDerWaalsContact C-N 3.32Å; I1516-N1518 PolarHBondContact O-N 2.82Å; N1518-V1520 PolarHBondContact O-N 3.23Å; N1518-L1522 HydrophobicContact CB-CD1 4.16Å; N1518-R1627 PolarHBondContact OD1-NH1 2.9Å |
| 1519 | E | 63.1 | Low | 78.3 | Confident | 127.2 Ų | 127.2 | 65.1 Ų | 65.1 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | trans | -91.7 | 111.2 | -177.9 | -65.7 | -172.8 | 176.4 | 0 | 0 | 112.2 | I1515 T1517 D1521 L1522 L1530 R1627 | I1515-E1519 PolarHBondContact O-N 3.23Å; T1517-E1519 PolarHBondContact O-N 3.03Å; E1519-D1521 PolarHBondContact O-N 3.28Å; E1519-L1522 HydrophobicContact CB-CD1 3.72Å; E1519-L1522 HydrophobicContact CB-CD2 4.13Å; E1519-L1522 HydrophobicContact CB-CG 3.61Å; E1519-L1522 WeakPolarHBondContact OE2-CD2 3.28Å; E1519-L1530 WeakPolarHBondContact OE2-CD1 3.44Å; E1519-R1627 PolarHBondContact O-NH2 3.11Å | ||
| 1520 | V | 60.5 | Low | 79 | Confident | 120.6 Ų | 120.6 | 62.6 Ų | 62.6 | 73% | 0.731 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 1.4 | -174.9 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | N1518 L1522 R1627 | N1518-V1520 PolarHBondContact O-N 3.23Å; V1520-L1522 WeakPolarHBondContact O-CG 3.31Å; V1520-L1522 PolarHBondContact O-N 3.38Å; V1520-R1627 VanDerWaalsContact C-NH2 3.29Å; V1520-R1627 VanDerWaalsContact CA-NH2 3.31Å; V1520-R1627 PolarHBondContact O-NH2 3.34Å |
| 1521 | D | 67.3 | Low | 79.8 | Confident | 154.6 Ų | 154.6 | 58.9 Ų | 58.9 | 83% | 0.827 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 45.7 | -176.4 | -60.8 | -33.9 | 0 | 0 | 0 | 113.7 | E1519 | E1519-D1521 PolarHBondContact O-N 3.28Š|
| 1522 | L | 80.3 | Confident | 80.4 | Confident | 20.4 Ų | 20.4 | 57 Ų | 57 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | trans | -78.6 | 131 | 177.3 | -93.6 | 154.8 | 0 | 0 | 0 | 111.6 | I1515 I1516 N1518 E1519 V1520 S1526 W1527 L1530 W1632 | I1515-L1522 HydrophobicContact CG2-CD1 4.13Å; I1515-L1522 VanDerWaalsContact O-CD1 3.28Å; I1515-L1522 WeakPolarHBondContact O-CD1 3.33Å; I1516-L1522 HydrophobicContact CG1-CD2 4.45Å; N1518-L1522 HydrophobicContact CB-CD1 4.16Å; E1519-L1522 HydrophobicContact CB-CD1 3.72Å; E1519-L1522 HydrophobicContact CB-CD2 4.13Å; E1519-L1522 HydrophobicContact CB-CG 3.61Å; E1519-L1522 WeakPolarHBondContact OE2-CD2 3.28Å; V1520-L1522 WeakPolarHBondContact O-CG 3.31Å; V1520-L1522 PolarHBondContact O-N 3.38Å; L1522-S1526 WeakPolarHBondContact CD2-OG 3.45Å; L1522-W1527 HydrophobicContact CD1-CB 4.47Å; L1522-W1527 HydrophobicContact CD2-CB 4.14Å; L1522-W1527 HydrophobicContact CD2-CG 4.25Å; L1522-W1527 HydrophobicContact CG-CB 4.13Å; L1522-L1530 HydrophobicContact CD1-CD1 4.3Å; L1522-L1530 HydrophobicContact CD2-CD1 4.13Å; L1522-W1632 HydrophobicContact CB-CZ2 4.18Å; L1522-W1632 HydrophobicContact CD2-CH2 3.97Å; L1522-W1632 HydrophobicContact CD2-CZ2 4.14Å; L1522-W1632 HydrophobicContact CG-CZ2 4.39Å; L1522-W1632 PolarHBondContact O-NE1 3.15Å; L1522-W1632 VanDerWaalsContact O-NE1 3.11Å | ||
| 1523 | N | 83.5 | Confident | 81 | Confident | 101.8 Ų | 101.8 | 47.2 Ų | 47.2 | 54% | 0.544 | 25% | 0.251 | S | S | . | . | trans | -99.7 | 158.8 | 164.4 | -27.9 | -2.8 | 0 | 0 | 0 | 110.4 | E1525 S1526 W1527 | N1523-E1525 VanDerWaalsContact C-N 3.29Å; N1523-E1525 PolarHBondContact O-N 3.15Å; N1523-E1525 VanDerWaalsContact O-N 3.16Å; N1523-E1525 WeakPolarHBondContact OD1-CA 3.31Å; N1523-E1525 WeakPolarHBondContact OD1-CB 3.37Å; N1523-E1525 PolarHBondContact OD1-N 3.02Å; N1523-S1526 WeakPolarHBondContact CA-OG 3.28Å; N1523-S1526 PolarHBondContact N-OG 3.05Å; N1523-S1526 VanDerWaalsContact N-OG 3.09Å; N1523-S1526 PolarHBondContact O-N 3.04Å; N1523-S1526 VanDerWaalsContact O-N 3.11Å; N1523-S1526 PolarHBondContact O-OG 3.25Å; N1523-S1526 WeakPolarHBondContact OD1-CB 2.99Å; N1523-S1526 PolarHBondContact OD1-N 3.12Å; N1523-S1526 PolarHBondContact OD1-OG 2.96Å; N1523-W1527 WeakPolarHBondContact O-CB 3.31Å; N1523-W1527 PolarHBondContact O-N 3.15Å | ||
| 1524 | Y | 85.9 | Confident | 81.5 | Confident | 23.6 Ų | 23.6 | 44.9 Ų | 44.9 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.1 | -40.5 | 176.5 | 171.9 | -99.7 | 0 | 0 | 0 | 113.3 | T1364 S1526 W1527 I1528 R1563 W1632 L1635 T1639 | T1364-Y1524 HydrophobicContact CG2-CD1 3.93Å; T1364-Y1524 HydrophobicContact CG2-CE1 4.02Å; Y1524-S1526 PolarHBondContact O-N 3.45Å; Y1524-W1527 AromaticContact CD2-CE3 3.93Å; Y1524-W1527 HydrophobicContact CD2-CE3 3.98Å; Y1524-W1527 HydrophobicContact CD2-CZ3 4.16Å; Y1524-W1527 HydrophobicContact CE2-CE3 4.2Å; Y1524-W1527 AromaticContact CE2-CZ3 3.86Å; Y1524-W1527 HydrophobicContact CE2-CZ3 3.97Å; Y1524-W1527 PolarHBondContact O-N 3.24Å; Y1524-I1528 HydrophobicContact CD1-CD1 4.15Å; Y1524-I1528 HydrophobicContact CD2-CD1 3.97Å; Y1524-I1528 HydrophobicContact CD2-CG1 4.32Å; Y1524-I1528 HydrophobicContact CE1-CD1 3.51Å; Y1524-I1528 HydrophobicContact CE1-CG2 4.38Å; Y1524-I1528 HydrophobicContact CE2-CD1 3.83Å; Y1524-I1528 HydrophobicContact CE2-CG1 4.06Å; Y1524-I1528 HydrophobicContact CG-CD1 4.37Å; Y1524-I1528 WeakPolarHBondContact O-CB 3.43Å; Y1524-I1528 WeakPolarHBondContact O-CG1 3.43Å; Y1524-I1528 VanDerWaalsContact O-CG2 3.31Å; Y1524-I1528 WeakPolarHBondContact O-CG2 3.27Å; Y1524-I1528 PolarHBondContact O-N 3.04Å; Y1524-I1528 WeakPolarHBondContact OH-CD1 3.36Å; Y1524-R1563 VanDerWaalsContact OH-CZ 3.27Å; Y1524-R1563 PolarHBondContact OH-NE 3.17Å; Y1524-R1563 VanDerWaalsContact OH-NE 3.12Å; Y1524-R1563 PolarHBondContact OH-NH1 3.37Å; Y1524-R1563 PolarHBondContact OH-NH2 3.36Å; Y1524-W1632 AromaticContact CD2-CE3 3.95Å; Y1524-W1632 HydrophobicContact CD2-CE3 4.18Å; Y1524-W1632 HydrophobicContact CD2-CZ3 4.48Å; Y1524-W1632 HydrophobicContact CG-CE3 4.36Å; Y1524-L1635 HydrophobicContact CD1-CD1 4.39Å; Y1524-L1635 HydrophobicContact CD2-CB 3.68Å; Y1524-L1635 HydrophobicContact CE2-CB 3.69Å; Y1524-L1635 VanDerWaalsContact CE2-CB 3.49Å; Y1524-L1635 HydrophobicContact CG-CB 4.15Å; Y1524-L1635 HydrophobicContact CG-CD1 4.27Å; Y1524-T1639 HydrophobicContact CE2-CG2 3.8Å; Y1524-T1639 WeakPolarHBondContact CE2-OG1 3.45Å; Y1524-T1639 WeakPolarHBondContact OH-CG2 3.36Å; Y1524-T1639 PolarHBondContact OH-OG1 3.41Å |
| 1525 | E | 85.8 | Confident | 81.9 | Confident | 55.8 Ų | 55.8 | 43.3 Ų | 43.3 | 26% | 0.261 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 178.1 | -66.5 | -165.8 | -177.1 | 0 | 0 | 112.6 | T1364 N1523 I1528 R1529 A1559 | T1364-E1525 VanDerWaalsContact CB-OE1 3.26Å; T1364-E1525 WeakPolarHBondContact CB-OE1 3.33Å; T1364-E1525 HydrophobicContact CG2-CG 3.71Å; T1364-E1525 WeakPolarHBondContact CG2-OE1 3.36Å; T1364-E1525 PolarHBondContact OG1-OE1 3.13Å; N1523-E1525 VanDerWaalsContact C-N 3.29Å; N1523-E1525 PolarHBondContact O-N 3.15Å; N1523-E1525 VanDerWaalsContact O-N 3.16Å; N1523-E1525 WeakPolarHBondContact OD1-CA 3.31Å; N1523-E1525 WeakPolarHBondContact OD1-CB 3.37Å; N1523-E1525 PolarHBondContact OD1-N 3.02Å; E1525-I1528 WeakPolarHBondContact O-CG2 3.37Å; E1525-R1529 VanDerWaalsContact O-CB 3.29Å; E1525-R1529 WeakPolarHBondContact O-CB 3.31Å; E1525-R1529 VanDerWaalsContact O-CD 3.26Å; E1525-R1529 WeakPolarHBondContact O-CD 3.35Å; E1525-R1529 WeakPolarHBondContact O-CG 3.42Å; E1525-R1529 PolarHBondContact O-N 3.21Å; E1525-R1529 VanDerWaalsContact O-N 3.14Å; E1525-R1529 IonicContact OE2-CZ 3.3Å; E1525-R1529 IonicContact OE2-NH1 3.3Å; E1525-R1529 PolarHBondContact OE2-NH1 2.96Å; E1525-R1529 VanDerWaalsContact OE2-NH1 3.08Å; E1525-R1529 IonicContact OE2-NH2 3.25Å; E1525-R1529 PolarHBondContact OE2-NH2 3.34Å; E1525-A1559 HydrophobicContact CB-CB 4.13Å; E1525-A1559 HydrophobicContact CG-CB 3.86Å |
| 1526 | S | 85.9 | Confident | 82.2 | Confident | 35.2 Ų | 35.2 | 43.6 Ų | 43.6 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.4 | -43 | 176.7 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | L1522 N1523 Y1524 R1529 L1530 | L1522-S1526 WeakPolarHBondContact CD2-OG 3.45Å; N1523-S1526 WeakPolarHBondContact CA-OG 3.28Å; N1523-S1526 PolarHBondContact N-OG 3.05Å; N1523-S1526 VanDerWaalsContact N-OG 3.09Å; N1523-S1526 PolarHBondContact O-N 3.04Å; N1523-S1526 VanDerWaalsContact O-N 3.11Å; N1523-S1526 PolarHBondContact O-OG 3.25Å; N1523-S1526 WeakPolarHBondContact OD1-CB 2.99Å; N1523-S1526 PolarHBondContact OD1-N 3.12Å; N1523-S1526 PolarHBondContact OD1-OG 2.96Å; Y1524-S1526 PolarHBondContact O-N 3.45Å; S1526-R1529 PolarHBondContact O-N 3.18Å; S1526-L1530 WeakPolarHBondContact O-CB 3.43Å; S1526-L1530 VanDerWaalsContact O-CG 3.24Å; S1526-L1530 WeakPolarHBondContact O-CG 3.38Å; S1526-L1530 PolarHBondContact O-N 3.08Å |
| 1527 | W | 91.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -51.7 | 178.6 | 172.6 | 73.1 | 0 | 0 | 0 | 112.1 | I1516 L1522 N1523 Y1524 R1529 L1530 W1531 E1588 V1592 W1632 T1639 | I1516-W1527 HydrophobicContact CD1-CD2 4.37Å; I1516-W1527 HydrophobicContact CD1-CZ2 4.22Å; I1516-W1527 VanDerWaalsContact CG1-CD1 3.48Å; I1516-W1527 HydrophobicContact CG1-CG 4.33Å; I1516-W1527 VanDerWaalsContact CG1-NE1 3.28Å; L1522-W1527 HydrophobicContact CD1-CB 4.47Å; L1522-W1527 HydrophobicContact CD2-CB 4.14Å; L1522-W1527 HydrophobicContact CD2-CG 4.25Å; L1522-W1527 HydrophobicContact CG-CB 4.13Å; N1523-W1527 WeakPolarHBondContact O-CB 3.31Å; N1523-W1527 PolarHBondContact O-N 3.15Å; Y1524-W1527 AromaticContact CD2-CE3 3.93Å; Y1524-W1527 HydrophobicContact CD2-CE3 3.98Å; Y1524-W1527 HydrophobicContact CD2-CZ3 4.16Å; Y1524-W1527 HydrophobicContact CE2-CE3 4.2Å; Y1524-W1527 AromaticContact CE2-CZ3 3.86Å; Y1524-W1527 HydrophobicContact CE2-CZ3 3.97Å; Y1524-W1527 PolarHBondContact O-N 3.24Å; W1527-R1529 VanDerWaalsContact C-N 3.31Å; W1527-R1529 PolarHBondContact O-N 3.03Å; W1527-L1530 PolarHBondContact O-N 3.11Å; W1527-W1531 AromaticContact CH2-CE3 3.47Å; W1527-W1531 HydrophobicContact CH2-CE3 3.47Å; W1527-W1531 VanDerWaalsContact CH2-CE3 3.45Å; W1527-W1531 AromaticContact CH2-CZ3 3.42Å; W1527-W1531 HydrophobicContact CH2-CZ3 3.42Å; W1527-W1531 VanDerWaalsContact CH2-CZ3 3.41Å; W1527-W1531 HydrophobicContact CZ2-CD2 4.13Å; W1527-W1531 AromaticContact CZ2-CE3 3.35Å; W1527-W1531 HydrophobicContact CZ2-CE3 3.35Å; W1527-W1531 HydrophobicContact CZ2-CH2 4.46Å; W1527-W1531 AromaticContact CZ2-CZ3 3.57Å; W1527-W1531 HydrophobicContact CZ2-CZ3 3.57Å; W1527-W1531 VanDerWaalsContact CZ2-CZ3 3.49Å; W1527-W1531 HydrophobicContact CZ3-CE3 4.24Å; W1527-W1531 HydrophobicContact CZ3-CZ3 4.38Å; W1527-W1531 VanDerWaalsContact O-CB 3.3Å; W1527-W1531 WeakPolarHBondContact O-CB 3.39Å; W1527-W1531 PolarHBondContact O-N 3.13Å; W1527-E1588 HydrophobicContact CZ2-CG 4.49Å; W1527-E1588 PolarHBondContact NE1-OE1 3.05Å; W1527-V1592 HydrophobicContact CH2-CG2 4.46Å; W1527-V1592 HydrophobicContact CZ2-CG2 3.7Å; W1527-W1632 HydrophobicContact CB-CH2 4.18Å; W1527-W1632 HydrophobicContact CB-CZ3 4.23Å; W1527-W1632 HydrophobicContact CD2-CH2 4.38Å; W1527-W1632 AromaticContact CD2-CZ3 3.85Å; W1527-W1632 HydrophobicContact CD2-CZ3 4.05Å; W1527-W1632 AromaticContact CE3-CZ3 3.91Å; W1527-W1632 HydrophobicContact CE3-CZ3 4.1Å; W1527-W1632 AromaticContact CG-CH2 3.88Å; W1527-W1632 HydrophobicContact CG-CH2 4.14Å; W1527-W1632 AromaticContact CG-CZ3 3.84Å; W1527-W1632 HydrophobicContact CG-CZ3 4.1Å; W1527-T1639 HydrophobicContact CZ3-CG2 4.48Å; W1527-T1639 WeakPolarHBondContact CZ3-OG1 3.44Å |
| 1528 | I | 90.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -36 | -178.5 | -150.6 | 102.3 | 0 | 0 | 0 | 112.3 | Y1524 E1525 L1530 W1531 S1532 A1559 A1562 R1563 L1566 T1639 | Y1524-I1528 HydrophobicContact CD1-CD1 4.15Å; Y1524-I1528 HydrophobicContact CD2-CD1 3.97Å; Y1524-I1528 HydrophobicContact CD2-CG1 4.32Å; Y1524-I1528 HydrophobicContact CE1-CD1 3.51Å; Y1524-I1528 HydrophobicContact CE1-CG2 4.38Å; Y1524-I1528 HydrophobicContact CE2-CD1 3.83Å; Y1524-I1528 HydrophobicContact CE2-CG1 4.06Å; Y1524-I1528 HydrophobicContact CG-CD1 4.37Å; Y1524-I1528 WeakPolarHBondContact O-CB 3.43Å; Y1524-I1528 WeakPolarHBondContact O-CG1 3.43Å; Y1524-I1528 VanDerWaalsContact O-CG2 3.31Å; Y1524-I1528 WeakPolarHBondContact O-CG2 3.27Å; Y1524-I1528 PolarHBondContact O-N 3.04Å; Y1524-I1528 WeakPolarHBondContact OH-CD1 3.36Å; E1525-I1528 WeakPolarHBondContact O-CG2 3.37Å; I1528-L1530 VanDerWaalsContact C-N 3.34Å; I1528-W1531 HydrophobicContact CD1-CE3 4.3Å; I1528-W1531 PolarHBondContact O-N 2.93Å; I1528-S1532 VanDerWaalsContact O-CB 3.25Å; I1528-S1532 WeakPolarHBondContact O-CB 3.41Å; I1528-S1532 PolarHBondContact O-N 3.31Å; I1528-S1532 PolarHBondContact O-OG 3.49Å; I1528-A1559 HydrophobicContact CG2-CB 3.91Å; I1528-A1562 HydrophobicContact CG1-CB 4.4Å; I1528-A1562 HydrophobicContact CG2-CB 4.23Å; I1528-R1563 HydrophobicContact CD1-CB 4Å; I1528-R1563 HydrophobicContact CD1-CG 4.03Å; I1528-R1563 HydrophobicContact CG1-CB 4.26Å; I1528-R1563 HydrophobicContact CG2-CB 4.46Å; I1528-L1566 HydrophobicContact CD1-CB 4.46Å; I1528-L1566 HydrophobicContact CD1-CD2 3.65Å; I1528-T1639 HydrophobicContact CD1-CG2 3.96Å |
| 1529 | R | 90 | Very high | 84.2 | Confident | 56.4 Ų | 56.4 | 40.9 Ų | 40.9 | 21% | 0.213 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.4 | -44.8 | 176.8 | -70 | 174.8 | 177.1 | 137.5 | 5.2 | 111.4 | E1525 S1526 W1527 S1532 G1533 V1555 K1556 A1557 A1562 | E1525-R1529 VanDerWaalsContact O-CB 3.29Å; E1525-R1529 WeakPolarHBondContact O-CB 3.31Å; E1525-R1529 VanDerWaalsContact O-CD 3.26Å; E1525-R1529 WeakPolarHBondContact O-CD 3.35Å; E1525-R1529 WeakPolarHBondContact O-CG 3.42Å; E1525-R1529 PolarHBondContact O-N 3.21Å; E1525-R1529 VanDerWaalsContact O-N 3.14Å; E1525-R1529 IonicContact OE2-CZ 3.3Å; E1525-R1529 IonicContact OE2-NH1 3.3Å; E1525-R1529 PolarHBondContact OE2-NH1 2.96Å; E1525-R1529 VanDerWaalsContact OE2-NH1 3.08Å; E1525-R1529 IonicContact OE2-NH2 3.25Å; E1525-R1529 PolarHBondContact OE2-NH2 3.34Å; S1526-R1529 PolarHBondContact O-N 3.18Å; W1527-R1529 VanDerWaalsContact C-N 3.31Å; W1527-R1529 PolarHBondContact O-N 3.03Å; R1529-S1532 PolarHBondContact O-OG 3.35Å; R1529-G1533 PolarHBondContact O-N 3.14Å; R1529-G1533 VanDerWaalsContact O-N 3.13Å; R1529-V1555 VanDerWaalsContact CG-O 3.27Å; R1529-V1555 WeakPolarHBondContact CG-O 3.35Å; R1529-K1556 VanDerWaalsContact CD-O 3.27Å; R1529-K1556 WeakPolarHBondContact CD-O 3.31Å; R1529-K1556 PolarHBondContact NE-O 3.21Å; R1529-K1556 VanDerWaalsContact NE-O 3.1Å; R1529-A1557 PolarHBondContact NH2-O 3.2Å; R1529-A1562 HydrophobicContact CG-CB 4.3Å |
| 1530 | L | 88.8 | Confident | 85.2 | Confident | 47.8 Ų | 47.8 | 40.8 Ų | 40.8 | 25% | 0.25 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 177.5 | -69 | 171.2 | 0 | 0 | 0 | 111.4 | W1508 I1511 I1515 E1519 L1522 S1526 W1527 I1528 S1534 | W1508-L1530 HydrophobicContact CZ3-CD2 4.28Å; I1511-L1530 HydrophobicContact CD1-CB 4.45Å; I1511-L1530 HydrophobicContact CD1-CD2 3.94Å; I1515-L1530 HydrophobicContact CD1-CB 4.14Å; I1515-L1530 HydrophobicContact CG2-CB 4.29Å; I1515-L1530 HydrophobicContact CG2-CD1 4.2Å; E1519-L1530 WeakPolarHBondContact OE2-CD1 3.44Å; L1522-L1530 HydrophobicContact CD1-CD1 4.3Å; L1522-L1530 HydrophobicContact CD2-CD1 4.13Å; S1526-L1530 WeakPolarHBondContact O-CB 3.43Å; S1526-L1530 VanDerWaalsContact O-CG 3.24Å; S1526-L1530 WeakPolarHBondContact O-CG 3.38Å; S1526-L1530 PolarHBondContact O-N 3.08Å; W1527-L1530 PolarHBondContact O-N 3.11Å; I1528-L1530 VanDerWaalsContact C-N 3.34Å; L1530-S1534 VanDerWaalsContact O-CB 3.3Å; L1530-S1534 WeakPolarHBondContact O-CB 3.34Å; L1530-S1534 PolarHBondContact O-N 3Å; L1530-S1534 PolarHBondContact O-OG 3.34Å |
| 1531 | W | 91.6 | Very high | 86.3 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.5 | -48.1 | -178.6 | -170.8 | 27.8 | 0 | 0 | 0 | 112.6 | I1515 W1527 I1528 G1533 S1534 L1535 L1566 L1585 E1588 I1589 I1640 L1643 | I1515-W1531 VanDerWaalsContact CD1-CA 3.47Å; I1515-W1531 HydrophobicContact CD1-CB 3.87Å; I1515-W1531 HydrophobicContact CD1-CG 4.38Å; W1527-W1531 AromaticContact CH2-CE3 3.47Å; W1527-W1531 HydrophobicContact CH2-CE3 3.47Å; W1527-W1531 VanDerWaalsContact CH2-CE3 3.45Å; W1527-W1531 AromaticContact CH2-CZ3 3.42Å; W1527-W1531 HydrophobicContact CH2-CZ3 3.42Å; W1527-W1531 VanDerWaalsContact CH2-CZ3 3.41Å; W1527-W1531 HydrophobicContact CZ2-CD2 4.13Å; W1527-W1531 AromaticContact CZ2-CE3 3.35Å; W1527-W1531 HydrophobicContact CZ2-CE3 3.35Å; W1527-W1531 HydrophobicContact CZ2-CH2 4.46Å; W1527-W1531 AromaticContact CZ2-CZ3 3.57Å; W1527-W1531 HydrophobicContact CZ2-CZ3 3.57Å; W1527-W1531 VanDerWaalsContact CZ2-CZ3 3.49Å; W1527-W1531 HydrophobicContact CZ3-CE3 4.24Å; W1527-W1531 HydrophobicContact CZ3-CZ3 4.38Å; W1527-W1531 VanDerWaalsContact O-CB 3.3Å; W1527-W1531 WeakPolarHBondContact O-CB 3.39Å; W1527-W1531 PolarHBondContact O-N 3.13Å; I1528-W1531 HydrophobicContact CD1-CE3 4.3Å; I1528-W1531 PolarHBondContact O-N 2.93Å; W1531-G1533 VanDerWaalsContact C-N 3.32Å; W1531-G1533 PolarHBondContact O-N 3.22Å; W1531-S1534 PolarHBondContact O-N 3.25Å; W1531-S1534 PolarHBondContact O-OG 3.09Å; W1531-L1535 HydrophobicContact CD2-CD1 4.41Å; W1531-L1535 HydrophobicContact CG-CD1 4.35Å; W1531-L1535 HydrophobicContact CZ2-CD1 4.44Å; W1531-L1535 WeakPolarHBondContact O-CB 3.25Å; W1531-L1535 WeakPolarHBondContact O-CG 3.27Å; W1531-L1535 PolarHBondContact O-N 3.15Å; W1531-L1535 VanDerWaalsContact O-N 3.08Å; W1531-L1566 HydrophobicContact CD2-CD1 3.81Å; W1531-L1566 HydrophobicContact CD2-CD2 4.19Å; W1531-L1566 HydrophobicContact CE3-CD1 3.99Å; W1531-L1566 HydrophobicContact CE3-CD2 3.48Å; W1531-L1566 VanDerWaalsContact CE3-CD2 3.48Å; W1531-L1566 HydrophobicContact CE3-CG 4.39Å; W1531-L1566 HydrophobicContact CG-CD1 4.2Å; W1531-L1566 HydrophobicContact CH2-CD2 4.08Å; W1531-L1566 HydrophobicContact CZ2-CD1 4.46Å; W1531-L1566 HydrophobicContact CZ3-CD1 4.37Å; W1531-L1566 HydrophobicContact CZ3-CD2 3.42Å; W1531-L1566 VanDerWaalsContact CZ3-CD2 3.43Å; W1531-L1566 HydrophobicContact CZ3-CG 4.43Å; W1531-L1585 HydrophobicContact CZ2-CD1 3.86Å; W1531-E1588 HydrophobicContact CD2-CG 3.95Å; W1531-E1588 VanDerWaalsContact CE2-CG 3.48Å; W1531-E1588 HydrophobicContact CE3-CG 4.49Å; W1531-E1588 HydrophobicContact CG-CG 4.15Å; W1531-E1588 HydrophobicContact CH2-CG 4.49Å; W1531-E1588 HydrophobicContact CZ2-CB 4.06Å; W1531-E1588 HydrophobicContact CZ2-CG 3.98Å; W1531-I1589 HydrophobicContact CH2-CG1 4.11Å; W1531-I1589 HydrophobicContact CZ2-CG1 4.03Å; W1531-I1640 HydrophobicContact CH2-CG1 3.93Å; W1531-I1640 HydrophobicContact CZ3-CG1 4.14Å; W1531-L1643 HydrophobicContact CH2-CD2 4.12Å; W1531-L1643 HydrophobicContact CZ2-CD2 4.47Å |
| 1532 | S | 90.8 | Very high | 87 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | I1528 R1529 L1535 S1536 V1555 A1562 L1566 | I1528-S1532 VanDerWaalsContact O-CB 3.25Å; I1528-S1532 WeakPolarHBondContact O-CB 3.41Å; I1528-S1532 PolarHBondContact O-N 3.31Å; I1528-S1532 PolarHBondContact O-OG 3.49Å; R1529-S1532 PolarHBondContact O-OG 3.35Å; S1532-L1535 PolarHBondContact O-N 2.92Å; S1532-S1536 PolarHBondContact O-N 3.2Å; S1532-S1536 VanDerWaalsContact O-N 3.12Å; S1532-V1555 WeakPolarHBondContact OG-CG1 3.36Å; S1532-A1562 VanDerWaalsContact CB-O 3.27Å; S1532-A1562 WeakPolarHBondContact CB-O 3.37Å; S1532-A1562 PolarHBondContact OG-O 3.27Å; S1532-L1566 PolarHBondContact OG-N 3.32Å |
| 1533 | G | 88.6 | Confident | 87.1 | Confident | 2.2 Ų | 2.2 | 33 Ų | 33 | 2% | 0.023 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.1 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W1508 R1529 W1531 L1535 S1536 | W1508-G1533 WeakPolarHBondContact CB-O 3.34Å; W1508-G1533 VanDerWaalsContact CD2-C 3.45Å; W1508-G1533 VanDerWaalsContact CE3-C 3.48Å; R1529-G1533 PolarHBondContact O-N 3.14Å; R1529-G1533 VanDerWaalsContact O-N 3.13Å; W1531-G1533 VanDerWaalsContact C-N 3.32Å; W1531-G1533 PolarHBondContact O-N 3.22Å; G1533-L1535 VanDerWaalsContact C-N 3.34Å; G1533-L1535 PolarHBondContact O-N 3.17Å; G1533-S1536 PolarHBondContact O-N 3.32Å; G1533-S1536 PolarHBondContact O-OG 3.11Å |
| 1534 | S | 88 | Confident | 87.2 | Confident | 2.4 Ų | 2.4 | 28.4 Ų | 28.4 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 178.1 | 84 | 0 | 0 | 0 | 0 | 112.2 | W1508 L1530 W1531 S1536 S1537 H1538 | W1508-S1534 VanDerWaalsContact CE3-N 3.33Å; L1530-S1534 VanDerWaalsContact O-CB 3.3Å; L1530-S1534 WeakPolarHBondContact O-CB 3.34Å; L1530-S1534 PolarHBondContact O-N 3Å; L1530-S1534 PolarHBondContact O-OG 3.34Å; W1531-S1534 PolarHBondContact O-N 3.25Å; W1531-S1534 PolarHBondContact O-OG 3.09Å; S1534-S1536 VanDerWaalsContact C-N 3.33Å; S1534-S1536 PolarHBondContact O-N 3.1Å; S1534-S1537 WeakPolarHBondContact O-CB 3.25Å; S1534-S1537 PolarHBondContact O-N 3.27Å; S1534-S1537 PolarHBondContact O-OG 2.98Å; S1534-H1538 PolarHBondContact O-CD2 3.09Å |
| 1535 | L | 88.5 | Confident | 87.3 | Confident | 1.6 Ų | 1.6 | 30.5 Ų | 30.5 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.7 | -35.8 | -180 | -133.4 | 100.9 | 0 | 0 | 0 | 112.6 | W1531 S1532 G1533 S1537 H1538 L1566 A1570 V1573 L1585 | W1531-L1535 HydrophobicContact CD2-CD1 4.41Å; W1531-L1535 HydrophobicContact CG-CD1 4.35Å; W1531-L1535 HydrophobicContact CZ2-CD1 4.44Å; W1531-L1535 WeakPolarHBondContact O-CB 3.25Å; W1531-L1535 WeakPolarHBondContact O-CG 3.27Å; W1531-L1535 PolarHBondContact O-N 3.15Å; W1531-L1535 VanDerWaalsContact O-N 3.08Å; S1532-L1535 PolarHBondContact O-N 2.92Å; G1533-L1535 VanDerWaalsContact C-N 3.34Å; G1533-L1535 PolarHBondContact O-N 3.17Å; L1535-S1537 PolarHBondContact O-N 3.01Å; L1535-S1537 VanDerWaalsContact O-N 3.15Å; L1535-H1538 PolarHBondContact O-N 3.21Å; L1535-H1538 VanDerWaalsContact O-N 3.12Å; L1535-L1566 HydrophobicContact CD1-CD1 3.3Å; L1535-L1566 HydrophobicContact CD2-CD1 3.75Å; L1535-A1570 HydrophobicContact CD2-CB 3.78Å; L1535-V1573 HydrophobicContact CD1-CB 4.43Å; L1535-V1573 HydrophobicContact CD1-CG1 4.25Å; L1535-V1573 HydrophobicContact CD1-CG2 4.02Å; L1535-V1573 HydrophobicContact CG-CG2 4.14Å; L1535-L1585 HydrophobicContact CD1-CB 4.08Å; L1535-L1585 HydrophobicContact CD1-CD1 4.04Å; L1535-L1585 HydrophobicContact CD2-CB 3.93Å; L1535-L1585 HydrophobicContact CD2-CD1 3.9Å; L1535-L1585 HydrophobicContact CD2-CG 4.49Å; L1535-L1585 HydrophobicContact CG-CD1 4.46Å |
| 1536 | S | 87.5 | Confident | 87.3 | Confident | 11.6 Ų | 11.6 | 30.5 Ų | 30.5 | 8% | 0.081 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -26.9 | 177.7 | 74.8 | 0 | 0 | 0 | 0 | 113.4 | S1532 G1533 S1534 H1538 I1539 | S1532-S1536 PolarHBondContact O-N 3.2Å; S1532-S1536 VanDerWaalsContact O-N 3.12Å; G1533-S1536 PolarHBondContact O-N 3.32Å; G1533-S1536 PolarHBondContact O-OG 3.11Å; S1534-S1536 VanDerWaalsContact C-N 3.33Å; S1534-S1536 PolarHBondContact O-N 3.1Å; S1536-H1538 VanDerWaalsContact C-N 3.26Å; S1536-H1538 PolarHBondContact O-N 3.28Å; S1536-I1539 WeakPolarHBondContact O-CG1 3.29Å; S1536-I1539 PolarHBondContact O-N 3.4Å |
| 1537 | S | 86.2 | Confident | 87.4 | Confident | 36.6 Ų | 36.6 | 28.8 Ų | 28.8 | 26% | 0.256 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14.5 | 178.5 | 77.2 | 0 | 0 | 0 | 0 | 114.6 | S1534 L1535 | S1534-S1537 WeakPolarHBondContact O-CB 3.25Å; S1534-S1537 PolarHBondContact O-N 3.27Å; S1534-S1537 PolarHBondContact O-OG 2.98Å; L1535-S1537 PolarHBondContact O-N 3.01Å; L1535-S1537 VanDerWaalsContact O-N 3.15Å |
| 1538 | H | 86.4 | Confident | 87.3 | Confident | 46.6 Ų | 46.6 | 29.1 Ų | 29.1 | 22% | 0.216 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 1.8 | -178.5 | -65.7 | -65.3 | 0 | 0 | 0 | 114.1 | S1534 L1535 S1536 K1540 V1573 S1578 | S1534-H1538 PolarHBondContact O-CD2 3.09Å; L1535-H1538 PolarHBondContact O-N 3.21Å; L1535-H1538 VanDerWaalsContact O-N 3.12Å; S1536-H1538 VanDerWaalsContact C-N 3.26Å; S1536-H1538 PolarHBondContact O-N 3.28Å; H1538-K1540 PolarHBondContact O-N 3.34Å; H1538-V1573 HydrophobicContact CB-CG2 4.16Å; H1538-S1578 VanDerWaalsContact O-CB 3.27Å; H1538-S1578 WeakPolarHBondContact O-CB 3.38Å; H1538-S1578 PolarHBondContact O-OG 3.15Å |
| 1539 | I | 86.9 | Confident | 87.2 | Confident | 9.8 Ų | 9.8 | 31.6 Ų | 31.6 | 5% | 0.05 | 16% | 0.164 | C | C | . | . | trans | -73.9 | 125.8 | 177.8 | -62.4 | 172.3 | 0 | 0 | 0 | 109.3 | S1536 V1544 F1545 F1548 Q1572 V1573 D1576 | S1536-I1539 WeakPolarHBondContact O-CG1 3.29Å; S1536-I1539 PolarHBondContact O-N 3.4Å; I1539-V1544 HydrophobicContact CD1-CG1 4.49Å; I1539-V1544 HydrophobicContact CG2-CB 4.18Å; I1539-V1544 HydrophobicContact CG2-CG1 4.17Å; I1539-F1545 HydrophobicContact CB-CB 4.41Å; I1539-F1545 HydrophobicContact CB-CD2 4.32Å; I1539-F1545 HydrophobicContact CG2-CB 4.09Å; I1539-F1548 HydrophobicContact CD1-CB 4.24Å; I1539-F1548 HydrophobicContact CD1-CD1 4.16Å; I1539-F1548 HydrophobicContact CD1-CD2 3.42Å; I1539-F1548 VanDerWaalsContact CD1-CD2 3.44Å; I1539-F1548 HydrophobicContact CD1-CE1 4.41Å; I1539-F1548 HydrophobicContact CD1-CE2 3.76Å; I1539-F1548 HydrophobicContact CD1-CG 3.71Å; I1539-F1548 HydrophobicContact CD1-CZ 4.3Å; I1539-Q1572 HydrophobicContact CD1-CB 4.47Å; I1539-Q1572 HydrophobicContact CD1-CG 4.48Å; I1539-Q1572 HydrophobicContact CG1-CB 4.45Å; I1539-Q1572 HydrophobicContact CG1-CG 4.3Å; I1539-Q1572 HydrophobicContact CG2-CG 3.72Å; I1539-V1573 HydrophobicContact CG1-CG2 4.03Å; I1539-D1576 WeakPolarHBondContact CG2-OD2 3.32Å | ||
| 1540 | K | 84.1 | Confident | 87.1 | Confident | 125.4 Ų | 125.4 | 30.7 Ų | 30.7 | 55% | 0.545 | 16% | 0.162 | S | C | . | . | trans | -90.8 | -29.8 | 179.9 | -59.8 | -175.1 | -167.7 | 157.8 | 0 | 112.5 | H1538 P1542 D1576 D1577 | H1538-K1540 PolarHBondContact O-N 3.34Å; K1540-P1542 WeakPolarHBondContact O-CD 3.39Å; K1540-D1576 HydrophobicContact CB-CB 4.02Å; K1540-D1576 HydrophobicContact CD-CB 4.39Å; K1540-D1576 VanDerWaalsContact CD-O 3.3Å; K1540-D1576 WeakPolarHBondContact CD-O 3.39Å; K1540-D1576 VanDerWaalsContact CE-O 3.31Å; K1540-D1576 WeakPolarHBondContact CE-O 3.36Å; K1540-D1576 HydrophobicContact CG-CB 4.17Å; K1540-D1576 PolarHBondContact N-OD2 3.02Å; K1540-D1576 PolarHBondContact NZ-O 3.18Å; K1540-D1577 VanDerWaalsContact NZ-C 3.34Å; K1540-D1577 PolarHBondContact NZ-O 3.21Å | ||
| 1541 | S | 84.2 | Confident | 87.2 | Confident | 29.2 Ų | 29.2 | 28.4 Ų | 28.4 | 20% | 0.204 | 15% | 0.15 | C | C | . | . | trans | -62.8 | 117.8 | 179.5 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | V1543 V1544 F1545 D1576 | S1541-V1543 PolarHBondContact O-N 3.13Å; S1541-V1544 PolarHBondContact O-N 3.09Å; S1541-V1544 WeakPolarHBondContact OG-CG2 3.4Å; S1541-F1545 WeakPolarHBondContact O-CB 3.38Å; S1541-F1545 PolarHBondContact O-N 3.21Å; S1541-D1576 WeakPolarHBondContact CB-OD2 3.28Å; S1541-D1576 PolarHBondContact N-OD2 3.26Å | ||
| 1542 | P | 81.3 | Confident | 87.1 | Confident | 83.6 Ų | 83.6 | 28.8 Ų | 28.8 | 54% | 0.543 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67.3 | -38.3 | -169.9 | 25.1 | -34 | 0 | 0 | 0 | 112.7 | K1540 N1546 | K1540-P1542 WeakPolarHBondContact O-CD 3.39Å; P1542-N1546 WeakPolarHBondContact O-CB 3.4Å; P1542-N1546 PolarHBondContact O-N 3.27Å; P1542-N1546 PolarHBondContact O-ND2 3.04Å; P1542-N1546 PolarHBondContact O-OD1 3.18Å |
| 1543 | V | 83 | Confident | 86.9 | Confident | 20.2 Ų | 20.2 | 29.8 Ų | 29.8 | 12% | 0.122 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.2 | -46.2 | 178.3 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | L1446 L1471 F1474 S1541 N1546 I1547 | L1446-V1543 HydrophobicContact CD2-CG1 4.34Å; L1471-V1543 HydrophobicContact CD1-CG2 4.49Å; L1471-V1543 HydrophobicContact CD2-CB 4.4Å; L1471-V1543 HydrophobicContact CD2-CG1 3.86Å; L1471-V1543 HydrophobicContact CD2-CG2 3.55Å; L1471-V1543 VanDerWaalsContact CD2-CG2 3.5Å; L1471-V1543 HydrophobicContact CG-CG2 3.81Å; F1474-V1543 HydrophobicContact CD2-CG1 4.41Å; F1474-V1543 HydrophobicContact CE2-CG1 4.24Å; S1541-V1543 PolarHBondContact O-N 3.13Å; V1543-N1546 PolarHBondContact O-N 3.23Å; V1543-I1547 HydrophobicContact CG1-CD1 4.41Å; V1543-I1547 WeakPolarHBondContact O-CG1 3.39Å; V1543-I1547 PolarHBondContact O-N 3.06Å; V1543-I1547 VanDerWaalsContact O-N 3.13Å |
| 1544 | V | 85 | Confident | 86.9 | Confident | 4.6 Ų | 4.6 | 29.7 Ų | 29.7 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.5 | -44.5 | -178.6 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | V1407 F1474 I1539 S1541 N1546 I1547 F1548 Q1572 | V1407-V1544 HydrophobicContact CG1-CG1 3.8Å; V1407-V1544 HydrophobicContact CG1-CG2 4.33Å; V1407-V1544 HydrophobicContact CG2-CG1 3.8Å; F1474-V1544 HydrophobicContact CE2-CG2 4.47Å; F1474-V1544 HydrophobicContact CZ-CG2 4.41Å; I1539-V1544 HydrophobicContact CD1-CG1 4.49Å; I1539-V1544 HydrophobicContact CG2-CB 4.18Å; I1539-V1544 HydrophobicContact CG2-CG1 4.17Å; S1541-V1544 PolarHBondContact O-N 3.09Å; S1541-V1544 WeakPolarHBondContact OG-CG2 3.4Å; V1544-N1546 VanDerWaalsContact C-N 3.28Å; V1544-N1546 PolarHBondContact O-N 3.09Å; V1544-I1547 WeakPolarHBondContact O-CA 3.32Å; V1544-I1547 WeakPolarHBondContact O-CB 3.38Å; V1544-I1547 PolarHBondContact O-N 3.3Å; V1544-F1548 HydrophobicContact CG1-CD2 3.66Å; V1544-F1548 HydrophobicContact CG1-CE2 3.46Å; V1544-F1548 VanDerWaalsContact CG1-CE2 3.45Å; V1544-F1548 VanDerWaalsContact O-CD2 3.26Å; V1544-F1548 WeakPolarHBondContact O-CD2 3.4Å; V1544-F1548 PolarHBondContact O-N 3.38Å; V1544-Q1572 HydrophobicContact CB-CG 4.32Å; V1544-Q1572 HydrophobicContact CG1-CB 4.41Å; V1544-Q1572 HydrophobicContact CG1-CG 3.76Å |
| 1545 | F | 87.7 | Confident | 86.9 | Confident | 68.2 Ų | 68.2 | 29.9 Ų | 29.9 | 30% | 0.299 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -52.5 | -46.2 | 173.3 | 179.7 | -95.3 | 0 | 0 | 0 | 111.7 | I1539 S1541 I1547 F1548 Q1549 | I1539-F1545 HydrophobicContact CB-CB 4.41Å; I1539-F1545 HydrophobicContact CB-CD2 4.32Å; I1539-F1545 HydrophobicContact CG2-CB 4.09Å; S1541-F1545 WeakPolarHBondContact O-CB 3.38Å; S1541-F1545 PolarHBondContact O-N 3.21Å; F1545-I1547 VanDerWaalsContact C-N 3.33Å; F1545-I1547 PolarHBondContact O-N 3.22Å; F1545-F1548 PolarHBondContact O-N 3.12Å; F1545-Q1549 HydrophobicContact CE1-CB 4.4Å; F1545-Q1549 VanDerWaalsContact O-CB 3.3Å; F1545-Q1549 WeakPolarHBondContact O-CB 3.25Å; F1545-Q1549 PolarHBondContact O-N 3.25Å |
| 1546 | N | 86.6 | Confident | 86.8 | Confident | 54.6 Ų | 54.6 | 33.1 Ų | 33.1 | 29% | 0.292 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.3 | -70.4 | -15.9 | 0 | 0 | 0 | 112.3 | L1446 P1542 V1543 V1544 F1548 Q1549 F1550 | L1446-N1546 HydrophobicContact CD1-CB 3.84Å; L1446-N1546 VanDerWaalsContact CD1-CB 3.44Å; L1446-N1546 HydrophobicContact CD2-CB 4.24Å; P1542-N1546 WeakPolarHBondContact O-CB 3.4Å; P1542-N1546 PolarHBondContact O-N 3.27Å; P1542-N1546 PolarHBondContact O-ND2 3.04Å; P1542-N1546 PolarHBondContact O-OD1 3.18Å; V1543-N1546 PolarHBondContact O-N 3.23Å; V1544-N1546 VanDerWaalsContact C-N 3.28Å; V1544-N1546 PolarHBondContact O-N 3.09Å; N1546-F1548 VanDerWaalsContact C-N 3.33Å; N1546-F1548 PolarHBondContact O-N 3.06Å; N1546-Q1549 PolarHBondContact O-N 3.27Å; N1546-F1550 HydrophobicContact CB-CD2 4.42Å; N1546-F1550 HydrophobicContact CB-CE2 3.95Å; N1546-F1550 HydrophobicContact CB-CZ 4.35Å; N1546-F1550 WeakPolarHBondContact O-CB 3.47Å; N1546-F1550 WeakPolarHBondContact O-CD2 3.32Å; N1546-F1550 VanDerWaalsContact O-CG 3.27Å; N1546-F1550 WeakPolarHBondContact O-CG 3.31Å; N1546-F1550 PolarHBondContact O-N 3.24Å |
| 1547 | I | 88 | Confident | 86.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.9 | -49.1 | 175.2 | -66 | 166.6 | 0 | 0 | 0 | 110.3 | F1412 I1416 L1443 L1446 F1447 V1543 V1544 F1545 F1550 C1551 | F1412-I1547 HydrophobicContact CE1-CD1 4.38Å; F1412-I1547 HydrophobicContact CE1-CG2 4.38Å; I1416-I1547 HydrophobicContact CD1-CG2 3.68Å; L1443-I1547 HydrophobicContact CD2-CB 4.05Å; L1443-I1547 HydrophobicContact CD2-CG1 3.94Å; L1443-I1547 HydrophobicContact CD2-CG2 3.85Å; L1446-I1547 HydrophobicContact CD1-CG1 4.19Å; L1446-I1547 HydrophobicContact CD2-CG1 3.96Å; F1447-I1547 HydrophobicContact CE1-CD1 4.27Å; F1447-I1547 HydrophobicContact CE1-CG1 4.39Å; F1447-I1547 HydrophobicContact CZ-CD1 3.73Å; F1447-I1547 HydrophobicContact CZ-CG1 3.97Å; V1543-I1547 HydrophobicContact CG1-CD1 4.41Å; V1543-I1547 WeakPolarHBondContact O-CG1 3.39Å; V1543-I1547 PolarHBondContact O-N 3.06Å; V1543-I1547 VanDerWaalsContact O-N 3.13Å; V1544-I1547 WeakPolarHBondContact O-CA 3.32Å; V1544-I1547 WeakPolarHBondContact O-CB 3.38Å; V1544-I1547 PolarHBondContact O-N 3.3Å; F1545-I1547 VanDerWaalsContact C-N 3.33Å; F1545-I1547 PolarHBondContact O-N 3.22Å; I1547-F1550 PolarHBondContact O-N 3.05Å; I1547-C1551 WeakPolarHBondContact O-CB 3.28Å; I1547-C1551 PolarHBondContact O-N 3.15Å; I1547-C1551 VanDerWaalsContact O-N 3.11Å; I1547-C1551 PolarHBondContact O-SG 3.21Å; I1547-C1551 VanDerWaalsContact O-SG 3.35Å |
| 1548 | F | 89 | Confident | 86.6 | Confident | 5.2 Ų | 5.2 | 32.7 Ų | 32.7 | 2% | 0.023 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.2 | -39.1 | 179.9 | -79.1 | -89.3 | 0 | 0 | 0 | 112.7 | V1407 I1539 V1544 F1545 N1546 F1550 C1551 E1552 M1565 H1568 S1569 | V1407-F1548 HydrophobicContact CG2-CE2 4.34Å; I1539-F1548 HydrophobicContact CD1-CB 4.24Å; I1539-F1548 HydrophobicContact CD1-CD1 4.16Å; I1539-F1548 HydrophobicContact CD1-CD2 3.42Å; I1539-F1548 VanDerWaalsContact CD1-CD2 3.44Å; I1539-F1548 HydrophobicContact CD1-CE1 4.41Å; I1539-F1548 HydrophobicContact CD1-CE2 3.76Å; I1539-F1548 HydrophobicContact CD1-CG 3.71Å; I1539-F1548 HydrophobicContact CD1-CZ 4.3Å; V1544-F1548 HydrophobicContact CG1-CD2 3.66Å; V1544-F1548 HydrophobicContact CG1-CE2 3.46Å; V1544-F1548 VanDerWaalsContact CG1-CE2 3.45Å; V1544-F1548 VanDerWaalsContact O-CD2 3.26Å; V1544-F1548 WeakPolarHBondContact O-CD2 3.4Å; V1544-F1548 PolarHBondContact O-N 3.38Å; F1545-F1548 PolarHBondContact O-N 3.12Å; N1546-F1548 VanDerWaalsContact C-N 3.33Å; N1546-F1548 PolarHBondContact O-N 3.06Å; F1548-F1550 VanDerWaalsContact C-N 3.34Å; F1548-F1550 PolarHBondContact O-N 3.2Å; F1548-C1551 CarbonylContact O-C 3.54Å; F1548-C1551 WeakPolarHBondContact O-CB 3.48Å; F1548-C1551 PolarHBondContact O-N 3.36Å; F1548-C1551 VanDerWaalsContact O-N 3.16Å; F1548-E1552 PolarHBondContact O-N 3.06Å; F1548-M1565 HydrophobicContact CD1-CB 4.45Å; F1548-M1565 HydrophobicContact CD1-CE 3.24Å; F1548-M1565 HydrophobicContact CD1-SD 3.98Å; F1548-M1565 HydrophobicContact CD2-CE 4.29Å; F1548-M1565 HydrophobicContact CE1-CB 4.13Å; F1548-M1565 HydrophobicContact CE1-CE 3.18Å; F1548-M1565 HydrophobicContact CE1-CG 4.44Å; F1548-M1565 WeakPolarHBondContact CE1-O 3.21Å; F1548-M1565 HydrophobicContact CE1-SD 4.05Å; F1548-M1565 HydrophobicContact CE2-CE 4.25Å; F1548-M1565 HydrophobicContact CG-CE 3.87Å; F1548-M1565 HydrophobicContact CZ-CE 3.79Å; F1548-H1568 HydrophobicContact CE1-CB 4.36Å; F1548-H1568 HydrophobicContact CZ-CB 3.77Å; F1548-S1569 VanDerWaalsContact CE1-CB 3.47Å |
| 1549 | Q | 88.4 | Confident | 86.5 | Confident | 53.2 Ų | 53.2 | 30.9 Ų | 30.9 | 25% | 0.249 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.6 | -174.1 | -179.8 | 12.6 | 0 | 0 | 111.4 | F1505 F1545 N1546 C1551 E1552 | F1505-Q1549 HydrophobicContact CD1-CG 4.22Å; F1505-Q1549 HydrophobicContact CE1-CG 4.05Å; F1505-Q1549 VanDerWaalsContact CE1-O 3.32Å; F1505-Q1549 WeakPolarHBondContact CE1-O 3.37Å; F1505-Q1549 HydrophobicContact CE2-CG 4.43Å; F1505-Q1549 HydrophobicContact CG-CG 4.38Å; F1505-Q1549 HydrophobicContact CZ-CG 4.26Å; F1545-Q1549 HydrophobicContact CE1-CB 4.4Å; F1545-Q1549 VanDerWaalsContact O-CB 3.3Å; F1545-Q1549 WeakPolarHBondContact O-CB 3.25Å; F1545-Q1549 PolarHBondContact O-N 3.25Å; N1546-Q1549 PolarHBondContact O-N 3.27Å; Q1549-C1551 VanDerWaalsContact C-N 3.29Å; Q1549-C1551 PolarHBondContact O-N 3.05Å; Q1549-E1552 VanDerWaalsContact O-CB 3.25Å; Q1549-E1552 WeakPolarHBondContact O-CB 3.37Å; Q1549-E1552 PolarHBondContact O-N 3.34Å |
| 1550 | F | 88.1 | Confident | 86.5 | Confident | 36.8 Ų | 36.8 | 32.7 Ų | 32.7 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.1 | -28.6 | 176.1 | -61.7 | -39.9 | 0 | 0 | 0 | 113 | A1439 E1442 L1443 L1446 N1546 I1547 F1548 E1552 P1553 | A1439-F1550 WeakPolarHBondContact CB-O 3.43Å; E1442-F1550 HydrophobicContact CB-CB 3.94Å; E1442-F1550 HydrophobicContact CB-CD1 3.61Å; E1442-F1550 HydrophobicContact CB-CD2 3.78Å; E1442-F1550 HydrophobicContact CB-CE1 4.02Å; E1442-F1550 HydrophobicContact CB-CE2 4.16Å; E1442-F1550 HydrophobicContact CB-CG 3.5Å; E1442-F1550 VanDerWaalsContact CB-CG 3.46Å; E1442-F1550 HydrophobicContact CB-CZ 4.28Å; E1442-F1550 HydrophobicContact CG-CD1 3.94Å; E1442-F1550 HydrophobicContact CG-CE1 4.21Å; E1442-F1550 HydrophobicContact CG-CG 4.32Å; L1443-F1550 HydrophobicContact CD2-CD2 4.4Å; L1446-F1550 HydrophobicContact CB-CE2 4.24Å; L1446-F1550 HydrophobicContact CD1-CD2 3.94Å; L1446-F1550 HydrophobicContact CD1-CE2 3.84Å; L1446-F1550 HydrophobicContact CD2-CD2 4.39Å; L1446-F1550 HydrophobicContact CD2-CE2 4.02Å; L1446-F1550 HydrophobicContact CG-CD2 3.8Å; L1446-F1550 HydrophobicContact CG-CE2 4.11Å; L1446-F1550 VanDerWaalsContact CG-CE2 3.41Å; N1546-F1550 HydrophobicContact CB-CD2 4.42Å; N1546-F1550 HydrophobicContact CB-CE2 3.95Å; N1546-F1550 HydrophobicContact CB-CZ 4.35Å; N1546-F1550 WeakPolarHBondContact O-CB 3.47Å; N1546-F1550 WeakPolarHBondContact O-CD2 3.32Å; N1546-F1550 VanDerWaalsContact O-CG 3.27Å; N1546-F1550 WeakPolarHBondContact O-CG 3.31Å; N1546-F1550 PolarHBondContact O-N 3.24Å; I1547-F1550 PolarHBondContact O-N 3.05Å; F1548-F1550 VanDerWaalsContact C-N 3.34Å; F1548-F1550 PolarHBondContact O-N 3.2Å; F1550-E1552 VanDerWaalsContact C-N 3.33Å; F1550-P1553 VanDerWaalsContact O-CD 3.32Å; F1550-P1553 WeakPolarHBondContact O-CD 3.39Å |
| 1551 | C | 90.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -79.7 | -11.7 | 174.3 | -75.5 | 0 | 0 | 0 | 0 | 114 | I1547 F1548 Q1549 P1553 V1554 V1555 F1561 M1565 | I1547-C1551 WeakPolarHBondContact O-CB 3.28Å; I1547-C1551 PolarHBondContact O-N 3.15Å; I1547-C1551 VanDerWaalsContact O-N 3.11Å; I1547-C1551 PolarHBondContact O-SG 3.21Å; I1547-C1551 VanDerWaalsContact O-SG 3.35Å; F1548-C1551 CarbonylContact O-C 3.54Å; F1548-C1551 WeakPolarHBondContact O-CB 3.48Å; F1548-C1551 PolarHBondContact O-N 3.36Å; F1548-C1551 VanDerWaalsContact O-N 3.16Å; Q1549-C1551 VanDerWaalsContact C-N 3.29Å; Q1549-C1551 PolarHBondContact O-N 3.05Å; C1551-P1553 VanDerWaalsContact C-CD 3.47Å; C1551-V1554 WeakPolarHBondContact O-CB 3.33Å; C1551-V1554 PolarHBondContact O-N 3.13Å; C1551-V1555 WeakPolarHBondContact O-CG2 3.34Å; C1551-V1555 PolarHBondContact O-N 3.28Å; C1551-F1561 HydrophobicContact CB-CE1 3.96Å; C1551-F1561 HydrophobicContact CB-CZ 4.33Å; C1551-M1565 HydrophobicContact CB-CE 3.83Å |
| 1552 | E | 90 | Very high | 87 | Confident | 9.6 Ų | 9.6 | 25.6 Ų | 25.6 | 5% | 0.045 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -50.7 | -47.1 | -177.6 | 179 | -168.8 | 143.6 | 0 | 0 | 113.5 | F1505 I1506 W1508 F1548 Q1549 F1550 V1554 V1555 K1556 | F1505-E1552 HydrophobicContact CD1-CB 4.44Å; F1505-E1552 WeakPolarHBondContact CD1-OE2 3.31Å; I1506-E1552 PolarHBondContact N-OE1 3.2Å; W1508-E1552 HydrophobicContact CZ2-CG 3.65Å; W1508-E1552 PolarHBondContact NE1-OE1 3.04Å; W1508-E1552 PolarHBondContact NE1-OE2 3.16Å; W1508-E1552 VanDerWaalsContact NE1-OE2 3.07Å; F1548-E1552 PolarHBondContact O-N 3.06Å; Q1549-E1552 VanDerWaalsContact O-CB 3.25Å; Q1549-E1552 WeakPolarHBondContact O-CB 3.37Å; Q1549-E1552 PolarHBondContact O-N 3.34Å; F1550-E1552 VanDerWaalsContact C-N 3.33Å; E1552-V1554 VanDerWaalsContact C-N 3.27Å; E1552-V1554 PolarHBondContact O-N 3.06Å; E1552-V1555 WeakPolarHBondContact O-CB 3.46Å; E1552-V1555 PolarHBondContact O-N 3.26Å; E1552-K1556 WeakPolarHBondContact O-CG 3.38Å; E1552-K1556 PolarHBondContact O-N 3.21Å; E1552-K1556 VanDerWaalsContact O-N 3.09Å; E1552-K1556 WeakPolarHBondContact OE1-CE 3.37Å; E1552-K1556 IonicContact OE1-NZ 2.95Å; E1552-K1556 PolarHBondContact OE1-NZ 3.21Å |
| 1553 | P | 87.6 | Confident | 87.4 | Confident | 22.8 Ų | 22.8 | 23 Ų | 23 | 15% | 0.148 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.6 | -30.9 | -179.9 | -24.3 | 38.6 | 0 | 0 | 0 | 112.9 | S1435 L1438 V1502 F1550 C1551 K1556 A1557 | S1435-P1553 WeakPolarHBondContact CB-O 3.31Å; S1435-P1553 PolarHBondContact OG-O 3.18Å; L1438-P1553 HydrophobicContact CD2-CG 4.11Å; V1502-P1553 HydrophobicContact CG2-CG 4.07Å; F1550-P1553 VanDerWaalsContact O-CD 3.32Å; F1550-P1553 WeakPolarHBondContact O-CD 3.39Å; C1551-P1553 VanDerWaalsContact C-CD 3.47Å; P1553-K1556 PolarHBondContact O-N 3.46Å; P1553-A1557 WeakPolarHBondContact O-CB 3.27Å; P1553-A1557 PolarHBondContact O-N 3.08Å |
| 1554 | V | 88.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -74 | -42.9 | 177.2 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | L1420 I1423 S1435 A1436 A1439 C1551 E1552 K1556 A1557 D1558 F1561 | L1420-V1554 HydrophobicContact CD2-CB 4.32Å; L1420-V1554 HydrophobicContact CD2-CG1 3.96Å; L1420-V1554 HydrophobicContact CD2-CG2 3.93Å; I1423-V1554 HydrophobicContact CD1-CG1 3.99Å; I1423-V1554 HydrophobicContact CG2-CG1 4.3Å; S1435-V1554 VanDerWaalsContact C-CG2 3.49Å; S1435-V1554 VanDerWaalsContact O-CG2 3.26Å; S1435-V1554 WeakPolarHBondContact O-CG2 3.27Å; A1436-V1554 HydrophobicContact CB-CG2 4.42Å; A1439-V1554 HydrophobicContact CB-CG2 3.63Å; C1551-V1554 WeakPolarHBondContact O-CB 3.33Å; C1551-V1554 PolarHBondContact O-N 3.13Å; E1552-V1554 VanDerWaalsContact C-N 3.27Å; E1552-V1554 PolarHBondContact O-N 3.06Å; V1554-K1556 PolarHBondContact O-N 3.14Å; V1554-A1557 PolarHBondContact O-N 3.32Å; V1554-D1558 PolarHBondContact O-N 3.08Å; V1554-F1561 HydrophobicContact CB-CD1 3.86Å; V1554-F1561 HydrophobicContact CB-CE1 3.89Å; V1554-F1561 HydrophobicContact CG1-CB 4.36Å; V1554-F1561 HydrophobicContact CG1-CD1 3.44Å; V1554-F1561 VanDerWaalsContact CG1-CD1 3.45Å; V1554-F1561 HydrophobicContact CG1-CE1 3.81Å; V1554-F1561 HydrophobicContact CG1-CG 3.93Å |
| 1555 | V | 88.5 | Confident | 88 | Confident | 7 Ų | 7 | 23.5 Ų | 23.5 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.3 | -42.8 | 173.9 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | R1529 S1532 C1551 E1552 A1557 F1561 A1562 M1565 | R1529-V1555 VanDerWaalsContact CG-O 3.27Å; R1529-V1555 WeakPolarHBondContact CG-O 3.35Å; S1532-V1555 WeakPolarHBondContact OG-CG1 3.36Å; C1551-V1555 WeakPolarHBondContact O-CG2 3.34Å; C1551-V1555 PolarHBondContact O-N 3.28Å; E1552-V1555 WeakPolarHBondContact O-CB 3.46Å; E1552-V1555 PolarHBondContact O-N 3.26Å; V1555-A1557 VanDerWaalsContact C-N 3.32Å; V1555-A1557 PolarHBondContact O-N 3.07Å; V1555-F1561 HydrophobicContact CG2-CD1 4.01Å; V1555-F1561 HydrophobicContact CG2-CE1 4.16Å; V1555-A1562 HydrophobicContact CB-CB 4.47Å; V1555-A1562 HydrophobicContact CG1-CB 3.78Å; V1555-M1565 HydrophobicContact CG2-CB 4.14Å; V1555-M1565 HydrophobicContact CG2-CG 3.93Å |
| 1556 | K | 86.2 | Confident | 88.3 | Confident | 68.6 Ų | 68.6 | 20.3 Ų | 20.3 | 30% | 0.298 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -65.6 | -30.9 | 175.7 | -67.6 | 177.1 | -167.2 | 169.8 | 0 | 114.2 | I1506 W1508 R1529 E1552 P1553 V1554 | I1506-K1556 HydrophobicContact CD1-CD 4.16Å; I1506-K1556 VanDerWaalsContact CD1-CE 3.42Å; I1506-K1556 VanDerWaalsContact CD1-NZ 3.31Å; I1506-K1556 VanDerWaalsContact CG1-NZ 3.25Å; W1508-K1556 HydrophobicContact CH2-CG 4.29Å; W1508-K1556 HydrophobicContact CZ2-CD 4.43Å; W1508-K1556 VanDerWaalsContact CZ2-CE 3.45Å; W1508-K1556 HydrophobicContact CZ2-CG 4.37Å; R1529-K1556 VanDerWaalsContact CD-O 3.27Å; R1529-K1556 WeakPolarHBondContact CD-O 3.31Å; R1529-K1556 PolarHBondContact NE-O 3.21Å; R1529-K1556 VanDerWaalsContact NE-O 3.1Å; E1552-K1556 WeakPolarHBondContact O-CG 3.38Å; E1552-K1556 PolarHBondContact O-N 3.21Å; E1552-K1556 VanDerWaalsContact O-N 3.09Å; E1552-K1556 WeakPolarHBondContact OE1-CE 3.37Å; E1552-K1556 IonicContact OE1-NZ 2.95Å; E1552-K1556 PolarHBondContact OE1-NZ 3.21Å; P1553-K1556 PolarHBondContact O-N 3.46Å; V1554-K1556 PolarHBondContact O-N 3.14Å |
| 1557 | A | 83.7 | Confident | 88.5 | Confident | 30 Ų | 30 | 19.2 Ų | 19.2 | 25% | 0.248 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -86.4 | -33.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1432 R1529 P1553 V1554 V1555 | Q1432-A1557 HydrophobicContact CB-CB 4.21Å; Q1432-A1557 HydrophobicContact CG-CB 4.02Å; Q1432-A1557 PolarHBondContact NE2-O 3.29Å; R1529-A1557 PolarHBondContact NH2-O 3.2Å; P1553-A1557 WeakPolarHBondContact O-CB 3.27Å; P1553-A1557 PolarHBondContact O-N 3.08Å; V1554-A1557 PolarHBondContact O-N 3.32Å; V1555-A1557 VanDerWaalsContact C-N 3.32Å; V1555-A1557 PolarHBondContact O-N 3.07Å |
| 1558 | D | 84.8 | Confident | 88.7 | Confident | 10.8 Ų | 10.8 | 19.3 Ų | 19.3 | 6% | 0.058 | 10% | 0.101 | C | C | . | . | trans | -130.3 | 112.3 | -167.8 | -164.6 | -34.2 | 0 | 0 | 0 | 112.3 | R1426 Q1432 V1554 T1560 F1561 A1562 | R1426-D1558 IonicContact CZ-OD2 3.25Å; R1426-D1558 IonicContact NE-OD2 3.61Å; R1426-D1558 IonicContact NH2-OD1 2.83Å; R1426-D1558 PolarHBondContact NH2-OD1 2.92Å; R1426-D1558 IonicContact NH2-OD2 3Å; R1426-D1558 PolarHBondContact NH2-OD2 3.2Å; Q1432-D1558 PolarHBondContact NE2-OD2 3.25Å; V1554-D1558 PolarHBondContact O-N 3.08Å; D1558-T1560 VanDerWaalsContact C-N 3.33Å; D1558-T1560 PolarHBondContact O-N 3.23Å; D1558-T1560 WeakPolarHBondContact OD1-CB 3.42Å; D1558-T1560 PolarHBondContact OD1-N 3.24Å; D1558-T1560 PolarHBondContact OD1-OG1 3.1Å; D1558-F1561 HydrophobicContact CB-CB 4.03Å; D1558-F1561 PolarHBondContact O-N 3.03Å; D1558-F1561 PolarHBondContact OD1-N 2.88Å; D1558-F1561 VanDerWaalsContact OD1-N 3.17Å; D1558-A1562 WeakPolarHBondContact O-CB 3.41Å; D1558-A1562 PolarHBondContact O-N 3.18Å | ||
| 1559 | A | 85.5 | Confident | 88.8 | Confident | 8.8 Ų | 8.8 | 19.1 Ų | 19.1 | 7% | 0.073 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.5 | -29.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | T1364 E1525 I1528 A1562 R1563 | T1364-A1559 HydrophobicContact CG2-CB 4.39Å; E1525-A1559 HydrophobicContact CB-CB 4.13Å; E1525-A1559 HydrophobicContact CG-CB 3.86Å; I1528-A1559 HydrophobicContact CG2-CB 3.91Å; A1559-A1562 WeakPolarHBondContact O-CB 3.45Å; A1559-A1562 PolarHBondContact O-N 2.92Å; A1559-R1563 PolarHBondContact O-N 3.12Å; A1559-R1563 VanDerWaalsContact O-N 3.11Å |
| 1560 | T | 86.1 | Confident | 88.9 | Confident | 47.6 Ų | 47.6 | 16.6 Ų | 16.6 | 29% | 0.292 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -69.8 | -40.2 | 178.3 | 60.1 | 0 | 0 | 0 | 0 | 111 | R1362 R1426 D1558 R1563 L1564 | R1362-T1560 HydrophobicContact CG-CG2 4.41Å; R1426-T1560 PolarHBondContact NH2-OG1 3.15Å; D1558-T1560 VanDerWaalsContact C-N 3.33Å; D1558-T1560 PolarHBondContact O-N 3.23Å; D1558-T1560 WeakPolarHBondContact OD1-CB 3.42Å; D1558-T1560 PolarHBondContact OD1-N 3.24Å; D1558-T1560 PolarHBondContact OD1-OG1 3.1Å; T1560-R1563 PolarHBondContact O-N 3.2Å; T1560-L1564 PolarHBondContact O-N 3.13Å |
| 1561 | F | 89.5 | Confident | 89 | Confident | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.018 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -69.2 | -38.8 | 173.2 | -169.8 | -108.9 | 0 | 0 | 0 | 112 | I1416 E1419 L1420 I1423 C1551 V1554 V1555 D1558 R1563 L1564 M1565 | I1416-F1561 HydrophobicContact CG2-CZ 4.46Å; E1419-F1561 HydrophobicContact CB-CE2 4.4Å; L1420-F1561 HydrophobicContact CD2-CE1 4.11Å; L1420-F1561 HydrophobicContact CD2-CE2 3.92Å; L1420-F1561 HydrophobicContact CD2-CZ 3.61Å; L1420-F1561 HydrophobicContact CG-CE2 4.26Å; L1420-F1561 HydrophobicContact CG-CZ 4.15Å; I1423-F1561 HydrophobicContact CD1-CB 3.58Å; I1423-F1561 HydrophobicContact CD1-CD1 4.44Å; I1423-F1561 HydrophobicContact CD1-CD2 3.36Å; I1423-F1561 HydrophobicContact CD1-CE2 4.13Å; I1423-F1561 HydrophobicContact CD1-CG 3.54Å; C1551-F1561 HydrophobicContact CB-CE1 3.96Å; C1551-F1561 HydrophobicContact CB-CZ 4.33Å; V1554-F1561 HydrophobicContact CB-CD1 3.86Å; V1554-F1561 HydrophobicContact CB-CE1 3.89Å; V1554-F1561 HydrophobicContact CG1-CB 4.36Å; V1554-F1561 HydrophobicContact CG1-CD1 3.44Å; V1554-F1561 VanDerWaalsContact CG1-CD1 3.45Å; V1554-F1561 HydrophobicContact CG1-CE1 3.81Å; V1554-F1561 HydrophobicContact CG1-CG 3.93Å; V1555-F1561 HydrophobicContact CG2-CD1 4.01Å; V1555-F1561 HydrophobicContact CG2-CE1 4.16Å; D1558-F1561 HydrophobicContact CB-CB 4.03Å; D1558-F1561 PolarHBondContact O-N 3.03Å; D1558-F1561 PolarHBondContact OD1-N 2.88Å; D1558-F1561 VanDerWaalsContact OD1-N 3.17Å; F1561-R1563 VanDerWaalsContact C-N 3.26Å; F1561-R1563 PolarHBondContact O-N 3.17Å; F1561-L1564 HydrophobicContact CD2-CD2 4.35Å; F1561-L1564 HydrophobicContact CE2-CD2 4.37Å; F1561-L1564 PolarHBondContact O-N 3.05Å; F1561-L1564 VanDerWaalsContact O-N 3.15Å; F1561-M1565 HydrophobicContact CD1-CG 3.84Å; F1561-M1565 HydrophobicContact CD2-CG 4.49Å; F1561-M1565 HydrophobicContact CE1-CG 3.52Å; F1561-M1565 VanDerWaalsContact CE1-CG 3.42Å; F1561-M1565 HydrophobicContact CE1-SD 4.01Å; F1561-M1565 HydrophobicContact CE2-CE 4Å; F1561-M1565 HydrophobicContact CE2-CG 4.33Å; F1561-M1565 HydrophobicContact CE2-SD 4.25Å; F1561-M1565 HydrophobicContact CG-CG 4.38Å; F1561-M1565 HydrophobicContact CZ-CE 3.93Å; F1561-M1565 HydrophobicContact CZ-CG 3.79Å; F1561-M1565 HydrophobicContact CZ-SD 3.7Å; F1561-M1565 WeakPolarHBondContact CZ-SD 3.26Å; F1561-M1565 WeakPolarHBondContact O-CB 3.38Å; F1561-M1565 WeakPolarHBondContact O-CG 3.44Å; F1561-M1565 PolarHBondContact O-N 3.21Å |
| 1562 | A | 90.2 | Very high | 89 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -56.4 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1528 R1529 S1532 V1555 D1558 A1559 M1565 L1566 | I1528-A1562 HydrophobicContact CG1-CB 4.4Å; I1528-A1562 HydrophobicContact CG2-CB 4.23Å; R1529-A1562 HydrophobicContact CG-CB 4.3Å; S1532-A1562 VanDerWaalsContact CB-O 3.27Å; S1532-A1562 WeakPolarHBondContact CB-O 3.37Å; S1532-A1562 PolarHBondContact OG-O 3.27Å; V1555-A1562 HydrophobicContact CB-CB 4.47Å; V1555-A1562 HydrophobicContact CG1-CB 3.78Å; D1558-A1562 WeakPolarHBondContact O-CB 3.41Å; D1558-A1562 PolarHBondContact O-N 3.18Å; A1559-A1562 WeakPolarHBondContact O-CB 3.45Å; A1559-A1562 PolarHBondContact O-N 2.92Å; A1562-M1565 PolarHBondContact O-N 3Å; A1562-L1566 VanDerWaalsContact O-CB 3.26Å; A1562-L1566 WeakPolarHBondContact O-CB 3.34Å; A1562-L1566 PolarHBondContact O-N 3.09Å |
| 1563 | R | 89.6 | Confident | 88.9 | Confident | 31 Ų | 31 | 14.9 Ų | 14.9 | 12% | 0.117 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 174.6 | -174.9 | -178.5 | -102.8 | 147.3 | -1.3 | 112.7 | R1362 Y1524 I1528 A1559 T1560 F1561 M1565 L1566 E1567 T1639 S1642 L2016 | R1362-R1563 PolarHBondContact O-NH1 3.48Å; R1362-R1563 PolarHBondContact O-NH2 3.15Å; Y1524-R1563 VanDerWaalsContact OH-CZ 3.27Å; Y1524-R1563 PolarHBondContact OH-NE 3.17Å; Y1524-R1563 VanDerWaalsContact OH-NE 3.12Å; Y1524-R1563 PolarHBondContact OH-NH1 3.37Å; Y1524-R1563 PolarHBondContact OH-NH2 3.36Å; I1528-R1563 HydrophobicContact CD1-CB 4Å; I1528-R1563 HydrophobicContact CD1-CG 4.03Å; I1528-R1563 HydrophobicContact CG1-CB 4.26Å; I1528-R1563 HydrophobicContact CG2-CB 4.46Å; A1559-R1563 PolarHBondContact O-N 3.12Å; A1559-R1563 VanDerWaalsContact O-N 3.11Å; T1560-R1563 PolarHBondContact O-N 3.2Å; F1561-R1563 VanDerWaalsContact C-N 3.26Å; F1561-R1563 PolarHBondContact O-N 3.17Å; R1563-M1565 VanDerWaalsContact C-N 3.3Å; R1563-M1565 PolarHBondContact O-N 3.1Å; R1563-L1566 VanDerWaalsContact O-CB 3.3Å; R1563-L1566 WeakPolarHBondContact O-CB 3.29Å; R1563-L1566 PolarHBondContact O-N 3.01Å; R1563-L1566 VanDerWaalsContact O-N 3.14Å; R1563-E1567 IonicContact NE-OE1 2.7Å; R1563-E1567 PolarHBondContact O-N 3.14Å; R1563-E1567 VanDerWaalsContact O-N 3.15Å; R1563-T1639 HydrophobicContact CG-CG2 4.17Å; R1563-T1639 PolarHBondContact NH1-OG1 3.39Å; R1563-S1642 PolarHBondContact NE-OG 3.36Å; R1563-S1642 VanDerWaalsContact NH2-CB 3.27Å; R1563-S1642 PolarHBondContact NH2-OG 2.97Å; R1563-L2016 VanDerWaalsContact NH1-CD2 3.31Å |
| 1564 | L | 89.3 | Confident | 88.9 | Confident | 33.8 Ų | 33.8 | 13.8 Ų | 13.8 | 18% | 0.177 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.7 | 179.5 | 82.3 | 0 | 0 | 0 | 110.9 | E1419 T1560 F1561 L1566 E1567 H1568 | E1419-L1564 HydrophobicContact CB-CD2 4.23Å; E1419-L1564 HydrophobicContact CG-CD1 4.07Å; E1419-L1564 HydrophobicContact CG-CD2 3.83Å; T1560-L1564 PolarHBondContact O-N 3.13Å; F1561-L1564 HydrophobicContact CD2-CD2 4.35Å; F1561-L1564 HydrophobicContact CE2-CD2 4.37Å; F1561-L1564 PolarHBondContact O-N 3.05Å; F1561-L1564 VanDerWaalsContact O-N 3.15Å; L1564-L1566 VanDerWaalsContact C-N 3.29Å; L1564-L1566 PolarHBondContact O-N 3.31Å; L1564-E1567 PolarHBondContact O-N 3.03Å; L1564-H1568 WeakPolarHBondContact CD1-NE2 3.39Å; L1564-H1568 PolarHBondContact O-CD2 3.08Å; L1564-H1568 PolarHBondContact O-N 3.13Å |
| 1565 | M | 91.3 | Very high | 88.8 | Confident | 0.6 Ų | 0.6 | 14.8 Ų | 14.8 | 0% | 0.003 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.8 | -30.7 | 177.2 | -66.5 | -54.8 | -66.4 | 0 | 0 | 112.2 | I1416 F1548 C1551 V1555 F1561 A1562 R1563 E1567 H1568 S1569 | I1416-M1565 HydrophobicContact CD1-CE 3.24Å; I1416-M1565 HydrophobicContact CD1-SD 4.32Å; F1548-M1565 HydrophobicContact CD1-CB 4.45Å; F1548-M1565 HydrophobicContact CD1-CE 3.24Å; F1548-M1565 HydrophobicContact CD1-SD 3.98Å; F1548-M1565 HydrophobicContact CD2-CE 4.29Å; F1548-M1565 HydrophobicContact CE1-CB 4.13Å; F1548-M1565 HydrophobicContact CE1-CE 3.18Å; F1548-M1565 HydrophobicContact CE1-CG 4.44Å; F1548-M1565 WeakPolarHBondContact CE1-O 3.21Å; F1548-M1565 HydrophobicContact CE1-SD 4.05Å; F1548-M1565 HydrophobicContact CE2-CE 4.25Å; F1548-M1565 HydrophobicContact CG-CE 3.87Å; F1548-M1565 HydrophobicContact CZ-CE 3.79Å; C1551-M1565 HydrophobicContact CB-CE 3.83Å; V1555-M1565 HydrophobicContact CG2-CB 4.14Å; V1555-M1565 HydrophobicContact CG2-CG 3.93Å; F1561-M1565 HydrophobicContact CD1-CG 3.84Å; F1561-M1565 HydrophobicContact CD2-CG 4.49Å; F1561-M1565 HydrophobicContact CE1-CG 3.52Å; F1561-M1565 VanDerWaalsContact CE1-CG 3.42Å; F1561-M1565 HydrophobicContact CE1-SD 4.01Å; F1561-M1565 HydrophobicContact CE2-CE 4Å; F1561-M1565 HydrophobicContact CE2-CG 4.33Å; F1561-M1565 HydrophobicContact CE2-SD 4.25Å; F1561-M1565 HydrophobicContact CG-CG 4.38Å; F1561-M1565 HydrophobicContact CZ-CE 3.93Å; F1561-M1565 HydrophobicContact CZ-CG 3.79Å; F1561-M1565 HydrophobicContact CZ-SD 3.7Å; F1561-M1565 WeakPolarHBondContact CZ-SD 3.26Å; F1561-M1565 WeakPolarHBondContact O-CB 3.38Å; F1561-M1565 WeakPolarHBondContact O-CG 3.44Å; F1561-M1565 PolarHBondContact O-N 3.21Å; A1562-M1565 PolarHBondContact O-N 3Å; R1563-M1565 VanDerWaalsContact C-N 3.3Å; R1563-M1565 PolarHBondContact O-N 3.1Å; M1565-E1567 PolarHBondContact O-N 3.07Å; M1565-H1568 PolarHBondContact O-N 3.07Å; M1565-S1569 VanDerWaalsContact O-CB 3.27Å; M1565-S1569 WeakPolarHBondContact O-CB 3.37Å; M1565-S1569 PolarHBondContact O-N 3.22Å; M1565-S1569 PolarHBondContact O-OG 3.26Å |
| 1566 | L | 93 | Very high | 88.6 | Confident | 1.2 Ų | 1.2 | 16 Ų | 16 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 175.1 | 179 | 71.2 | 0 | 0 | 0 | 111.5 | I1528 W1531 S1532 L1535 A1562 R1563 L1564 H1568 S1569 A1570 T1639 | I1528-L1566 HydrophobicContact CD1-CB 4.46Å; I1528-L1566 HydrophobicContact CD1-CD2 3.65Å; W1531-L1566 HydrophobicContact CD2-CD1 3.81Å; W1531-L1566 HydrophobicContact CD2-CD2 4.19Å; W1531-L1566 HydrophobicContact CE3-CD1 3.99Å; W1531-L1566 HydrophobicContact CE3-CD2 3.48Å; W1531-L1566 VanDerWaalsContact CE3-CD2 3.48Å; W1531-L1566 HydrophobicContact CE3-CG 4.39Å; W1531-L1566 HydrophobicContact CG-CD1 4.2Å; W1531-L1566 HydrophobicContact CH2-CD2 4.08Å; W1531-L1566 HydrophobicContact CZ2-CD1 4.46Å; W1531-L1566 HydrophobicContact CZ3-CD1 4.37Å; W1531-L1566 HydrophobicContact CZ3-CD2 3.42Å; W1531-L1566 VanDerWaalsContact CZ3-CD2 3.43Å; W1531-L1566 HydrophobicContact CZ3-CG 4.43Å; S1532-L1566 PolarHBondContact OG-N 3.32Å; L1535-L1566 HydrophobicContact CD1-CD1 3.3Å; L1535-L1566 HydrophobicContact CD2-CD1 3.75Å; A1562-L1566 VanDerWaalsContact O-CB 3.26Å; A1562-L1566 WeakPolarHBondContact O-CB 3.34Å; A1562-L1566 PolarHBondContact O-N 3.09Å; R1563-L1566 VanDerWaalsContact O-CB 3.3Å; R1563-L1566 WeakPolarHBondContact O-CB 3.29Å; R1563-L1566 PolarHBondContact O-N 3.01Å; R1563-L1566 VanDerWaalsContact O-N 3.14Å; L1564-L1566 VanDerWaalsContact C-N 3.29Å; L1564-L1566 PolarHBondContact O-N 3.31Å; L1566-H1568 VanDerWaalsContact C-N 3.3Å; L1566-H1568 PolarHBondContact O-N 3.28Å; L1566-S1569 WeakPolarHBondContact CA-OG 3.36Å; L1566-S1569 PolarHBondContact O-N 3.22Å; L1566-S1569 PolarHBondContact O-OG 3.03Å; L1566-S1569 VanDerWaalsContact O-OG 3.09Å; L1566-A1570 VanDerWaalsContact O-CB 3.24Å; L1566-A1570 WeakPolarHBondContact O-CB 3.31Å; L1566-A1570 PolarHBondContact O-N 3.31Å; L1566-T1639 HydrophobicContact CD2-CG2 4.01Å |
| 1567 | E | 92 | Very high | 88.4 | Confident | 31.6 Ų | 31.6 | 16.1 Ų | 16.1 | 15% | 0.148 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 179.1 | -68.3 | 173.1 | 179.9 | 0 | 0 | 111.3 | R1563 L1564 M1565 L1571 S1642 L1643 Y1646 | R1563-E1567 IonicContact NE-OE1 2.7Å; R1563-E1567 PolarHBondContact O-N 3.14Å; R1563-E1567 VanDerWaalsContact O-N 3.15Å; L1564-E1567 PolarHBondContact O-N 3.03Å; M1565-E1567 PolarHBondContact O-N 3.07Å; E1567-L1571 PolarHBondContact O-N 3.06Å; E1567-S1642 PolarHBondContact OE1-OG 3.16Å; E1567-L1643 HydrophobicContact CG-CD1 4.36Å; E1567-Y1646 HydrophobicContact CB-CD1 3.96Å; E1567-Y1646 HydrophobicContact CB-CD2 4.43Å; E1567-Y1646 HydrophobicContact CB-CE1 4.11Å; E1567-Y1646 HydrophobicContact CB-CG 4.12Å; E1567-Y1646 HydrophobicContact CG-CG 4.4Å; E1567-Y1646 VanDerWaalsContact O-CE1 3.22Å; E1567-Y1646 WeakPolarHBondContact O-CE1 3.25Å |
| 1568 | H | 91.8 | Very high | 88.4 | Confident | 3.4 Ų | 3.4 | 15.2 Ų | 15.2 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -71 | -44.1 | 178.3 | -66.2 | -41.7 | 0 | 0 | 0 | 113.5 | I1405 V1407 F1412 F1548 L1564 M1565 L1566 A1570 L1571 Q1572 Y1646 | I1405-H1568 PolarHBondContact O-CE1 3.2Å; I1405-H1568 VanDerWaalsContact O-CE1 3.25Å; V1407-H1568 HydrophobicContact CB-CB 4.23Å; V1407-H1568 VanDerWaalsContact CG2-CA 3.46Å; V1407-H1568 HydrophobicContact CG2-CB 3.33Å; V1407-H1568 VanDerWaalsContact CG2-CB 3.4Å; V1407-H1568 VanDerWaalsContact CG2-O 3.3Å; V1407-H1568 WeakPolarHBondContact CG2-O 3.33Å; F1412-H1568 HydrophobicContact CE2-CB 4.23Å; F1412-H1568 AromaticContact CE2-CD2 3.62Å; F1412-H1568 AromaticContact CE2-CE1 3.9Å; F1412-H1568 AromaticContact CE2-CG 3.63Å; F1412-H1568 AromaticContact CE2-ND1 3.8Å; F1412-H1568 AromaticContact CE2-NE2 3.77Å; F1412-H1568 HydrophobicContact CZ-CB 4.18Å; F1412-H1568 AromaticContact CZ-CG 3.89Å; F1548-H1568 HydrophobicContact CE1-CB 4.36Å; F1548-H1568 HydrophobicContact CZ-CB 3.77Å; L1564-H1568 WeakPolarHBondContact CD1-NE2 3.39Å; L1564-H1568 PolarHBondContact O-CD2 3.08Å; L1564-H1568 PolarHBondContact O-N 3.13Å; M1565-H1568 PolarHBondContact O-N 3.07Å; L1566-H1568 VanDerWaalsContact C-N 3.3Å; L1566-H1568 PolarHBondContact O-N 3.28Å; H1568-A1570 PolarHBondContact O-N 3.41Å; H1568-L1571 PolarHBondContact O-N 3.14Å; H1568-Q1572 PolarHBondContact O-N 3.15Å; H1568-Y1646 PolarHBondContact CE1-OH 3.06Å; H1568-Y1646 AromaticContact ND1-CZ 3.73Å; H1568-Y1646 PolarHBondContact ND1-OH 2.97Å |
| 1569 | S | 90.2 | Very high | 88.4 | Confident | 0.2 Ų | 0.2 | 21.8 Ų | 21.8 | 0% | 0.001 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.8 | -40.8 | 179.6 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | F1548 M1565 L1566 L1571 Q1572 V1573 | F1548-S1569 VanDerWaalsContact CE1-CB 3.47Å; M1565-S1569 VanDerWaalsContact O-CB 3.27Å; M1565-S1569 WeakPolarHBondContact O-CB 3.37Å; M1565-S1569 PolarHBondContact O-N 3.22Å; M1565-S1569 PolarHBondContact O-OG 3.26Å; L1566-S1569 WeakPolarHBondContact CA-OG 3.36Å; L1566-S1569 PolarHBondContact O-N 3.22Å; L1566-S1569 PolarHBondContact O-OG 3.03Å; L1566-S1569 VanDerWaalsContact O-OG 3.09Å; S1569-L1571 PolarHBondContact O-N 3.09Å; S1569-Q1572 PolarHBondContact O-N 2.97Å; S1569-V1573 WeakPolarHBondContact O-CB 3.3Å; S1569-V1573 VanDerWaalsContact O-CG2 3.27Å; S1569-V1573 WeakPolarHBondContact O-CG2 3.42Å; S1569-V1573 PolarHBondContact O-N 3.05Å |
| 1570 | A | 91.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1535 L1566 H1568 Q1572 V1573 L1574 L1585 L1643 | L1535-A1570 HydrophobicContact CD2-CB 3.78Å; L1566-A1570 VanDerWaalsContact O-CB 3.24Å; L1566-A1570 WeakPolarHBondContact O-CB 3.31Å; L1566-A1570 PolarHBondContact O-N 3.31Å; H1568-A1570 PolarHBondContact O-N 3.41Å; A1570-Q1572 VanDerWaalsContact C-N 3.35Å; A1570-Q1572 PolarHBondContact O-N 3.15Å; A1570-V1573 PolarHBondContact O-N 3.13Å; A1570-L1574 VanDerWaalsContact O-CG 3.31Å; A1570-L1574 WeakPolarHBondContact O-CG 3.38Å; A1570-L1574 PolarHBondContact O-N 3.03Å; A1570-L1574 VanDerWaalsContact O-N 3.15Å; A1570-L1585 HydrophobicContact CB-CD1 4.16Å; A1570-L1585 HydrophobicContact CB-CD2 4.06Å; A1570-L1643 HydrophobicContact CB-CD1 3.48Å; A1570-L1643 VanDerWaalsContact CB-CD1 3.45Å; A1570-L1643 HydrophobicContact CB-CD2 4.25Å; A1570-L1643 HydrophobicContact CB-CG 4.46Å |
| 1571 | L | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.1 | 178.5 | 62.7 | 0 | 0 | 0 | 111.4 | F1406 V1407 E1567 H1568 S1569 V1573 L1574 L1575 Y1646 L1647 W1650 V1693 | F1406-L1571 HydrophobicContact CB-CD2 4.09Å; F1406-L1571 HydrophobicContact CD1-CD2 3.96Å; F1406-L1571 HydrophobicContact CG-CD2 4.43Å; V1407-L1571 HydrophobicContact CG1-CB 4.43Å; V1407-L1571 HydrophobicContact CG1-CD2 4Å; V1407-L1571 HydrophobicContact CG1-CG 4.13Å; E1567-L1571 PolarHBondContact O-N 3.06Å; H1568-L1571 PolarHBondContact O-N 3.14Å; S1569-L1571 PolarHBondContact O-N 3.09Å; L1571-V1573 PolarHBondContact O-N 3.24Å; L1571-L1574 PolarHBondContact O-N 3.16Å; L1571-L1575 HydrophobicContact CD1-CD1 4.27Å; L1571-L1575 HydrophobicContact CD1-CG 4.41Å; L1571-L1575 HydrophobicContact CG-CD1 4.03Å; L1571-L1575 WeakPolarHBondContact O-CD1 3.26Å; L1571-L1575 VanDerWaalsContact O-CG 3.27Å; L1571-L1575 WeakPolarHBondContact O-CG 3.32Å; L1571-L1575 PolarHBondContact O-N 3.2Å; L1571-L1575 VanDerWaalsContact O-N 3.1Å; L1571-Y1646 HydrophobicContact CB-CE1 4.06Å; L1571-Y1646 HydrophobicContact CD2-CE1 4.02Å; L1571-L1647 HydrophobicContact CB-CD2 3.99Å; L1571-L1647 HydrophobicContact CD1-CD2 3.91Å; L1571-L1647 HydrophobicContact CG-CD2 4.49Å; L1571-W1650 HydrophobicContact CD1-CD2 3.74Å; L1571-W1650 HydrophobicContact CD1-CE3 4.02Å; L1571-W1650 HydrophobicContact CD1-CG 4.07Å; L1571-W1650 HydrophobicContact CD1-CZ2 4.34Å; L1571-W1650 HydrophobicContact CD1-CZ3 4.45Å; L1571-W1650 HydrophobicContact CD2-CD2 4.46Å; L1571-W1650 HydrophobicContact CD2-CG 4.12Å; L1571-V1693 HydrophobicContact CD1-CG2 4.28Å |
| 1572 | Q | 88.8 | Confident | 88.4 | Confident | 10.8 Ų | 10.8 | 26.3 Ų | 26.3 | 5% | 0.05 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 179.2 | -171.1 | 66.2 | 24.1 | 0 | 0 | 112.5 | V1407 N1408 I1539 V1544 H1568 S1569 A1570 L1574 L1575 D1576 | V1407-Q1572 HydrophobicContact CG1-CB 4.4Å; V1407-Q1572 HydrophobicContact CG2-CB 4.38Å; N1408-Q1572 PolarHBondContact OD1-OE1 2.86Å; I1539-Q1572 HydrophobicContact CD1-CB 4.47Å; I1539-Q1572 HydrophobicContact CD1-CG 4.48Å; I1539-Q1572 HydrophobicContact CG1-CB 4.45Å; I1539-Q1572 HydrophobicContact CG1-CG 4.3Å; I1539-Q1572 HydrophobicContact CG2-CG 3.72Å; V1544-Q1572 HydrophobicContact CB-CG 4.32Å; V1544-Q1572 HydrophobicContact CG1-CB 4.41Å; V1544-Q1572 HydrophobicContact CG1-CG 3.76Å; H1568-Q1572 PolarHBondContact O-N 3.15Å; S1569-Q1572 PolarHBondContact O-N 2.97Å; A1570-Q1572 VanDerWaalsContact C-N 3.35Å; A1570-Q1572 PolarHBondContact O-N 3.15Å; Q1572-L1574 VanDerWaalsContact C-N 3.26Å; Q1572-L1574 PolarHBondContact O-N 3.21Å; Q1572-L1575 CarbonylContact O-C 3.38Å; Q1572-L1575 PolarHBondContact O-N 3.22Å; Q1572-L1575 VanDerWaalsContact O-N 3.11Å; Q1572-D1576 PolarHBondContact NE2-OD1 3.3Å; Q1572-D1576 PolarHBondContact NE2-OD2 2.99Å; Q1572-D1576 WeakPolarHBondContact O-CB 3.33Å; Q1572-D1576 PolarHBondContact O-N 3.22Å |
| 1573 | V | 88.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.3 | -39 | 176.6 | 162.1 | 0 | 0 | 0 | 0 | 111.4 | L1535 H1538 I1539 S1569 A1570 L1571 D1577 S1578 G1581 I1582 | L1535-V1573 HydrophobicContact CD1-CB 4.43Å; L1535-V1573 HydrophobicContact CD1-CG1 4.25Å; L1535-V1573 HydrophobicContact CD1-CG2 4.02Å; L1535-V1573 HydrophobicContact CG-CG2 4.14Å; H1538-V1573 HydrophobicContact CB-CG2 4.16Å; I1539-V1573 HydrophobicContact CG1-CG2 4.03Å; S1569-V1573 WeakPolarHBondContact O-CB 3.3Å; S1569-V1573 VanDerWaalsContact O-CG2 3.27Å; S1569-V1573 WeakPolarHBondContact O-CG2 3.42Å; S1569-V1573 PolarHBondContact O-N 3.05Å; A1570-V1573 PolarHBondContact O-N 3.13Å; L1571-V1573 PolarHBondContact O-N 3.24Å; V1573-D1577 PolarHBondContact O-N 3.17Å; V1573-S1578 WeakPolarHBondContact CG1-OG 3.27Å; V1573-S1578 PolarHBondContact O-N 3.21Å; V1573-S1578 PolarHBondContact O-OG 3.25Å; V1573-G1581 VanDerWaalsContact CG1-C 3.48Å; V1573-I1582 HydrophobicContact CG1-CG1 4.19Å |
| 1574 | L | 88.2 | Confident | 88.3 | Confident | 1.2 Ų | 1.2 | 28.5 Ų | 28.5 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.4 | -34.7 | 175.3 | -68.6 | 167.9 | 0 | 0 | 0 | 112.6 | A1570 L1571 Q1572 I1582 L1585 L1647 R1692 V1693 F1696 | A1570-L1574 VanDerWaalsContact O-CG 3.31Å; A1570-L1574 WeakPolarHBondContact O-CG 3.38Å; A1570-L1574 PolarHBondContact O-N 3.03Å; A1570-L1574 VanDerWaalsContact O-N 3.15Å; L1571-L1574 PolarHBondContact O-N 3.16Å; Q1572-L1574 VanDerWaalsContact C-N 3.26Å; Q1572-L1574 PolarHBondContact O-N 3.21Å; L1574-I1582 HydrophobicContact CD2-CD1 4.38Å; L1574-I1582 HydrophobicContact CD2-CG1 4.08Å; L1574-I1582 HydrophobicContact CD2-CG2 4.36Å; L1574-L1585 HydrophobicContact CD1-CD2 4.47Å; L1574-L1585 HydrophobicContact CG-CD2 4.44Å; L1574-L1647 HydrophobicContact CD1-CD1 3.84Å; L1574-L1647 HydrophobicContact CD1-CD2 3.93Å; L1574-R1692 PolarHBondContact O-NH1 3.28Å; L1574-V1693 HydrophobicContact CB-CG2 3.96Å; L1574-V1693 HydrophobicContact CD1-CG2 4.2Å; L1574-F1696 HydrophobicContact CD1-CD1 3.94Å; L1574-F1696 HydrophobicContact CD1-CE1 4.37Å; L1574-F1696 HydrophobicContact CD1-CG 4.26Å; L1574-F1696 HydrophobicContact CD2-CB 3.69Å; L1574-F1696 HydrophobicContact CD2-CD1 4.03Å; L1574-F1696 HydrophobicContact CD2-CD2 3.67Å; L1574-F1696 HydrophobicContact CD2-CE2 4.3Å; L1574-F1696 HydrophobicContact CD2-CG 3.51Å; L1574-F1696 VanDerWaalsContact CD2-CG 3.49Å |
| 1575 | L | 86 | Confident | 88.4 | Confident | 21.2 Ų | 21.2 | 26.9 Ų | 26.9 | 11% | 0.111 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -75.6 | -34.3 | 177.8 | -67.1 | 168.3 | 0 | 0 | 0 | 113 | N1408 L1571 Q1572 D1577 W1650 A1685 R1692 | N1408-L1575 WeakPolarHBondContact ND2-CD1 3.38Å; N1408-L1575 WeakPolarHBondContact OD1-CD1 3.42Å; L1571-L1575 HydrophobicContact CD1-CD1 4.27Å; L1571-L1575 HydrophobicContact CD1-CG 4.41Å; L1571-L1575 HydrophobicContact CG-CD1 4.03Å; L1571-L1575 WeakPolarHBondContact O-CD1 3.26Å; L1571-L1575 VanDerWaalsContact O-CG 3.27Å; L1571-L1575 WeakPolarHBondContact O-CG 3.32Å; L1571-L1575 PolarHBondContact O-N 3.2Å; L1571-L1575 VanDerWaalsContact O-N 3.1Å; Q1572-L1575 CarbonylContact O-C 3.38Å; Q1572-L1575 PolarHBondContact O-N 3.22Å; Q1572-L1575 VanDerWaalsContact O-N 3.11Å; L1575-D1577 VanDerWaalsContact C-N 3.3Å; L1575-D1577 PolarHBondContact O-N 3.1Å; L1575-W1650 HydrophobicContact CD2-CH2 3.84Å; L1575-W1650 HydrophobicContact CD2-CZ2 3.97Å; L1575-A1685 HydrophobicContact CD2-CB 4.45Å; L1575-R1692 VanDerWaalsContact O-CZ 3.28Å; L1575-R1692 PolarHBondContact O-NH1 2.97Å; L1575-R1692 PolarHBondContact O-NH2 2.95Å |
| 1576 | D | 83.9 | Confident | 88.5 | Confident | 30.6 Ų | 30.6 | 30.2 Ų | 30.2 | 16% | 0.164 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -7.3 | -178.5 | -75.5 | -5.2 | 0 | 0 | 0 | 113.8 | I1539 K1540 S1541 Q1572 S1578 | I1539-D1576 WeakPolarHBondContact CG2-OD2 3.32Å; K1540-D1576 HydrophobicContact CB-CB 4.02Å; K1540-D1576 HydrophobicContact CD-CB 4.39Å; K1540-D1576 VanDerWaalsContact CD-O 3.3Å; K1540-D1576 WeakPolarHBondContact CD-O 3.39Å; K1540-D1576 VanDerWaalsContact CE-O 3.31Å; K1540-D1576 WeakPolarHBondContact CE-O 3.36Å; K1540-D1576 HydrophobicContact CG-CB 4.17Å; K1540-D1576 PolarHBondContact N-OD2 3.02Å; K1540-D1576 PolarHBondContact NZ-O 3.18Å; S1541-D1576 WeakPolarHBondContact CB-OD2 3.28Å; S1541-D1576 PolarHBondContact N-OD2 3.26Å; Q1572-D1576 PolarHBondContact NE2-OD1 3.3Å; Q1572-D1576 PolarHBondContact NE2-OD2 2.99Å; Q1572-D1576 WeakPolarHBondContact O-CB 3.33Å; Q1572-D1576 PolarHBondContact O-N 3.22Å; D1576-S1578 VanDerWaalsContact C-N 3.32Å; D1576-S1578 PolarHBondContact O-N 3.27Å |
| 1577 | D | 81.9 | Confident | 88.3 | Confident | 71.8 Ų | 71.8 | 32.2 Ų | 32.2 | 38% | 0.384 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 40.8 | -177.9 | -151.2 | 33.3 | 0 | 0 | 0 | 113.9 | K1540 V1573 L1575 E1579 R1692 | K1540-D1577 VanDerWaalsContact NZ-C 3.34Å; K1540-D1577 PolarHBondContact NZ-O 3.21Å; V1573-D1577 PolarHBondContact O-N 3.17Å; L1575-D1577 VanDerWaalsContact C-N 3.3Å; L1575-D1577 PolarHBondContact O-N 3.1Å; D1577-E1579 PolarHBondContact O-N 2.99Å; D1577-E1579 VanDerWaalsContact O-N 3.11Å; D1577-R1692 VanDerWaalsContact CA-NH1 3.26Å; D1577-R1692 VanDerWaalsContact CG-NH1 3.34Å; D1577-R1692 VanDerWaalsContact OD1-CD 3.26Å; D1577-R1692 WeakPolarHBondContact OD1-CD 3.23Å; D1577-R1692 IonicContact OD1-CZ 2.64Å; D1577-R1692 IonicContact OD1-NE 3.73Å; D1577-R1692 IonicContact OD1-NH1 3.22Å; D1577-R1692 PolarHBondContact OD1-NH1 3.19Å; D1577-R1692 VanDerWaalsContact OD1-NH1 3.09Å |
| 1578 | S | 83.4 | Confident | 88.4 | Confident | 9.6 Ų | 9.6 | 30.7 Ų | 30.7 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | trans | -79.2 | 93.4 | 176.8 | 98.6 | 0 | 0 | 0 | 0 | 109.7 | H1538 V1573 D1576 N1580 G1581 I1582 | H1538-S1578 VanDerWaalsContact O-CB 3.27Å; H1538-S1578 WeakPolarHBondContact O-CB 3.38Å; H1538-S1578 PolarHBondContact O-OG 3.15Å; V1573-S1578 WeakPolarHBondContact CG1-OG 3.27Å; V1573-S1578 PolarHBondContact O-N 3.21Å; V1573-S1578 PolarHBondContact O-OG 3.25Å; D1576-S1578 VanDerWaalsContact C-N 3.32Å; D1576-S1578 PolarHBondContact O-N 3.27Å; S1578-N1580 PolarHBondContact O-N 3.27Å; S1578-N1580 VanDerWaalsContact O-N 3.14Å; S1578-G1581 CarbonylContact O-C 3.44Å; S1578-G1581 WeakPolarHBondContact O-CA 3.24Å; S1578-G1581 PolarHBondContact O-N 3.16Å; S1578-I1582 WeakPolarHBondContact O-CG1 3.37Å; S1578-I1582 PolarHBondContact O-N 3.11Å | ||
| 1579 | E | 85.7 | Confident | 88.4 | Confident | 151.2 Ų | 151.2 | 30.6 Ų | 30.6 | 71% | 0.707 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -49.2 | -44.2 | -179.6 | -65.4 | -175.7 | 169.9 | 0 | 0 | 112.5 | D1577 G1581 I1582 S1583 | D1577-E1579 PolarHBondContact O-N 2.99Å; D1577-E1579 VanDerWaalsContact O-N 3.11Å; E1579-G1581 PolarHBondContact O-N 3.01Å; E1579-I1582 PolarHBondContact O-N 3.08Å; E1579-S1583 VanDerWaalsContact O-CB 3.31Å; E1579-S1583 WeakPolarHBondContact O-CB 3.38Å; E1579-S1583 PolarHBondContact O-N 3.33Å; E1579-S1583 PolarHBondContact O-OG 3.12Å |
| 1580 | N | 85.7 | Confident | 88.5 | Confident | 116.8 Ų | 116.8 | 32.7 Ų | 32.7 | 63% | 0.625 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -61.9 | -44.2 | 175.4 | -66.9 | -16.5 | 0 | 0 | 0 | 112.1 | S1578 S1583 A1584 | S1578-N1580 PolarHBondContact O-N 3.27Å; S1578-N1580 VanDerWaalsContact O-N 3.14Å; N1580-S1583 WeakPolarHBondContact CA-OG 3.34Å; N1580-S1583 PolarHBondContact O-N 2.97Å; N1580-S1583 PolarHBondContact O-OG 3.31Å; N1580-A1584 VanDerWaalsContact O-CB 3.26Å; N1580-A1584 WeakPolarHBondContact O-CB 3.34Å; N1580-A1584 PolarHBondContact O-N 2.96Å |
| 1581 | G | 86.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.5 | -38.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1573 S1578 E1579 A1584 L1585 | V1573-G1581 VanDerWaalsContact CG1-C 3.48Å; S1578-G1581 CarbonylContact O-C 3.44Å; S1578-G1581 WeakPolarHBondContact O-CA 3.24Å; S1578-G1581 PolarHBondContact O-N 3.16Å; E1579-G1581 PolarHBondContact O-N 3.01Å; G1581-A1584 WeakPolarHBondContact O-CB 3.27Å; G1581-A1584 PolarHBondContact O-N 3.1Å; G1581-L1585 VanDerWaalsContact O-CB 3.26Å; G1581-L1585 WeakPolarHBondContact O-CB 3.33Å; G1581-L1585 PolarHBondContact O-N 3.16Å |
| 1582 | I | 88.4 | Confident | 88.4 | Confident | 37 Ų | 37 | 33.2 Ų | 33.2 | 19% | 0.19 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.9 | -43.2 | 177.1 | -62.6 | 173.1 | 0 | 0 | 0 | 110 | V1573 L1574 S1578 E1579 A1584 L1585 K1586 F1696 | V1573-I1582 HydrophobicContact CG1-CG1 4.19Å; L1574-I1582 HydrophobicContact CD2-CD1 4.38Å; L1574-I1582 HydrophobicContact CD2-CG1 4.08Å; L1574-I1582 HydrophobicContact CD2-CG2 4.36Å; S1578-I1582 WeakPolarHBondContact O-CG1 3.37Å; S1578-I1582 PolarHBondContact O-N 3.11Å; E1579-I1582 PolarHBondContact O-N 3.08Å; I1582-A1584 VanDerWaalsContact C-N 3.35Å; I1582-L1585 PolarHBondContact O-N 3.15Å; I1582-K1586 VanDerWaalsContact O-CB 3.3Å; I1582-K1586 WeakPolarHBondContact O-CB 3.37Å; I1582-K1586 PolarHBondContact O-N 3.29Å; I1582-F1696 HydrophobicContact CG2-CD2 3.89Å; I1582-F1696 HydrophobicContact CG2-CE2 4.25Å |
| 1583 | S | 89.3 | Confident | 88.5 | Confident | 67.4 Ų | 67.4 | 32.7 Ų | 32.7 | 47% | 0.471 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.7 | 67.7 | 0 | 0 | 0 | 0 | 111.9 | E1579 N1580 K1586 S1587 | E1579-S1583 VanDerWaalsContact O-CB 3.31Å; E1579-S1583 WeakPolarHBondContact O-CB 3.38Å; E1579-S1583 PolarHBondContact O-N 3.33Å; E1579-S1583 PolarHBondContact O-OG 3.12Å; N1580-S1583 WeakPolarHBondContact CA-OG 3.34Å; N1580-S1583 PolarHBondContact O-N 2.97Å; N1580-S1583 PolarHBondContact O-OG 3.31Å; S1583-K1586 PolarHBondContact O-N 3.17Å; S1583-S1587 VanDerWaalsContact O-CB 3.3Å; S1583-S1587 WeakPolarHBondContact O-CB 3.24Å; S1583-S1587 PolarHBondContact O-N 3.07Å; S1583-S1587 PolarHBondContact O-OG 3.28Å; S1583-S1587 VanDerWaalsContact O-OG 3.12Å |
| 1584 | A | 88.8 | Confident | 88.4 | Confident | 9.6 Ų | 9.6 | 34.9 Ų | 34.9 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1513 N1580 G1581 I1582 K1586 S1587 E1588 | I1513-A1584 HydrophobicContact CD1-CB 3.51Å; I1513-A1584 HydrophobicContact CG2-CB 4.42Å; N1580-A1584 VanDerWaalsContact O-CB 3.26Å; N1580-A1584 WeakPolarHBondContact O-CB 3.34Å; N1580-A1584 PolarHBondContact O-N 2.96Å; G1581-A1584 WeakPolarHBondContact O-CB 3.27Å; G1581-A1584 PolarHBondContact O-N 3.1Å; I1582-A1584 VanDerWaalsContact C-N 3.35Å; A1584-K1586 VanDerWaalsContact C-N 3.33Å; A1584-K1586 PolarHBondContact O-N 2.87Å; A1584-S1587 WeakPolarHBondContact CA-OG 3.38Å; A1584-S1587 PolarHBondContact O-N 3.32Å; A1584-S1587 PolarHBondContact O-OG 3.17Å; A1584-E1588 PolarHBondContact O-N 3.15Å; A1584-E1588 VanDerWaalsContact O-N 3.09Å |
| 1585 | L | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.3 | -178.5 | 66 | 0 | 0 | 0 | 110.9 | W1531 L1535 A1570 L1574 G1581 I1582 I1589 L1643 F1696 | W1531-L1585 HydrophobicContact CZ2-CD1 3.86Å; L1535-L1585 HydrophobicContact CD1-CB 4.08Å; L1535-L1585 HydrophobicContact CD1-CD1 4.04Å; L1535-L1585 HydrophobicContact CD2-CB 3.93Å; L1535-L1585 HydrophobicContact CD2-CD1 3.9Å; L1535-L1585 HydrophobicContact CD2-CG 4.49Å; L1535-L1585 HydrophobicContact CG-CD1 4.46Å; A1570-L1585 HydrophobicContact CB-CD1 4.16Å; A1570-L1585 HydrophobicContact CB-CD2 4.06Å; L1574-L1585 HydrophobicContact CD1-CD2 4.47Å; L1574-L1585 HydrophobicContact CG-CD2 4.44Å; G1581-L1585 VanDerWaalsContact O-CB 3.26Å; G1581-L1585 WeakPolarHBondContact O-CB 3.33Å; G1581-L1585 PolarHBondContact O-N 3.16Å; I1582-L1585 PolarHBondContact O-N 3.15Å; L1585-I1589 HydrophobicContact CD1-CD1 4.17Å; L1585-I1589 HydrophobicContact CG-CD1 4.06Å; L1585-I1589 WeakPolarHBondContact O-CD1 3.2Å; L1585-I1589 VanDerWaalsContact O-CG1 3.28Å; L1585-I1589 WeakPolarHBondContact O-CG1 3.27Å; L1585-I1589 PolarHBondContact O-N 3.13Å; L1585-I1589 VanDerWaalsContact O-N 3.12Å; L1585-L1643 HydrophobicContact CD1-CD2 4.17Å; L1585-F1696 HydrophobicContact CD2-CE1 4.05Å; L1585-F1696 HydrophobicContact CD2-CE2 3.97Å; L1585-F1696 HydrophobicContact CD2-CZ 3.49Å; L1585-F1696 VanDerWaalsContact CD2-CZ 3.47Å; L1585-F1696 HydrophobicContact CG-CE2 4.26Å; L1585-F1696 HydrophobicContact CG-CZ 3.76Å |
| 1586 | K | 92.2 | Very high | 88.1 | Confident | 70.8 Ų | 70.8 | 35.1 Ų | 35.1 | 31% | 0.308 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 177.9 | -173.3 | 177.9 | -179.4 | 178.7 | 0 | 111.7 | I1582 S1583 A1584 E1588 I1589 L1590 F1696 N1699 | I1582-K1586 VanDerWaalsContact O-CB 3.3Å; I1582-K1586 WeakPolarHBondContact O-CB 3.37Å; I1582-K1586 PolarHBondContact O-N 3.29Å; S1583-K1586 PolarHBondContact O-N 3.17Å; A1584-K1586 VanDerWaalsContact C-N 3.33Å; A1584-K1586 PolarHBondContact O-N 2.87Å; K1586-E1588 VanDerWaalsContact C-N 3.32Å; K1586-E1588 PolarHBondContact O-N 3.01Å; K1586-I1589 PolarHBondContact O-N 3.2Å; K1586-L1590 HydrophobicContact CD-CD1 4.46Å; K1586-L1590 HydrophobicContact CG-CD1 3.91Å; K1586-L1590 HydrophobicContact CG-CG 4.29Å; K1586-L1590 WeakPolarHBondContact O-CB 3.28Å; K1586-L1590 VanDerWaalsContact O-CG 3.28Å; K1586-L1590 WeakPolarHBondContact O-CG 3.4Å; K1586-L1590 PolarHBondContact O-N 3.12Å; K1586-F1696 HydrophobicContact CB-CE2 4.12Å; K1586-N1699 PolarHBondContact NZ-O 3.06Å |
| 1587 | S | 90.6 | Very high | 88 | Confident | 43.4 Ų | 43.4 | 34.8 Ų | 34.8 | 30% | 0.303 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.6 | -39.8 | -178.5 | 74.8 | 0 | 0 | 0 | 0 | 111.8 | I1513 S1583 A1584 A1591 | I1513-S1587 VanDerWaalsContact CG2-OG 3.3Å; I1513-S1587 WeakPolarHBondContact CG2-OG 3.32Å; S1583-S1587 VanDerWaalsContact O-CB 3.3Å; S1583-S1587 WeakPolarHBondContact O-CB 3.24Å; S1583-S1587 PolarHBondContact O-N 3.07Å; S1583-S1587 PolarHBondContact O-OG 3.28Å; S1583-S1587 VanDerWaalsContact O-OG 3.12Å; A1584-S1587 WeakPolarHBondContact CA-OG 3.38Å; A1584-S1587 PolarHBondContact O-N 3.32Å; A1584-S1587 PolarHBondContact O-OG 3.17Å; S1587-A1591 WeakPolarHBondContact O-CB 3.37Å; S1587-A1591 PolarHBondContact O-N 3.09Å |
| 1588 | E | 92.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67 | -46.9 | 176.2 | -166.9 | 68.3 | -163.2 | 0 | 0 | 111.5 | I1513 P1514 I1515 I1516 W1527 W1531 A1584 K1586 L1590 A1591 V1592 | I1513-E1588 HydrophobicContact CG2-CB 4.44Å; P1514-E1588 WeakPolarHBondContact CA-OE2 3.33Å; P1514-E1588 WeakPolarHBondContact CB-OE2 3.47Å; I1515-E1588 WeakPolarHBondContact CB-OE1 3.3Å; I1515-E1588 PolarHBondContact N-OE1 3.14Å; I1515-E1588 PolarHBondContact N-OE2 3.21Å; I1516-E1588 WeakPolarHBondContact CG1-OE1 3.46Å; I1516-E1588 PolarHBondContact N-OE1 3.3Å; I1516-E1588 VanDerWaalsContact N-OE1 3.14Å; W1527-E1588 HydrophobicContact CZ2-CG 4.49Å; W1527-E1588 PolarHBondContact NE1-OE1 3.05Å; W1531-E1588 HydrophobicContact CD2-CG 3.95Å; W1531-E1588 VanDerWaalsContact CE2-CG 3.48Å; W1531-E1588 HydrophobicContact CE3-CG 4.49Å; W1531-E1588 HydrophobicContact CG-CG 4.15Å; W1531-E1588 HydrophobicContact CH2-CG 4.49Å; W1531-E1588 HydrophobicContact CZ2-CB 4.06Å; W1531-E1588 HydrophobicContact CZ2-CG 3.98Å; A1584-E1588 PolarHBondContact O-N 3.15Å; A1584-E1588 VanDerWaalsContact O-N 3.09Å; K1586-E1588 VanDerWaalsContact C-N 3.32Å; K1586-E1588 PolarHBondContact O-N 3.01Å; E1588-L1590 VanDerWaalsContact C-N 3.32Å; E1588-L1590 PolarHBondContact O-N 3.22Å; E1588-A1591 PolarHBondContact O-N 3.15Å; E1588-A1591 VanDerWaalsContact O-N 3.16Å; E1588-V1592 HydrophobicContact CG-CG2 4.41Å; E1588-V1592 VanDerWaalsContact O-CG2 3.3Å; E1588-V1592 WeakPolarHBondContact O-CG2 3.33Å; E1588-V1592 PolarHBondContact O-N 3.26Å |
| 1589 | I | 93 | Very high | 87.4 | Confident | 0.4 Ų | 0.4 | 36.2 Ų | 36.2 | 0% | 0.002 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 178.6 | -72.2 | 169.6 | 0 | 0 | 0 | 110.9 | W1531 L1585 K1586 V1592 F1593 I1640 L1643 F1696 I1700 | W1531-I1589 HydrophobicContact CH2-CG1 4.11Å; W1531-I1589 HydrophobicContact CZ2-CG1 4.03Å; L1585-I1589 HydrophobicContact CD1-CD1 4.17Å; L1585-I1589 HydrophobicContact CG-CD1 4.06Å; L1585-I1589 WeakPolarHBondContact O-CD1 3.2Å; L1585-I1589 VanDerWaalsContact O-CG1 3.28Å; L1585-I1589 WeakPolarHBondContact O-CG1 3.27Å; L1585-I1589 PolarHBondContact O-N 3.13Å; L1585-I1589 VanDerWaalsContact O-N 3.12Å; K1586-I1589 PolarHBondContact O-N 3.2Å; I1589-V1592 PolarHBondContact O-N 2.99Å; I1589-F1593 HydrophobicContact CG2-CD2 3.87Å; I1589-F1593 HydrophobicContact CG2-CE2 3.59Å; I1589-F1593 HydrophobicContact CG2-CZ 4.38Å; I1589-F1593 VanDerWaalsContact O-CD2 3.25Å; I1589-F1593 WeakPolarHBondContact O-CD2 3.32Å; I1589-F1593 WeakPolarHBondContact O-CG 3.43Å; I1589-F1593 PolarHBondContact O-N 3.13Å; I1589-F1593 VanDerWaalsContact O-N 3.13Å; I1589-I1640 HydrophobicContact CB-CG2 4.5Å; I1589-I1640 HydrophobicContact CG1-CG1 4.47Å; I1589-I1640 HydrophobicContact CG1-CG2 4.17Å; I1589-I1640 HydrophobicContact CG2-CG2 3.89Å; I1589-L1643 HydrophobicContact CD1-CD2 4.36Å; I1589-F1696 HydrophobicContact CD1-CE1 4.38Å; I1589-F1696 HydrophobicContact CD1-CZ 3.91Å; I1589-I1700 HydrophobicContact CD1-CD1 4.46Å; I1589-I1700 HydrophobicContact CG2-CD1 4.32Å; I1589-I1700 HydrophobicContact CG2-CG2 4.44Å |
| 1590 | L | 92.3 | Very high | 86.2 | Confident | 45.4 Ų | 45.4 | 30.8 Ų | 30.8 | 24% | 0.238 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 178.3 | -68.4 | 178.6 | 0 | 0 | 0 | 111.3 | K1586 E1588 V1592 F1593 T1594 P1701 L1704 | K1586-L1590 HydrophobicContact CD-CD1 4.46Å; K1586-L1590 HydrophobicContact CG-CD1 3.91Å; K1586-L1590 HydrophobicContact CG-CG 4.29Å; K1586-L1590 WeakPolarHBondContact O-CB 3.28Å; K1586-L1590 VanDerWaalsContact O-CG 3.28Å; K1586-L1590 WeakPolarHBondContact O-CG 3.4Å; K1586-L1590 PolarHBondContact O-N 3.12Å; E1588-L1590 VanDerWaalsContact C-N 3.32Å; E1588-L1590 PolarHBondContact O-N 3.22Å; L1590-V1592 VanDerWaalsContact C-N 3.33Å; L1590-V1592 PolarHBondContact O-N 3.04Å; L1590-F1593 PolarHBondContact O-N 3.24Å; L1590-T1594 WeakPolarHBondContact O-CB 3.31Å; L1590-T1594 WeakPolarHBondContact O-CG2 3.42Å; L1590-T1594 PolarHBondContact O-N 3.08Å; L1590-T1594 PolarHBondContact O-OG1 3.08Å; L1590-T1594 VanDerWaalsContact O-OG1 3.09Å; L1590-P1701 HydrophobicContact CD2-CG 4.39Å; L1590-L1704 HydrophobicContact CD2-CD1 3.81Å; L1590-L1704 HydrophobicContact CD2-CD2 3.79Å |
| 1591 | A | 89.1 | Confident | 84.7 | Confident | 9.8 Ų | 9.8 | 27.8 Ų | 27.8 | 8% | 0.081 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1514 I1516 T1517 S1587 E1588 T1594 E1595 | P1514-A1591 HydrophobicContact CB-CB 3.42Å; P1514-A1591 VanDerWaalsContact CB-CB 3.43Å; P1514-A1591 HydrophobicContact CG-CB 3.82Å; I1516-A1591 HydrophobicContact CG2-CB 3.85Å; T1517-A1591 HydrophobicContact CG2-CB 4.33Å; S1587-A1591 WeakPolarHBondContact O-CB 3.37Å; S1587-A1591 PolarHBondContact O-N 3.09Å; E1588-A1591 PolarHBondContact O-N 3.15Å; E1588-A1591 VanDerWaalsContact O-N 3.16Å; A1591-T1594 VanDerWaalsContact CA-OG1 3.31Å; A1591-T1594 WeakPolarHBondContact CA-OG1 3.37Å; A1591-T1594 PolarHBondContact O-N 3.27Å; A1591-T1594 PolarHBondContact O-OG1 3.12Å; A1591-E1595 VanDerWaalsContact O-CB 3.25Å; A1591-E1595 WeakPolarHBondContact O-CB 3.36Å; A1591-E1595 PolarHBondContact O-N 3.14Å |
| 1592 | V | 89.3 | Confident | 82.8 | Confident | 0.4 Ų | 0.4 | 33.5 Ų | 33.5 | 0% | 0.002 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -46.9 | 176.7 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | I1516 W1527 E1588 I1589 L1590 E1595 V1596 S1636 V1637 I1640 | I1516-V1592 HydrophobicContact CB-CG2 4.3Å; I1516-V1592 HydrophobicContact CD1-CB 4.14Å; I1516-V1592 HydrophobicContact CD1-CG1 4.14Å; I1516-V1592 HydrophobicContact CD1-CG2 3.61Å; I1516-V1592 HydrophobicContact CG1-CG2 4.11Å; I1516-V1592 HydrophobicContact CG2-CG2 4.1Å; W1527-V1592 HydrophobicContact CH2-CG2 4.46Å; W1527-V1592 HydrophobicContact CZ2-CG2 3.7Å; E1588-V1592 HydrophobicContact CG-CG2 4.41Å; E1588-V1592 VanDerWaalsContact O-CG2 3.3Å; E1588-V1592 WeakPolarHBondContact O-CG2 3.33Å; E1588-V1592 PolarHBondContact O-N 3.26Å; I1589-V1592 PolarHBondContact O-N 2.99Å; L1590-V1592 VanDerWaalsContact C-N 3.33Å; L1590-V1592 PolarHBondContact O-N 3.04Å; V1592-E1595 PolarHBondContact O-N 3.3Å; V1592-V1596 HydrophobicContact CG1-CG2 4.44Å; V1592-V1596 WeakPolarHBondContact O-CB 3.39Å; V1592-V1596 VanDerWaalsContact O-CG2 3.31Å; V1592-V1596 WeakPolarHBondContact O-CG2 3.39Å; V1592-V1596 PolarHBondContact O-N 3.1Å; V1592-V1596 VanDerWaalsContact O-N 3.08Å; V1592-S1636 WeakPolarHBondContact CG1-OG 3.34Å; V1592-V1637 HydrophobicContact CG1-CG2 4.12Å; V1592-I1640 HydrophobicContact CB-CD1 3.39Å; V1592-I1640 VanDerWaalsContact CB-CD1 3.42Å; V1592-I1640 HydrophobicContact CG1-CD1 3.4Å; V1592-I1640 VanDerWaalsContact CG1-CD1 3.42Å; V1592-I1640 HydrophobicContact CG2-CD1 3.75Å |
| 1593 | F | 91 | Very high | 80.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 178.1 | -70.7 | -34.8 | 0 | 0 | 0 | 112.1 | I1589 L1590 E1595 V1596 T1597 V1637 I1640 F1641 L1644 I1700 L1704 Q1705 A1708 | I1589-F1593 HydrophobicContact CG2-CD2 3.87Å; I1589-F1593 HydrophobicContact CG2-CE2 3.59Å; I1589-F1593 HydrophobicContact CG2-CZ 4.38Å; I1589-F1593 VanDerWaalsContact O-CD2 3.25Å; I1589-F1593 WeakPolarHBondContact O-CD2 3.32Å; I1589-F1593 WeakPolarHBondContact O-CG 3.43Å; I1589-F1593 PolarHBondContact O-N 3.13Å; I1589-F1593 VanDerWaalsContact O-N 3.13Å; L1590-F1593 PolarHBondContact O-N 3.24Å; F1593-E1595 PolarHBondContact O-N 3.15Å; F1593-V1596 PolarHBondContact O-N 3.25Å; F1593-T1597 WeakPolarHBondContact O-CB 3.38Å; F1593-T1597 VanDerWaalsContact O-CG2 3.26Å; F1593-T1597 WeakPolarHBondContact O-CG2 3.36Å; F1593-T1597 PolarHBondContact O-N 3.14Å; F1593-T1597 PolarHBondContact O-OG1 3.21Å; F1593-T1597 VanDerWaalsContact O-OG1 3.08Å; F1593-V1637 HydrophobicContact CD1-CG2 4.37Å; F1593-V1637 HydrophobicContact CE1-CG1 4.23Å; F1593-I1640 HydrophobicContact CE1-CB 4.34Å; F1593-I1640 HydrophobicContact CE1-CD1 4.38Å; F1593-I1640 HydrophobicContact CE1-CG2 3.9Å; F1593-I1640 HydrophobicContact CE2-CG2 3.99Å; F1593-I1640 HydrophobicContact CZ-CB 4.3Å; F1593-I1640 HydrophobicContact CZ-CG2 3.39Å; F1593-I1640 VanDerWaalsContact CZ-CG2 3.43Å; F1593-F1641 AromaticContact CE1-CE1 3.99Å; F1593-F1641 HydrophobicContact CE1-CE1 4.05Å; F1593-F1641 HydrophobicContact CE1-CE2 4.34Å; F1593-F1641 AromaticContact CE1-CZ 3.92Å; F1593-F1641 HydrophobicContact CE1-CZ 3.97Å; F1593-F1641 HydrophobicContact CZ-CD1 4.33Å; F1593-F1641 AromaticContact CZ-CE1 3.8Å; F1593-F1641 HydrophobicContact CZ-CE1 3.8Å; F1593-F1641 HydrophobicContact CZ-CZ 4.19Å; F1593-L1644 HydrophobicContact CE2-CD1 4.42Å; F1593-L1644 HydrophobicContact CZ-CD1 4.27Å; F1593-I1700 HydrophobicContact CE2-CG2 4.17Å; F1593-L1704 HydrophobicContact CB-CB 4.33Å; F1593-L1704 HydrophobicContact CB-CD1 4.28Å; F1593-L1704 HydrophobicContact CB-CD2 3.44Å; F1593-L1704 HydrophobicContact CB-CG 3.64Å; F1593-L1704 HydrophobicContact CD2-CD2 4.06Å; F1593-L1704 HydrophobicContact CD2-CG 4.4Å; F1593-L1704 HydrophobicContact CG-CD2 4.24Å; F1593-L1704 HydrophobicContact CG-CG 4.43Å; F1593-Q1705 HydrophobicContact CD2-CG 4.46Å; F1593-Q1705 HydrophobicContact CE2-CG 3.76Å; F1593-Q1705 HydrophobicContact CZ-CG 4.07Å; F1593-A1708 HydrophobicContact CB-CB 4.36Å; F1593-A1708 HydrophobicContact CD1-CB 3.51Å; F1593-A1708 VanDerWaalsContact CD1-CB 3.47Å; F1593-A1708 HydrophobicContact CE1-CB 4.08Å; F1593-A1708 HydrophobicContact CG-CB 4.19Å |
| 1594 | T | 87.3 | Confident | 78.4 | Confident | 47.2 Ų | 47.2 | 33.2 Ų | 33.2 | 29% | 0.29 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 178 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | L1590 A1591 V1596 T1597 E1598 L1704 | L1590-T1594 WeakPolarHBondContact O-CB 3.31Å; L1590-T1594 WeakPolarHBondContact O-CG2 3.42Å; L1590-T1594 PolarHBondContact O-N 3.08Å; L1590-T1594 PolarHBondContact O-OG1 3.08Å; L1590-T1594 VanDerWaalsContact O-OG1 3.09Å; A1591-T1594 VanDerWaalsContact CA-OG1 3.31Å; A1591-T1594 WeakPolarHBondContact CA-OG1 3.37Å; A1591-T1594 PolarHBondContact O-N 3.27Å; A1591-T1594 PolarHBondContact O-OG1 3.12Å; T1594-V1596 VanDerWaalsContact C-N 3.33Å; T1594-V1596 PolarHBondContact O-N 3.03Å; T1594-T1597 WeakPolarHBondContact CA-OG1 3.3Å; T1594-T1597 PolarHBondContact O-N 3.24Å; T1594-T1597 VanDerWaalsContact O-N 3.14Å; T1594-T1597 PolarHBondContact O-OG1 2.93Å; T1594-E1598 VanDerWaalsContact O-CB 3.32Å; T1594-E1598 WeakPolarHBondContact O-CB 3.33Å; T1594-E1598 WeakPolarHBondContact O-CG 3.33Å; T1594-E1598 PolarHBondContact O-N 3.09Å; T1594-L1704 HydrophobicContact CG2-CD1 4.16Å; T1594-L1704 HydrophobicContact CG2-CD2 4.27Å |
| 1595 | E | 84.5 | Confident | 76.3 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 179.9 | -169.1 | 69.6 | -159.6 | 0 | 0 | 111.3 | I1516 A1591 V1592 F1593 T1597 E1598 S1599 R1627 F1633 | I1516-E1595 HydrophobicContact CD1-CB 4.32Å; I1516-E1595 HydrophobicContact CD1-CG 4.32Å; I1516-E1595 HydrophobicContact CG1-CG 4.44Å; I1516-E1595 HydrophobicContact CG2-CB 4.33Å; I1516-E1595 HydrophobicContact CG2-CG 4.04Å; A1591-E1595 VanDerWaalsContact O-CB 3.25Å; A1591-E1595 WeakPolarHBondContact O-CB 3.36Å; A1591-E1595 PolarHBondContact O-N 3.14Å; V1592-E1595 PolarHBondContact O-N 3.3Å; F1593-E1595 PolarHBondContact O-N 3.15Å; E1595-T1597 VanDerWaalsContact C-N 3.32Å; E1595-T1597 PolarHBondContact O-N 3.27Å; E1595-E1598 PolarHBondContact O-N 3.26Å; E1595-S1599 VanDerWaalsContact O-CB 3.26Å; E1595-S1599 WeakPolarHBondContact O-CB 3.37Å; E1595-S1599 PolarHBondContact O-N 3.05Å; E1595-S1599 PolarHBondContact O-OG 3.04Å; E1595-R1627 VanDerWaalsContact CD-NH1 3.34Å; E1595-R1627 VanDerWaalsContact OE1-CB 3.29Å; E1595-R1627 WeakPolarHBondContact OE1-CB 3.24Å; E1595-R1627 WeakPolarHBondContact OE1-CD 3.48Å; E1595-R1627 WeakPolarHBondContact OE1-CG 3.36Å; E1595-R1627 IonicContact OE1-CZ 2.76Å; E1595-R1627 IonicContact OE1-NE 3.26Å; E1595-R1627 PolarHBondContact OE1-NE 3.47Å; E1595-R1627 IonicContact OE1-NH1 3.04Å; E1595-R1627 PolarHBondContact OE1-NH1 3.19Å; E1595-R1627 IonicContact OE2-CZ 3.78Å; E1595-R1627 IonicContact OE2-NE 2.9Å; E1595-R1627 IonicContact OE2-NH1 3.91Å; E1595-R1627 PolarHBondContact OE2-NH1 3.18Å; E1595-F1633 HydrophobicContact CG-CE1 4.45Å; E1595-F1633 HydrophobicContact CG-CE2 4.4Å; E1595-F1633 HydrophobicContact CG-CZ 4.02Å |
| 1596 | V | 84.1 | Confident | 73.9 | Confident | 0.2 Ų | 0.2 | 42.4 Ų | 42.4 | 0% | 0.001 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 177.5 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | V1592 F1593 T1594 S1599 W1629 F1633 V1637 R1711 | V1592-V1596 HydrophobicContact CG1-CG2 4.44Å; V1592-V1596 WeakPolarHBondContact O-CB 3.39Å; V1592-V1596 VanDerWaalsContact O-CG2 3.31Å; V1592-V1596 WeakPolarHBondContact O-CG2 3.39Å; V1592-V1596 PolarHBondContact O-N 3.1Å; V1592-V1596 VanDerWaalsContact O-N 3.08Å; F1593-V1596 PolarHBondContact O-N 3.25Å; T1594-V1596 VanDerWaalsContact C-N 3.33Å; T1594-V1596 PolarHBondContact O-N 3.03Å; V1596-S1599 PolarHBondContact O-OG 3.21Å; V1596-S1599 VanDerWaalsContact O-OG 3.06Å; V1596-W1629 HydrophobicContact CG1-CH2 4.15Å; V1596-W1629 HydrophobicContact CG1-CZ3 3.92Å; V1596-F1633 HydrophobicContact CG2-CB 3.83Å; V1596-F1633 HydrophobicContact CG2-CD1 4.46Å; V1596-F1633 HydrophobicContact CG2-CD2 4.23Å; V1596-F1633 HydrophobicContact CG2-CG 4.01Å; V1596-V1637 HydrophobicContact CB-CG2 4.09Å; V1596-V1637 HydrophobicContact CG1-CG2 4.07Å; V1596-V1637 HydrophobicContact CG2-CG2 3.59Å; V1596-R1711 HydrophobicContact CG1-CB 4.28Å |
| 1597 | T | 81.3 | Confident | 71.9 | Confident | 25.8 Ų | 25.8 | 40.3 Ų | 40.3 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.4 | -33.5 | 178.8 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | F1593 T1594 E1595 L1704 K1707 A1708 R1711 | F1593-T1597 WeakPolarHBondContact O-CB 3.38Å; F1593-T1597 VanDerWaalsContact O-CG2 3.26Å; F1593-T1597 WeakPolarHBondContact O-CG2 3.36Å; F1593-T1597 PolarHBondContact O-N 3.14Å; F1593-T1597 PolarHBondContact O-OG1 3.21Å; F1593-T1597 VanDerWaalsContact O-OG1 3.08Å; T1594-T1597 WeakPolarHBondContact CA-OG1 3.3Å; T1594-T1597 PolarHBondContact O-N 3.24Å; T1594-T1597 VanDerWaalsContact O-N 3.14Å; T1594-T1597 PolarHBondContact O-OG1 2.93Å; E1595-T1597 VanDerWaalsContact C-N 3.32Å; E1595-T1597 PolarHBondContact O-N 3.27Å; T1597-L1704 HydrophobicContact CG2-CD1 4.07Å; T1597-K1707 HydrophobicContact CG2-CB 3.46Å; T1597-K1707 VanDerWaalsContact CG2-CB 3.46Å; T1597-K1707 HydrophobicContact CG2-CD 4.43Å; T1597-A1708 HydrophobicContact CG2-CB 4.27Å; T1597-R1711 PolarHBondContact O-NH2 2.97Å |
| 1598 | E | 78.6 | Confident | 70 | Confident | 108.2 Ų | 108.2 | 40.8 Ų | 40.8 | 51% | 0.506 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -87.6 | -21 | -178.8 | -69.2 | 177.3 | -171.5 | 0 | 0 | 112.7 | T1594 E1595 S1600 Y1626 R1627 | T1594-E1598 VanDerWaalsContact O-CB 3.32Å; T1594-E1598 WeakPolarHBondContact O-CB 3.33Å; T1594-E1598 WeakPolarHBondContact O-CG 3.33Å; T1594-E1598 PolarHBondContact O-N 3.09Å; E1595-E1598 PolarHBondContact O-N 3.26Å; E1598-S1600 PolarHBondContact O-N 3.5Å; E1598-Y1626 WeakPolarHBondContact O-CD1 3.38Å; E1598-Y1626 WeakPolarHBondContact O-CE1 3.38Å; E1598-R1627 IonicContact OE2-NE 3.31Å |
| 1599 | S | 74 | Confident | 68.2 | Low | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 139.9 | 179.4 | 64.6 | 0 | 0 | 0 | 0 | 113 | E1595 V1596 R1627 W1629 R1711 | E1595-S1599 VanDerWaalsContact O-CB 3.26Å; E1595-S1599 WeakPolarHBondContact O-CB 3.37Å; E1595-S1599 PolarHBondContact O-N 3.05Å; E1595-S1599 PolarHBondContact O-OG 3.04Å; V1596-S1599 PolarHBondContact O-OG 3.21Å; V1596-S1599 VanDerWaalsContact O-OG 3.06Å; S1599-R1627 WeakPolarHBondContact CA-O 3.32Å; S1599-W1629 VanDerWaalsContact OG-CE3 3.25Å; S1599-R1711 PolarHBondContact O-NH2 3.39Å |
| 1600 | S | 60.2 | Low | 66.1 | Low | 37.6 Ų | 37.6 | 44.1 Ų | 44.1 | 26% | 0.263 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -103.6 | 133.4 | 175.5 | -72.3 | 0 | 0 | 0 | 0 | 110.5 | E1598 E1602 Y1626 R1627 W1629 | E1598-S1600 PolarHBondContact O-N 3.5Å; S1600-E1602 PolarHBondContact O-N 3.48Å; S1600-Y1626 VanDerWaalsContact OG-CB 3.28Å; S1600-Y1626 WeakPolarHBondContact OG-CB 3.28Å; S1600-Y1626 WeakPolarHBondContact OG-CD1 3.23Å; S1600-Y1626 WeakPolarHBondContact OG-CE1 3.23Å; S1600-Y1626 VanDerWaalsContact OG-CG 3.25Å; S1600-R1627 PolarHBondContact N-O 2.99Å; S1600-R1627 VanDerWaalsContact N-O 3.13Å; S1600-W1629 VanDerWaalsContact O-CB 3.29Å; S1600-W1629 WeakPolarHBondContact O-CB 3.34Å; S1600-W1629 PolarHBondContact O-N 3.34Å; S1600-W1629 VanDerWaalsContact O-N 3.13Å |
| 1601 | H | 55.1 | Low | 64 | Low | 55.6 Ų | 55.6 | 45.6 Ų | 45.6 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -67.4 | 124.5 | 166.8 | -74.2 | -81.4 | 0 | 0 | 0 | 109 | N1603 G1604 W1629 | H1601-N1603 HydrophobicContact CB-CB 4.41Å; H1601-N1603 WeakPolarHBondContact CB-O 3.23Å; H1601-N1603 PolarHBondContact O-N 3.03Å; H1601-N1603 VanDerWaalsContact O-N 3.16Å; H1601-G1604 PolarHBondContact O-N 2.85Å; H1601-W1629 AromaticContact CE1-CD1 3.74Å; H1601-W1629 AromaticContact CE1-CD2 3.29Å; H1601-W1629 AromaticContact CE1-CE2 3.25Å; H1601-W1629 AromaticContact CE1-CE3 3.68Å; H1601-W1629 VanDerWaalsContact CE1-CE3 3.47Å; H1601-W1629 AromaticContact CE1-CG 3.7Å; H1601-W1629 VanDerWaalsContact CE1-CG 3.47Å; H1601-W1629 AromaticContact CE1-CH2 3.72Å; H1601-W1629 AromaticContact CE1-CZ2 3.6Å; H1601-W1629 WeakPolarHBondContact CE1-CZ2 3.48Å; H1601-W1629 AromaticContact CE1-CZ3 3.76Å; H1601-W1629 AromaticContact CE1-NE1 3.45Å; H1601-W1629 PolarHBondContact CE1-NE1 3.1Å; H1601-W1629 AromaticContact ND1-CD1 3.54Å; H1601-W1629 AromaticContact ND1-CD2 3.57Å; H1601-W1629 VanDerWaalsContact ND1-CD2 3.34Å; H1601-W1629 AromaticContact ND1-CE2 3.76Å; H1601-W1629 AromaticContact ND1-CE3 3.85Å; H1601-W1629 AromaticContact ND1-CG 3.47Å; H1601-W1629 AromaticContact ND1-NE1 3.73Å; H1601-W1629 AromaticContact NE2-CD2 3.75Å; H1601-W1629 AromaticContact NE2-CE2 3.78Å; H1601-W1629 AromaticContact NE2-CE3 3.71Å; H1601-W1629 AromaticContact NE2-CH2 3.79Å; H1601-W1629 AromaticContact NE2-CZ2 3.76Å; H1601-W1629 AromaticContact NE2-CZ3 3.74Å |
| 1602 | E | 46.5 | Very low | 62.1 | Low | 119.6 Ų | 119.6 | 45.6 Ų | 45.6 | 56% | 0.559 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -59.7 | -30.9 | 164.9 | -65 | -169.2 | 167 | 0 | 0 | 110.2 | S1600 G1604 P1628 E1974 | S1600-E1602 PolarHBondContact O-N 3.48Å; E1602-G1604 PolarHBondContact O-N 3.3Å; E1602-G1604 VanDerWaalsContact O-N 3.14Å; E1602-P1628 HydrophobicContact CG-CB 4.2Å; E1602-E1974 VanDerWaalsContact CB-OE2 3.29Å; E1602-E1974 WeakPolarHBondContact CB-OE2 3.39Å |
| 1603 | N | 44.4 | Very low | 60.2 | Low | 76.4 Ų | 76.4 | 46.2 Ų | 46.2 | 41% | 0.409 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -84.8 | 69.8 | 172.8 | -66.1 | -40 | 0 | 0 | 0 | 112.4 | H1601 S1605 E1974 | H1601-N1603 HydrophobicContact CB-CB 4.41Å; H1601-N1603 WeakPolarHBondContact CB-O 3.23Å; H1601-N1603 PolarHBondContact O-N 3.03Å; H1601-N1603 VanDerWaalsContact O-N 3.16Å; N1603-S1605 VanDerWaalsContact C-N 3.31Å; N1603-S1605 PolarHBondContact O-N 3.34Å; N1603-E1974 VanDerWaalsContact ND2-CD 3.34Å; N1603-E1974 PolarHBondContact ND2-OE2 3.09Å; N1603-E1974 PolarHBondContact OD1-OE2 3.16Å |
| 1604 | G | 41.2 | Very low | 58 | Low | 21 Ų | 21 | 49.3 Ų | 49.3 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 50.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1601 E1602 H1606 C1946 | H1601-G1604 PolarHBondContact O-N 2.85Å; E1602-G1604 PolarHBondContact O-N 3.3Å; E1602-G1604 VanDerWaalsContact O-N 3.14Å; G1604-H1606 PolarHBondContact O-N 2.79Å; G1604-C1946 PolarHBondContact O-SG 3.45Å; G1604-C1946 VanDerWaalsContact O-SG 3.36Å |
| 1605 | S | 43.2 | Very low | 55.8 | Low | 76.8 Ų | 76.8 | 49.5 Ų | 49.5 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -24.5 | 171.8 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | N1603 I1607 | N1603-S1605 VanDerWaalsContact C-N 3.31Å; N1603-S1605 PolarHBondContact O-N 3.34Å; S1605-I1607 PolarHBondContact O-N 3.02Å; S1605-I1607 VanDerWaalsContact O-N 3.12Å |
| 1606 | H | 42.5 | Very low | 53.6 | Low | 124.8 Ų | 124.8 | 51.5 Ų | 51.5 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -90.9 | 98.5 | 172.7 | -85.8 | -82.2 | 0 | 0 | 0 | 109.7 | G1604 E1608 | G1604-H1606 PolarHBondContact O-N 2.79Å; H1606-E1608 PolarHBondContact O-N 3.12Å; H1606-E1608 VanDerWaalsContact O-N 3.15Å |
| 1607 | I | 48.5 | Very low | 51.3 | Low | 27.8 Ų | 27.8 | 59 Ų | 59 | 14% | 0.143 | 31% | 0.305 | C | S | . | . | trans | -69 | 116.8 | 169.3 | -64.3 | 164.7 | 0 | 0 | 0 | 108 | S1605 F1609 Y1611 L1899 L1900 S1903 | S1605-I1607 PolarHBondContact O-N 3.02Å; S1605-I1607 VanDerWaalsContact O-N 3.12Å; I1607-F1609 HydrophobicContact CG2-CD2 4.48Å; I1607-F1609 HydrophobicContact CG2-CE1 4.42Å; I1607-F1609 HydrophobicContact CG2-CE2 4.38Å; I1607-F1609 HydrophobicContact CG2-CZ 4.34Å; I1607-F1609 WeakPolarHBondContact O-CD2 3.31Å; I1607-F1609 PolarHBondContact O-N 3.14Å; I1607-F1609 VanDerWaalsContact O-N 3.13Å; I1607-Y1611 HydrophobicContact CG2-CD2 3.72Å; I1607-Y1611 HydrophobicContact CG2-CE2 4.28Å; I1607-L1899 HydrophobicContact CD1-CD2 4.05Å; I1607-L1899 HydrophobicContact CD1-CG 3.72Å; I1607-L1899 HydrophobicContact CG1-CD2 4.27Å; I1607-L1899 HydrophobicContact CG1-CG 4.47Å; I1607-L1900 HydrophobicContact CB-CD1 4.01Å; I1607-L1900 HydrophobicContact CB-CD2 4.48Å; I1607-L1900 HydrophobicContact CB-CG 4.43Å; I1607-L1900 HydrophobicContact CD1-CD1 4.04Å; I1607-L1900 HydrophobicContact CD1-CG 4.13Å; I1607-L1900 HydrophobicContact CG1-CD1 3.75Å; I1607-L1900 HydrophobicContact CG1-CG 4.35Å; I1607-L1900 HydrophobicContact CG2-CB 4.05Å; I1607-L1900 HydrophobicContact CG2-CD1 3.75Å; I1607-L1900 VanDerWaalsContact CG2-CD1 3.47Å; I1607-L1900 HydrophobicContact CG2-CD2 3.52Å; I1607-L1900 VanDerWaalsContact CG2-CD2 3.44Å; I1607-L1900 HydrophobicContact CG2-CG 3.59Å; I1607-L1900 VanDerWaalsContact CG2-CG 3.49Å; I1607-S1903 VanDerWaalsContact CD1-OG 3.29Å; I1607-S1903 WeakPolarHBondContact CD1-OG 3.48Å | ||
| 1608 | E | 51.1 | Low | 49.2 | Very low | 54.8 Ų | 54.8 | 60.6 Ų | 60.6 | 26% | 0.256 | 31% | 0.312 | S | S | . | . | trans | -68.3 | 117.7 | 175.3 | -76.8 | 176.2 | 175.6 | 0 | 0 | 110.4 | H1606 D1610 Y1611 R1711 | H1606-E1608 PolarHBondContact O-N 3.12Å; H1606-E1608 VanDerWaalsContact O-N 3.15Å; E1608-D1610 HydrophobicContact CB-CB 4.29Å; E1608-D1610 PolarHBondContact O-N 3.22Å; E1608-D1610 VanDerWaalsContact O-N 3.09Å; E1608-Y1611 HydrophobicContact CB-CD2 3.98Å; E1608-Y1611 HydrophobicContact CB-CE2 4.04Å; E1608-Y1611 HydrophobicContact CG-CE2 4.42Å; E1608-Y1611 WeakPolarHBondContact O-CD2 3.47Å; E1608-Y1611 PolarHBondContact O-N 3.08Å; E1608-Y1611 VanDerWaalsContact O-N 3.15Å; E1608-Y1611 VanDerWaalsContact OE2-CD2 3.28Å; E1608-Y1611 WeakPolarHBondContact OE2-CD2 3.5Å; E1608-Y1611 WeakPolarHBondContact OE2-CE2 3.37Å; E1608-Y1611 PolarHBondContact OE2-OH 3.31Å; E1608-R1711 IonicContact OE1-CZ 3.07Å; E1608-R1711 VanDerWaalsContact OE1-CZ 3.26Å; E1608-R1711 IonicContact OE1-NE 3.42Å; E1608-R1711 IonicContact OE1-NH1 3.42Å; E1608-R1711 PolarHBondContact OE1-NH1 3.24Å; E1608-R1711 IonicContact OE1-NH2 3.13Å; E1608-R1711 PolarHBondContact OE1-NH2 3.07Å; E1608-R1711 IonicContact OE2-NH1 3.05Å | ||
| 1609 | F | 54.8 | Low | 47 | Very low | 25.2 Ų | 25.2 | 63.1 Ų | 63.1 | 11% | 0.111 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.8 | 170 | -76.7 | -92.4 | 0 | 0 | 0 | 112.6 | I1607 Y1611 L1612 L1613 V1791 D1795 A1798 L1855 | I1607-F1609 HydrophobicContact CG2-CD2 4.48Å; I1607-F1609 HydrophobicContact CG2-CE1 4.42Å; I1607-F1609 HydrophobicContact CG2-CE2 4.38Å; I1607-F1609 HydrophobicContact CG2-CZ 4.34Å; I1607-F1609 WeakPolarHBondContact O-CD2 3.31Å; I1607-F1609 PolarHBondContact O-N 3.14Å; I1607-F1609 VanDerWaalsContact O-N 3.13Å; F1609-Y1611 PolarHBondContact O-N 3.05Å; F1609-Y1611 VanDerWaalsContact O-N 3.12Å; F1609-L1612 HydrophobicContact CB-CD1 4.12Å; F1609-L1612 HydrophobicContact CD1-CD1 3.51Å; F1609-L1612 HydrophobicContact CD1-CG 4.37Å; F1609-L1612 HydrophobicContact CE1-CD1 4.06Å; F1609-L1612 HydrophobicContact CG-CD1 4.14Å; F1609-L1612 WeakPolarHBondContact O-CA 3.33Å; F1609-L1612 VanDerWaalsContact O-CB 3.26Å; F1609-L1612 WeakPolarHBondContact O-CB 3.29Å; F1609-L1612 WeakPolarHBondContact O-CG 3.37Å; F1609-L1612 PolarHBondContact O-N 3.21Å; F1609-L1613 PolarHBondContact O-N 3.46Å; F1609-V1791 HydrophobicContact CB-CG1 4.02Å; F1609-D1795 HydrophobicContact CB-CB 4.21Å; F1609-D1795 WeakPolarHBondContact CB-OD1 3.29Å; F1609-D1795 WeakPolarHBondContact CB-OD2 3.47Å; F1609-D1795 HydrophobicContact CD2-CB 4.02Å; F1609-D1795 VanDerWaalsContact CD2-OD1 3.26Å; F1609-D1795 WeakPolarHBondContact CD2-OD1 3.27Å; F1609-D1795 HydrophobicContact CE2-CB 4.36Å; F1609-D1795 VanDerWaalsContact CE2-OD1 3.27Å; F1609-D1795 WeakPolarHBondContact CE2-OD1 3.39Å; F1609-D1795 HydrophobicContact CG-CB 4.01Å; F1609-D1795 WeakPolarHBondContact CG-OD1 3.46Å; F1609-A1798 HydrophobicContact CZ-CB 4.37Å; F1609-L1855 HydrophobicContact CD1-CD1 4.04Å; F1609-L1855 HydrophobicContact CD1-CD2 4.45Å; F1609-L1855 HydrophobicContact CE1-CD1 3.53Å; F1609-L1855 VanDerWaalsContact CE1-CD1 3.49Å; F1609-L1855 HydrophobicContact CE1-CD2 3.49Å; F1609-L1855 HydrophobicContact CE1-CG 4.13Å; F1609-L1855 HydrophobicContact CZ-CD1 4.28Å; F1609-L1855 HydrophobicContact CZ-CD2 3.77Å; F1609-L1855 HydrophobicContact CZ-CG 4.47Å |
| 1610 | D | 47.9 | Very low | 45.2 | Very low | 43.2 Ų | 43.2 | 69 Ų | 69 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -51.8 | -35.4 | 173.3 | -124.8 | 19.9 | 0 | 0 | 0 | 112.3 | E1608 L1612 L1613 K1614 V1791 | E1608-D1610 HydrophobicContact CB-CB 4.29Å; E1608-D1610 PolarHBondContact O-N 3.22Å; E1608-D1610 VanDerWaalsContact O-N 3.09Å; D1610-L1612 VanDerWaalsContact C-N 3.31Å; D1610-L1612 PolarHBondContact O-N 2.9Å; D1610-L1613 PolarHBondContact O-N 2.91Å; D1610-K1614 VanDerWaalsContact CG-CE 3.44Å; D1610-K1614 VanDerWaalsContact O-CB 3.31Å; D1610-K1614 WeakPolarHBondContact O-CB 3.39Å; D1610-K1614 WeakPolarHBondContact O-CG 3.22Å; D1610-K1614 PolarHBondContact O-N 3.25Å; D1610-K1614 VanDerWaalsContact O-N 3.07Å; D1610-K1614 WeakPolarHBondContact OD1-CD 3.49Å; D1610-K1614 WeakPolarHBondContact OD1-CE 3.4Å; D1610-K1614 WeakPolarHBondContact OD1-CG 3.45Å; D1610-K1614 IonicContact OD1-NZ 3.07Å; D1610-K1614 PolarHBondContact OD1-NZ 3.31Å; D1610-K1614 VanDerWaalsContact OD2-CE 3.3Å; D1610-K1614 WeakPolarHBondContact OD2-CE 3.44Å; D1610-K1614 IonicContact OD2-NZ 3.06Å; D1610-K1614 PolarHBondContact OD2-NZ 3.18Å; D1610-V1791 HydrophobicContact CB-CG1 4.4Å |
| 1611 | Y | 49.2 | Very low | 44.1 | Very low | 76.4 Ų | 76.4 | 73.2 Ų | 73.2 | 30% | 0.3 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.7 | -24.1 | 176.3 | -71.3 | -73.6 | 0 | 0 | 0 | 114.1 | I1607 E1608 F1609 L1613 N1615 Y1626 N1896 Q1897 | I1607-Y1611 HydrophobicContact CG2-CD2 3.72Å; I1607-Y1611 HydrophobicContact CG2-CE2 4.28Å; E1608-Y1611 HydrophobicContact CB-CD2 3.98Å; E1608-Y1611 HydrophobicContact CB-CE2 4.04Å; E1608-Y1611 HydrophobicContact CG-CE2 4.42Å; E1608-Y1611 WeakPolarHBondContact O-CD2 3.47Å; E1608-Y1611 PolarHBondContact O-N 3.08Å; E1608-Y1611 VanDerWaalsContact O-N 3.15Å; E1608-Y1611 VanDerWaalsContact OE2-CD2 3.28Å; E1608-Y1611 WeakPolarHBondContact OE2-CD2 3.5Å; E1608-Y1611 WeakPolarHBondContact OE2-CE2 3.37Å; E1608-Y1611 PolarHBondContact OE2-OH 3.31Å; F1609-Y1611 PolarHBondContact O-N 3.05Å; F1609-Y1611 VanDerWaalsContact O-N 3.12Å; Y1611-L1613 VanDerWaalsContact C-N 3.29Å; Y1611-L1613 PolarHBondContact O-N 3.11Å; Y1611-L1613 VanDerWaalsContact O-N 3.13Å; Y1611-N1615 PolarHBondContact O-ND2 3.42Å; Y1611-Y1626 PolarHBondContact OH-OH 3.46Å; Y1611-N1896 HydrophobicContact CD1-CB 3.9Å; Y1611-N1896 WeakPolarHBondContact CD1-ND2 3.32Å; Y1611-N1896 HydrophobicContact CD2-CB 4.13Å; Y1611-N1896 HydrophobicContact CE1-CB 4.23Å; Y1611-N1896 WeakPolarHBondContact CE1-ND2 3.35Å; Y1611-N1896 HydrophobicContact CE2-CB 4.5Å; Y1611-N1896 HydrophobicContact CG-CB 3.77Å; Y1611-N1896 VanDerWaalsContact CZ-ND2 3.29Å; Y1611-Q1897 WeakPolarHBondContact O-CG 3.42Å; Y1611-Q1897 PolarHBondContact O-NE2 2.97Å; Y1611-Q1897 VanDerWaalsContact O-NE2 3.1Å |
| 1612 | L | 49.8 | Very low | 43.1 | Very low | 11.2 Ų | 11.2 | 78 Ų | 78 | 6% | 0.059 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.5 | -33.9 | 176.9 | -79.8 | 177.9 | 0 | 0 | 0 | 112.1 | F1609 D1610 L1851 L1855 Q1897 L1900 | F1609-L1612 HydrophobicContact CB-CD1 4.12Å; F1609-L1612 HydrophobicContact CD1-CD1 3.51Å; F1609-L1612 HydrophobicContact CD1-CG 4.37Å; F1609-L1612 HydrophobicContact CE1-CD1 4.06Å; F1609-L1612 HydrophobicContact CG-CD1 4.14Å; F1609-L1612 WeakPolarHBondContact O-CA 3.33Å; F1609-L1612 VanDerWaalsContact O-CB 3.26Å; F1609-L1612 WeakPolarHBondContact O-CB 3.29Å; F1609-L1612 WeakPolarHBondContact O-CG 3.37Å; F1609-L1612 PolarHBondContact O-N 3.21Å; D1610-L1612 VanDerWaalsContact C-N 3.31Å; D1610-L1612 PolarHBondContact O-N 2.9Å; L1612-L1851 HydrophobicContact CB-CD2 4.11Å; L1612-L1851 HydrophobicContact CD1-CD2 3.48Å; L1612-L1851 HydrophobicContact CD1-CG 4.22Å; L1612-L1851 HydrophobicContact CD2-CD1 4.39Å; L1612-L1851 HydrophobicContact CD2-CD2 3.19Å; L1612-L1851 HydrophobicContact CD2-CG 3.53Å; L1612-L1851 VanDerWaalsContact CD2-CG 3.5Å; L1612-L1851 HydrophobicContact CG-CD2 3.89Å; L1612-L1855 HydrophobicContact CD1-CD1 3.96Å; L1612-L1855 HydrophobicContact CD2-CD1 4.43Å; L1612-Q1897 HydrophobicContact CD2-CG 4.24Å; L1612-L1900 HydrophobicContact CB-CD2 4.21Å; L1612-L1900 HydrophobicContact CD1-CB 4.01Å; L1612-L1900 HydrophobicContact CD1-CD2 3.65Å; L1612-L1900 HydrophobicContact CD1-CG 4.2Å; L1612-L1900 HydrophobicContact CD2-CB 4.13Å; L1612-L1900 HydrophobicContact CD2-CD2 3.28Å; L1612-L1900 VanDerWaalsContact CD2-CD2 3.44Å; L1612-L1900 HydrophobicContact CD2-CG 4.37Å; L1612-L1900 HydrophobicContact CG-CB 4.36Å; L1612-L1900 HydrophobicContact CG-CD1 4.28Å; L1612-L1900 HydrophobicContact CG-CD2 3.41Å; L1612-L1900 VanDerWaalsContact CG-CD2 3.4Å; L1612-L1900 HydrophobicContact CG-CG 4.32Å |
| 1613 | L | 49 | Very low | 42.8 | Very low | 12 Ų | 12 | 77.7 Ų | 77.7 | 6% | 0.063 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -112.6 | -20.8 | -165.8 | -75.8 | -177.2 | 0 | 0 | 0 | 113.1 | F1609 D1610 Y1611 N1615 I1616 F1787 V1791 L1794 F1817 R1848 L1852 | F1609-L1613 PolarHBondContact O-N 3.46Å; D1610-L1613 PolarHBondContact O-N 2.91Å; Y1611-L1613 VanDerWaalsContact C-N 3.29Å; Y1611-L1613 PolarHBondContact O-N 3.11Å; Y1611-L1613 VanDerWaalsContact O-N 3.13Å; L1613-N1615 VanDerWaalsContact C-N 3.32Å; L1613-N1615 PolarHBondContact O-N 2.98Å; L1613-N1615 VanDerWaalsContact O-N 3.12Å; L1613-I1616 HydrophobicContact CB-CD1 4.18Å; L1613-I1616 HydrophobicContact CD2-CD1 3.5Å; L1613-I1616 HydrophobicContact CG-CD1 4.46Å; L1613-I1616 WeakPolarHBondContact O-CB 3.46Å; L1613-I1616 WeakPolarHBondContact O-CD1 3.34Å; L1613-I1616 WeakPolarHBondContact O-CG1 3.16Å; L1613-I1616 PolarHBondContact O-N 2.94Å; L1613-F1787 HydrophobicContact CB-CE1 3.6Å; L1613-F1787 VanDerWaalsContact CB-CE1 3.47Å; L1613-F1787 HydrophobicContact CB-CE2 4.43Å; L1613-F1787 HydrophobicContact CB-CZ 3.4Å; L1613-F1787 VanDerWaalsContact CB-CZ 3.43Å; L1613-F1787 HydrophobicContact CD1-CD1 4.39Å; L1613-F1787 HydrophobicContact CD1-CE1 4.1Å; L1613-F1787 HydrophobicContact CD1-CE2 4.19Å; L1613-F1787 HydrophobicContact CD1-CZ 4.04Å; L1613-F1787 HydrophobicContact CD2-CE2 4.31Å; L1613-F1787 HydrophobicContact CD2-CZ 3.83Å; L1613-F1787 HydrophobicContact CG-CE1 4.24Å; L1613-F1787 HydrophobicContact CG-CZ 3.91Å; L1613-F1787 WeakPolarHBondContact O-CZ 3.17Å; L1613-V1791 HydrophobicContact CB-CG1 4.03Å; L1613-V1791 HydrophobicContact CB-CG2 3.95Å; L1613-V1791 HydrophobicContact CD1-CB 4.26Å; L1613-V1791 HydrophobicContact CD1-CG1 4.19Å; L1613-V1791 HydrophobicContact CD1-CG2 3.37Å; L1613-V1791 VanDerWaalsContact CD1-CG2 3.44Å; L1613-V1791 HydrophobicContact CG-CG1 4.45Å; L1613-V1791 HydrophobicContact CG-CG2 4.17Å; L1613-L1794 HydrophobicContact CD1-CD1 3.97Å; L1613-F1817 HydrophobicContact CD1-CE2 4.24Å; L1613-F1817 HydrophobicContact CD1-CZ 4Å; L1613-F1817 HydrophobicContact CD2-CE1 4.49Å; L1613-F1817 HydrophobicContact CD2-CE2 3.98Å; L1613-F1817 HydrophobicContact CD2-CZ 3.48Å; L1613-F1817 VanDerWaalsContact CD2-CZ 3.43Å; L1613-F1817 HydrophobicContact CG-CZ 4.24Å; L1613-R1848 HydrophobicContact CD2-CG 4.33Å; L1613-R1848 PolarHBondContact O-NH2 3.12Å; L1613-L1852 HydrophobicContact CD2-CD1 4.39Å; L1613-L1852 HydrophobicContact CD2-CD2 4.26Å |
| 1614 | K | 45.4 | Very low | 42.8 | Very low | 66.4 Ų | 66.4 | 76.7 Ų | 76.7 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 30.3 | 174.3 | -88.7 | -180 | 173.1 | 174.2 | 0 | 114.8 | D1610 I1616 L1618 E1620 | D1610-K1614 VanDerWaalsContact CG-CE 3.44Å; D1610-K1614 VanDerWaalsContact O-CB 3.31Å; D1610-K1614 WeakPolarHBondContact O-CB 3.39Å; D1610-K1614 WeakPolarHBondContact O-CG 3.22Å; D1610-K1614 PolarHBondContact O-N 3.25Å; D1610-K1614 VanDerWaalsContact O-N 3.07Å; D1610-K1614 WeakPolarHBondContact OD1-CD 3.49Å; D1610-K1614 WeakPolarHBondContact OD1-CE 3.4Å; D1610-K1614 WeakPolarHBondContact OD1-CG 3.45Å; D1610-K1614 IonicContact OD1-NZ 3.07Å; D1610-K1614 PolarHBondContact OD1-NZ 3.31Å; D1610-K1614 VanDerWaalsContact OD2-CE 3.3Å; D1610-K1614 WeakPolarHBondContact OD2-CE 3.44Å; D1610-K1614 IonicContact OD2-NZ 3.06Å; D1610-K1614 PolarHBondContact OD2-NZ 3.18Å; K1614-I1616 VanDerWaalsContact C-N 3.32Å; K1614-I1616 PolarHBondContact O-N 3.36Å; K1614-I1616 VanDerWaalsContact O-O 3.1Å; K1614-L1618 HydrophobicContact CG-CD1 4.39Å; K1614-E1620 IonicContact NZ-OE2 3.85Å; K1614-E1620 PolarHBondContact NZ-OE2 3.04Å |
| 1615 | N | 41.3 | Very low | 43 | Very low | 50.8 Ų | 50.8 | 81 Ų | 81 | 27% | 0.272 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 5.4 | 161.6 | -76.2 | -12.4 | 0 | 0 | 0 | 113.1 | Y1611 L1613 N1617 D1844 I1893 Q1897 | Y1611-N1615 PolarHBondContact O-ND2 3.42Å; L1613-N1615 VanDerWaalsContact C-N 3.32Å; L1613-N1615 PolarHBondContact O-N 2.98Å; L1613-N1615 VanDerWaalsContact O-N 3.12Å; N1615-N1617 PolarHBondContact O-N 3.14Å; N1615-D1844 WeakPolarHBondContact CB-OD2 3.47Å; N1615-D1844 PolarHBondContact ND2-OD1 3.04Å; N1615-D1844 PolarHBondContact ND2-OD2 3.17Å; N1615-D1844 VanDerWaalsContact ND2-OD2 3.08Å; N1615-I1893 HydrophobicContact CB-CG2 4.21Å; N1615-I1893 WeakPolarHBondContact OD1-CG2 3.47Å; N1615-Q1897 PolarHBondContact OD1-NE2 2.89Å |
| 1616 | I | 38.3 | Very low | 43.5 | Very low | 66.4 Ų | 66.4 | 83.3 Ų | 83.3 | 34% | 0.341 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -71.2 | 118 | 164.5 | -59.4 | 173.6 | 0 | 0 | 0 | 107.1 | L1613 K1614 L1618 F1787 F1817 | L1613-I1616 HydrophobicContact CB-CD1 4.18Å; L1613-I1616 HydrophobicContact CD2-CD1 3.5Å; L1613-I1616 HydrophobicContact CG-CD1 4.46Å; L1613-I1616 WeakPolarHBondContact O-CB 3.46Å; L1613-I1616 WeakPolarHBondContact O-CD1 3.34Å; L1613-I1616 WeakPolarHBondContact O-CG1 3.16Å; L1613-I1616 PolarHBondContact O-N 2.94Å; K1614-I1616 VanDerWaalsContact C-N 3.32Å; K1614-I1616 PolarHBondContact O-N 3.36Å; K1614-I1616 VanDerWaalsContact O-O 3.1Å; I1616-L1618 HydrophobicContact CB-CG 4.33Å; I1616-L1618 HydrophobicContact CG2-CD1 4.42Å; I1616-L1618 HydrophobicContact CG2-CD2 4.29Å; I1616-L1618 HydrophobicContact CG2-CG 4.12Å; I1616-L1618 PolarHBondContact O-N 3.14Å; I1616-F1787 HydrophobicContact CD1-CD1 4.09Å; I1616-F1787 HydrophobicContact CD1-CD2 4.04Å; I1616-F1787 HydrophobicContact CD1-CE1 3.79Å; I1616-F1787 HydrophobicContact CD1-CE2 3.75Å; I1616-F1787 HydrophobicContact CD1-CG 4.17Å; I1616-F1787 HydrophobicContact CD1-CZ 3.59Å; I1616-F1787 HydrophobicContact CG1-CZ 4.46Å; I1616-F1817 HydrophobicContact CD1-CE1 3.98Å; I1616-F1817 HydrophobicContact CD1-CZ 4.38Å; I1616-F1817 HydrophobicContact CG1-CE1 4.3Å |
| 1617 | N | 34 | Very low | 44.6 | Very low | 159 Ų | 159 | 81.4 Ų | 81.4 | 85% | 0.85 | 41% | 0.411 | S | S | * | . | trans | -70.6 | 57.2 | 175.3 | -75.7 | -34.3 | 0 | 0 | 0 | 112.8 | N1615 Q1619 | N1615-N1617 PolarHBondContact O-N 3.14Å; N1617-Q1619 VanDerWaalsContact C-N 3.27Å; N1617-Q1619 PolarHBondContact O-N 3.15Å | ||
| 1618 | L | 38.1 | Very low | 45.5 | Very low | 58.2 Ų | 58.2 | 83.1 Ų | 83.1 | 31% | 0.305 | 42% | 0.424 | S | S | . | . | trans | -90.4 | 76.8 | 170.9 | -65.9 | 172.9 | 0 | 0 | 0 | 106 | K1614 I1616 E1620 K1784 | K1614-L1618 HydrophobicContact CG-CD1 4.39Å; I1616-L1618 HydrophobicContact CB-CG 4.33Å; I1616-L1618 HydrophobicContact CG2-CD1 4.42Å; I1616-L1618 HydrophobicContact CG2-CD2 4.29Å; I1616-L1618 HydrophobicContact CG2-CG 4.12Å; I1616-L1618 PolarHBondContact O-N 3.14Å; L1618-E1620 VanDerWaalsContact C-N 3.3Å; L1618-E1620 HydrophobicContact CD2-CG 4.44Å; L1618-E1620 PolarHBondContact O-N 3.02Å; L1618-K1784 HydrophobicContact CD1-CD 3.9Å; L1618-K1784 HydrophobicContact CD1-CG 4.13Å; L1618-K1784 HydrophobicContact CD2-CB 3.8Å; L1618-K1784 HydrophobicContact CD2-CD 3.61Å; L1618-K1784 VanDerWaalsContact CD2-CD 3.46Å; L1618-K1784 HydrophobicContact CD2-CG 3.81Å | ||
| 1619 | Q | 31.7 | Very low | 46.6 | Very low | 160.2 Ų | 160.2 | 82.5 Ų | 82.5 | 75% | 0.749 | 42% | 0.419 | S | S | * | . | trans | -59.5 | 99.6 | 161.2 | -102.4 | 178.1 | -51.3 | 0 | 0 | 106.8 | N1617 D1621 | N1617-Q1619 VanDerWaalsContact C-N 3.27Å; N1617-Q1619 PolarHBondContact O-N 3.15Å; Q1619-D1621 WeakPolarHBondContact CG-OD1 3.44Å; Q1619-D1621 PolarHBondContact NE2-OD1 3.05Å; Q1619-D1621 PolarHBondContact O-N 3.11Å | ||
| 1620 | E | 36.3 | Very low | 47.7 | Very low | 126.6 Ų | 126.6 | 84.6 Ų | 84.6 | 59% | 0.592 | 43% | 0.429 | S | S | * | . | trans | -80.7 | 108.2 | 155.5 | -73 | 178 | 169.5 | 0 | 0 | 104.9 | K1614 L1618 H1622 K1784 | K1614-E1620 IonicContact NZ-OE2 3.85Å; K1614-E1620 PolarHBondContact NZ-OE2 3.04Å; L1618-E1620 VanDerWaalsContact C-N 3.3Å; L1618-E1620 HydrophobicContact CD2-CG 4.44Å; L1618-E1620 PolarHBondContact O-N 3.02Å; E1620-H1622 PolarHBondContact O-N 3.15Å; E1620-H1622 VanDerWaalsContact O-N 3.09Å; E1620-K1784 IonicContact OE1-NZ 3.37Å; E1620-K1784 PolarHBondContact OE1-NZ 3.36Å | ||
| 1621 | D | 37 | Very low | 49 | Very low | 125.8 Ų | 125.8 | 86.5 Ų | 86.5 | 67% | 0.673 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -67.4 | 3.3 | -174.2 | -82.9 | -33.9 | 0 | 0 | 0 | 113.8 | Q1619 | Q1619-D1621 WeakPolarHBondContact CG-OD1 3.44Å; Q1619-D1621 PolarHBondContact NE2-OD1 3.05Å; Q1619-D1621 PolarHBondContact O-N 3.11Å |
| 1622 | H | 34 | Very low | 50.6 | Low | 154.6 Ų | 154.6 | 84.1 Ų | 84.1 | 72% | 0.716 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -135.9 | 127.4 | 176.3 | -64.8 | -54.2 | 0 | 0 | 0 | 110.9 | E1620 P1624 | E1620-H1622 PolarHBondContact O-N 3.15Å; E1620-H1622 VanDerWaalsContact O-N 3.09Å; H1622-P1624 VanDerWaalsContact O-CD 3.28Å; H1622-P1624 WeakPolarHBondContact O-CD 3.4Å; H1622-P1624 VanDerWaalsContact O-N 3.16Å |
| 1623 | P | 40 | Very low | 52.4 | Low | 115 Ų | 115 | 83.8 Ų | 83.8 | 75% | 0.747 | 43% | 0.433 | S | S | * | . | trans | -63 | 122.4 | 166.4 | 26.5 | -30 | 0 | 0 | 0 | 107.4 | S1625 | P1623-S1625 PolarHBondContact O-N 3.19Š| ||
| 1624 | P | 46.2 | Very low | 54.1 | Low | 54.2 Ų | 54.2 | 84.4 Ų | 84.4 | 35% | 0.352 | 44% | 0.437 | S | S | . | . | trans | -59.2 | 136.7 | 177.7 | 24.2 | -31.5 | 0 | 0 | 0 | 108.5 | H1622 Y1626 | H1622-P1624 VanDerWaalsContact O-CD 3.28Å; H1622-P1624 WeakPolarHBondContact O-CD 3.4Å; H1622-P1624 VanDerWaalsContact O-N 3.16Å; P1624-Y1626 VanDerWaalsContact C-N 3.3Å; P1624-Y1626 HydrophobicContact CB-CE1 4.41Å; P1624-Y1626 HydrophobicContact CG-CD1 4.28Å; P1624-Y1626 HydrophobicContact CG-CD2 4.45Å; P1624-Y1626 HydrophobicContact CG-CE1 3.85Å; P1624-Y1626 HydrophobicContact CG-CE2 4.04Å; P1624-Y1626 VanDerWaalsContact CG-CZ 3.44Å; P1624-Y1626 WeakPolarHBondContact CG-OH 3.27Å; P1624-Y1626 VanDerWaalsContact O-CD2 3.31Å; P1624-Y1626 WeakPolarHBondContact O-CD2 3.2Å; P1624-Y1626 WeakPolarHBondContact O-CE2 3.46Å; P1624-Y1626 PolarHBondContact O-N 3.05Å | ||
| 1625 | S | 43.8 | Very low | 56 | Low | 111 Ų | 111 | 82.6 Ų | 82.6 | 78% | 0.776 | 43% | 0.431 | S | S | * | . | trans | -66.8 | 96.8 | 174.3 | -164.4 | 0 | 0 | 0 | 0 | 107.8 | P1623 R1627 | P1623-S1625 PolarHBondContact O-N 3.19Å; S1625-R1627 WeakPolarHBondContact O-CG 3.38Å; S1625-R1627 PolarHBondContact O-N 3.05Å | ||
| 1626 | Y | 54.8 | Low | 58.2 | Low | 124.8 Ų | 124.8 | 80.2 Ų | 80.2 | 49% | 0.489 | 42% | 0.418 | S | S | . | . | trans | -66.1 | 112.6 | -179 | -67.8 | -74.4 | 0 | 0 | 0 | 110.6 | E1598 S1600 Y1611 P1624 | E1598-Y1626 WeakPolarHBondContact O-CD1 3.38Å; E1598-Y1626 WeakPolarHBondContact O-CE1 3.38Å; S1600-Y1626 VanDerWaalsContact OG-CB 3.28Å; S1600-Y1626 WeakPolarHBondContact OG-CB 3.28Å; S1600-Y1626 WeakPolarHBondContact OG-CD1 3.23Å; S1600-Y1626 WeakPolarHBondContact OG-CE1 3.23Å; S1600-Y1626 VanDerWaalsContact OG-CG 3.25Å; Y1611-Y1626 PolarHBondContact OH-OH 3.46Å; P1624-Y1626 VanDerWaalsContact C-N 3.3Å; P1624-Y1626 HydrophobicContact CB-CE1 4.41Å; P1624-Y1626 HydrophobicContact CG-CD1 4.28Å; P1624-Y1626 HydrophobicContact CG-CD2 4.45Å; P1624-Y1626 HydrophobicContact CG-CE1 3.85Å; P1624-Y1626 HydrophobicContact CG-CE2 4.04Å; P1624-Y1626 VanDerWaalsContact CG-CZ 3.44Å; P1624-Y1626 WeakPolarHBondContact CG-OH 3.27Å; P1624-Y1626 VanDerWaalsContact O-CD2 3.31Å; P1624-Y1626 WeakPolarHBondContact O-CD2 3.2Å; P1624-Y1626 WeakPolarHBondContact O-CE2 3.46Å; P1624-Y1626 PolarHBondContact O-N 3.05Å | ||
| 1627 | R | 64.3 | Low | 60.7 | Low | 86 Ų | 86 | 77.1 Ų | 77.1 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 141.4 | 166 | -85.6 | -168 | -170.9 | -159.2 | 5 | 109.8 | I1516 T1517 N1518 E1519 V1520 E1595 E1598 S1599 S1600 S1625 W1629 | I1516-R1627 PolarHBondContact O-NH1 2.73Å; T1517-R1627 PolarHBondContact O-NH1 3.16Å; T1517-R1627 PolarHBondContact O-NH2 3.32Å; N1518-R1627 PolarHBondContact OD1-NH1 2.9Å; E1519-R1627 PolarHBondContact O-NH2 3.11Å; V1520-R1627 VanDerWaalsContact C-NH2 3.29Å; V1520-R1627 VanDerWaalsContact CA-NH2 3.31Å; V1520-R1627 PolarHBondContact O-NH2 3.34Å; E1595-R1627 VanDerWaalsContact CD-NH1 3.34Å; E1595-R1627 VanDerWaalsContact OE1-CB 3.29Å; E1595-R1627 WeakPolarHBondContact OE1-CB 3.24Å; E1595-R1627 WeakPolarHBondContact OE1-CD 3.48Å; E1595-R1627 WeakPolarHBondContact OE1-CG 3.36Å; E1595-R1627 IonicContact OE1-CZ 2.76Å; E1595-R1627 IonicContact OE1-NE 3.26Å; E1595-R1627 PolarHBondContact OE1-NE 3.47Å; E1595-R1627 IonicContact OE1-NH1 3.04Å; E1595-R1627 PolarHBondContact OE1-NH1 3.19Å; E1595-R1627 IonicContact OE2-CZ 3.78Å; E1595-R1627 IonicContact OE2-NE 2.9Å; E1595-R1627 IonicContact OE2-NH1 3.91Å; E1595-R1627 PolarHBondContact OE2-NH1 3.18Å; E1598-R1627 IonicContact OE2-NE 3.31Å; S1599-R1627 WeakPolarHBondContact CA-O 3.32Å; S1600-R1627 PolarHBondContact N-O 2.99Å; S1600-R1627 VanDerWaalsContact N-O 3.13Å; S1625-R1627 WeakPolarHBondContact O-CG 3.38Å; S1625-R1627 PolarHBondContact O-N 3.05Å; R1627-W1629 PolarHBondContact O-N 3.44Å |
| 1628 | P | 68.5 | Low | 63.3 | Low | 62.6 Ų | 62.6 | 70.3 Ų | 70.3 | 41% | 0.406 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -68 | 134.5 | 179.1 | 27.4 | -33.4 | 0 | 0 | 0 | 110.5 | E1602 Q1630 | E1602-P1628 HydrophobicContact CG-CB 4.2Å; P1628-Q1630 PolarHBondContact O-N 3.29Å; P1628-Q1630 PolarHBondContact O-NE2 3.14Å; P1628-Q1630 VanDerWaalsContact O-NE2 3.16Å |
| 1629 | W | 73.7 | Confident | 65.8 | Low | 43.8 Ų | 43.8 | 67.6 Ų | 67.6 | 17% | 0.166 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 127.3 | 173.3 | 178 | -88.8 | 0 | 0 | 0 | 111.5 | V1596 S1599 S1600 H1601 R1627 F1633 P1634 R1711 | V1596-W1629 HydrophobicContact CG1-CH2 4.15Å; V1596-W1629 HydrophobicContact CG1-CZ3 3.92Å; S1599-W1629 VanDerWaalsContact OG-CE3 3.25Å; S1600-W1629 VanDerWaalsContact O-CB 3.29Å; S1600-W1629 WeakPolarHBondContact O-CB 3.34Å; S1600-W1629 PolarHBondContact O-N 3.34Å; S1600-W1629 VanDerWaalsContact O-N 3.13Å; H1601-W1629 AromaticContact CE1-CD1 3.74Å; H1601-W1629 AromaticContact CE1-CD2 3.29Å; H1601-W1629 AromaticContact CE1-CE2 3.25Å; H1601-W1629 AromaticContact CE1-CE3 3.68Å; H1601-W1629 VanDerWaalsContact CE1-CE3 3.47Å; H1601-W1629 AromaticContact CE1-CG 3.7Å; H1601-W1629 VanDerWaalsContact CE1-CG 3.47Å; H1601-W1629 AromaticContact CE1-CH2 3.72Å; H1601-W1629 AromaticContact CE1-CZ2 3.6Å; H1601-W1629 WeakPolarHBondContact CE1-CZ2 3.48Å; H1601-W1629 AromaticContact CE1-CZ3 3.76Å; H1601-W1629 AromaticContact CE1-NE1 3.45Å; H1601-W1629 PolarHBondContact CE1-NE1 3.1Å; H1601-W1629 AromaticContact ND1-CD1 3.54Å; H1601-W1629 AromaticContact ND1-CD2 3.57Å; H1601-W1629 VanDerWaalsContact ND1-CD2 3.34Å; H1601-W1629 AromaticContact ND1-CE2 3.76Å; H1601-W1629 AromaticContact ND1-CE3 3.85Å; H1601-W1629 AromaticContact ND1-CG 3.47Å; H1601-W1629 AromaticContact ND1-NE1 3.73Å; H1601-W1629 AromaticContact NE2-CD2 3.75Å; H1601-W1629 AromaticContact NE2-CE2 3.78Å; H1601-W1629 AromaticContact NE2-CE3 3.71Å; H1601-W1629 AromaticContact NE2-CH2 3.79Å; H1601-W1629 AromaticContact NE2-CZ2 3.76Å; H1601-W1629 AromaticContact NE2-CZ3 3.74Å; R1627-W1629 PolarHBondContact O-N 3.44Å; W1629-F1633 HydrophobicContact CD2-CD2 4.24Å; W1629-F1633 AromaticContact CE3-CD2 3.8Å; W1629-F1633 HydrophobicContact CE3-CD2 4.14Å; W1629-F1633 HydrophobicContact CH2-CB 4.29Å; W1629-F1633 HydrophobicContact CH2-CD2 4.47Å; W1629-F1633 HydrophobicContact CZ2-CB 4.21Å; W1629-F1633 HydrophobicContact CZ3-CB 4.41Å; W1629-F1633 HydrophobicContact CZ3-CD2 4.25Å; W1629-P1634 HydrophobicContact CH2-CG 4.23Å; W1629-P1634 HydrophobicContact CZ2-CG 3.63Å; W1629-P1634 VanDerWaalsContact CZ2-CG 3.49Å; W1629-R1711 HydrophobicContact CH2-CB 4.45Å; W1629-R1711 HydrophobicContact CZ3-CB 4.4Å |
| 1630 | Q | 78.8 | Confident | 68.6 | Low | 68.8 Ų | 68.8 | 59.9 Ų | 59.9 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 138.1 | 175.4 | -60.6 | -64.2 | -45.3 | 0 | 0 | 111 | P1628 W1632 F1633 | P1628-Q1630 PolarHBondContact O-N 3.29Å; P1628-Q1630 PolarHBondContact O-NE2 3.14Å; P1628-Q1630 VanDerWaalsContact O-NE2 3.16Å; Q1630-W1632 HydrophobicContact CB-CG 4.44Å; Q1630-W1632 PolarHBondContact O-N 3.15Å; Q1630-F1633 HydrophobicContact CB-CD1 3.71Å; Q1630-F1633 HydrophobicContact CB-CD2 4.14Å; Q1630-F1633 HydrophobicContact CB-CE1 3.57Å; Q1630-F1633 HydrophobicContact CB-CE2 4.01Å; Q1630-F1633 HydrophobicContact CB-CG 4Å; Q1630-F1633 HydrophobicContact CB-CZ 3.73Å; Q1630-F1633 HydrophobicContact CG-CD1 4.33Å; Q1630-F1633 HydrophobicContact CG-CE1 3.66Å; Q1630-F1633 HydrophobicContact CG-CE2 4.06Å; Q1630-F1633 HydrophobicContact CG-CZ 3.51Å; Q1630-F1633 VanDerWaalsContact CG-CZ 3.48Å; Q1630-F1633 VanDerWaalsContact N-CE2 3.35Å; Q1630-F1633 WeakPolarHBondContact O-CB 3.32Å; Q1630-F1633 WeakPolarHBondContact O-CG 3.47Å; Q1630-F1633 PolarHBondContact O-N 3.05Å; Q1630-F1633 VanDerWaalsContact O-N 3.08Å |
| 1631 | P | 75 | Confident | 71.3 | Confident | 82.4 Ų | 82.4 | 53.9 Ų | 53.9 | 54% | 0.535 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.2 | -179.4 | -6.2 | 7.3 | 0 | 0 | 0 | 114.6 | P1634 | P1631-P1634 WeakPolarHBondContact O-CD 3.31Š|
| 1632 | W | 82.9 | Confident | 73.7 | Confident | 25.4 Ų | 25.4 | 49 Ų | 49 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -5.8 | -178.4 | 70 | -94 | 0 | 0 | 0 | 114.6 | I1516 L1522 Y1524 W1527 Q1630 P1634 L1635 S1636 | I1516-W1632 HydrophobicContact CD1-CH2 3.93Å; I1516-W1632 HydrophobicContact CD1-CZ3 4.17Å; I1516-W1632 HydrophobicContact CG1-CH2 4.2Å; L1522-W1632 HydrophobicContact CB-CZ2 4.18Å; L1522-W1632 HydrophobicContact CD2-CH2 3.97Å; L1522-W1632 HydrophobicContact CD2-CZ2 4.14Å; L1522-W1632 HydrophobicContact CG-CZ2 4.39Å; L1522-W1632 PolarHBondContact O-NE1 3.15Å; L1522-W1632 VanDerWaalsContact O-NE1 3.11Å; Y1524-W1632 AromaticContact CD2-CE3 3.95Å; Y1524-W1632 HydrophobicContact CD2-CE3 4.18Å; Y1524-W1632 HydrophobicContact CD2-CZ3 4.48Å; Y1524-W1632 HydrophobicContact CG-CE3 4.36Å; W1527-W1632 HydrophobicContact CB-CH2 4.18Å; W1527-W1632 HydrophobicContact CB-CZ3 4.23Å; W1527-W1632 HydrophobicContact CD2-CH2 4.38Å; W1527-W1632 AromaticContact CD2-CZ3 3.85Å; W1527-W1632 HydrophobicContact CD2-CZ3 4.05Å; W1527-W1632 AromaticContact CE3-CZ3 3.91Å; W1527-W1632 HydrophobicContact CE3-CZ3 4.1Å; W1527-W1632 AromaticContact CG-CH2 3.88Å; W1527-W1632 HydrophobicContact CG-CH2 4.14Å; W1527-W1632 AromaticContact CG-CZ3 3.84Å; W1527-W1632 HydrophobicContact CG-CZ3 4.1Å; Q1630-W1632 HydrophobicContact CB-CG 4.44Å; Q1630-W1632 PolarHBondContact O-N 3.15Å; W1632-P1634 VanDerWaalsContact C-CD 3.46Å; W1632-L1635 HydrophobicContact CB-CD1 4.23Å; W1632-L1635 WeakPolarHBondContact O-CA 3.24Å; W1632-L1635 VanDerWaalsContact O-CB 3.28Å; W1632-L1635 WeakPolarHBondContact O-CB 3.33Å; W1632-L1635 PolarHBondContact O-N 3.08Å; W1632-S1636 PolarHBondContact O-N 3.02Å; W1632-S1636 VanDerWaalsContact O-N 3.16Å |
| 1633 | F | 86.4 | Confident | 76.5 | Confident | 5.8 Ų | 5.8 | 41.6 Ų | 41.6 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.8 | -40.4 | 176 | -74.5 | -8.4 | 0 | 0 | 0 | 114 | I1516 E1595 V1596 W1629 Q1630 L1635 S1636 V1637 | I1516-F1633 HydrophobicContact CD1-CD1 4.44Å; I1516-F1633 HydrophobicContact CD1-CE1 4.15Å; E1595-F1633 HydrophobicContact CG-CE1 4.45Å; E1595-F1633 HydrophobicContact CG-CE2 4.4Å; E1595-F1633 HydrophobicContact CG-CZ 4.02Å; V1596-F1633 HydrophobicContact CG2-CB 3.83Å; V1596-F1633 HydrophobicContact CG2-CD1 4.46Å; V1596-F1633 HydrophobicContact CG2-CD2 4.23Å; V1596-F1633 HydrophobicContact CG2-CG 4.01Å; W1629-F1633 HydrophobicContact CD2-CD2 4.24Å; W1629-F1633 AromaticContact CE3-CD2 3.8Å; W1629-F1633 HydrophobicContact CE3-CD2 4.14Å; W1629-F1633 HydrophobicContact CH2-CB 4.29Å; W1629-F1633 HydrophobicContact CH2-CD2 4.47Å; W1629-F1633 HydrophobicContact CZ2-CB 4.21Å; W1629-F1633 HydrophobicContact CZ3-CB 4.41Å; W1629-F1633 HydrophobicContact CZ3-CD2 4.25Å; Q1630-F1633 HydrophobicContact CB-CD1 3.71Å; Q1630-F1633 HydrophobicContact CB-CD2 4.14Å; Q1630-F1633 HydrophobicContact CB-CE1 3.57Å; Q1630-F1633 HydrophobicContact CB-CE2 4.01Å; Q1630-F1633 HydrophobicContact CB-CG 4Å; Q1630-F1633 HydrophobicContact CB-CZ 3.73Å; Q1630-F1633 HydrophobicContact CG-CD1 4.33Å; Q1630-F1633 HydrophobicContact CG-CE1 3.66Å; Q1630-F1633 HydrophobicContact CG-CE2 4.06Å; Q1630-F1633 HydrophobicContact CG-CZ 3.51Å; Q1630-F1633 VanDerWaalsContact CG-CZ 3.48Å; Q1630-F1633 VanDerWaalsContact N-CE2 3.35Å; Q1630-F1633 WeakPolarHBondContact O-CB 3.32Å; Q1630-F1633 WeakPolarHBondContact O-CG 3.47Å; Q1630-F1633 PolarHBondContact O-N 3.05Å; Q1630-F1633 VanDerWaalsContact O-N 3.08Å; F1633-L1635 PolarHBondContact O-N 3.01Å; F1633-S1636 WeakPolarHBondContact CA-OG 3.24Å; F1633-S1636 PolarHBondContact O-N 3.12Å; F1633-S1636 VanDerWaalsContact O-N 3.12Å; F1633-S1636 PolarHBondContact O-OG 3.13Å; F1633-V1637 WeakPolarHBondContact O-CG2 3.37Å; F1633-V1637 PolarHBondContact O-N 3.17Å; F1633-V1637 VanDerWaalsContact O-N 3.08Å |
| 1634 | P | 85.1 | Confident | 78.9 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.9 | -33.7 | 173 | -28.9 | 38.7 | 0 | 0 | 0 | 113.9 | W1629 P1631 W1632 Q1638 C1712 A2013 | W1629-P1634 HydrophobicContact CH2-CG 4.23Å; W1629-P1634 HydrophobicContact CZ2-CG 3.63Å; W1629-P1634 VanDerWaalsContact CZ2-CG 3.49Å; P1631-P1634 WeakPolarHBondContact O-CD 3.31Å; W1632-P1634 VanDerWaalsContact C-CD 3.46Å; P1634-Q1638 VanDerWaalsContact O-CB 3.25Å; P1634-Q1638 WeakPolarHBondContact O-CB 3.36Å; P1634-Q1638 PolarHBondContact O-N 3.24Å; P1634-C1712 HydrophobicContact CB-CB 4.43Å; P1634-A2013 HydrophobicContact CB-CB 3.57Å; P1634-A2013 VanDerWaalsContact CB-CB 3.43Å |
| 1635 | L | 85.7 | Confident | 81 | Confident | 28.8 Ų | 28.8 | 36.4 Ų | 36.4 | 15% | 0.151 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71 | -40.2 | 178.3 | -63 | 167.7 | 0 | 0 | 0 | 111.3 | T1361 Y1524 W1632 F1633 Q1638 T1639 G2012 A2013 L2016 | T1361-L1635 WeakPolarHBondContact O-CD2 3.49Å; Y1524-L1635 HydrophobicContact CD1-CD1 4.39Å; Y1524-L1635 HydrophobicContact CD2-CB 3.68Å; Y1524-L1635 HydrophobicContact CE2-CB 3.69Å; Y1524-L1635 VanDerWaalsContact CE2-CB 3.49Å; Y1524-L1635 HydrophobicContact CG-CB 4.15Å; Y1524-L1635 HydrophobicContact CG-CD1 4.27Å; W1632-L1635 HydrophobicContact CB-CD1 4.23Å; W1632-L1635 WeakPolarHBondContact O-CA 3.24Å; W1632-L1635 VanDerWaalsContact O-CB 3.28Å; W1632-L1635 WeakPolarHBondContact O-CB 3.33Å; W1632-L1635 PolarHBondContact O-N 3.08Å; F1633-L1635 PolarHBondContact O-N 3.01Å; L1635-Q1638 PolarHBondContact O-N 3.2Å; L1635-T1639 WeakPolarHBondContact O-CB 3.45Å; L1635-T1639 WeakPolarHBondContact O-CG2 3.41Å; L1635-T1639 PolarHBondContact O-N 3.11Å; L1635-T1639 PolarHBondContact O-OG1 3.02Å; L1635-T1639 VanDerWaalsContact O-OG1 3.05Å; L1635-G2012 VanDerWaalsContact CD2-C 3.47Å; L1635-G2012 WeakPolarHBondContact CD2-O 3.41Å; L1635-A2013 HydrophobicContact CD2-CB 4.14Å; L1635-L2016 HydrophobicContact CB-CD1 4.15Å; L1635-L2016 HydrophobicContact CD2-CD1 3.61Å; L1635-L2016 HydrophobicContact CD2-CG 4.23Å; L1635-L2016 HydrophobicContact CG-CD1 4.47Å |
| 1636 | S | 88.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.5 | -45.5 | 178.2 | 62.1 | 0 | 0 | 0 | 0 | 111.7 | V1592 W1632 F1633 Q1638 T1639 I1640 | V1592-S1636 WeakPolarHBondContact CG1-OG 3.34Å; W1632-S1636 PolarHBondContact O-N 3.02Å; W1632-S1636 VanDerWaalsContact O-N 3.16Å; F1633-S1636 WeakPolarHBondContact CA-OG 3.24Å; F1633-S1636 PolarHBondContact O-N 3.12Å; F1633-S1636 VanDerWaalsContact O-N 3.12Å; F1633-S1636 PolarHBondContact O-OG 3.13Å; S1636-Q1638 VanDerWaalsContact C-N 3.32Å; S1636-Q1638 PolarHBondContact O-N 3.18Å; S1636-T1639 WeakPolarHBondContact CA-OG1 3.28Å; S1636-T1639 WeakPolarHBondContact O-CB 3.18Å; S1636-T1639 PolarHBondContact O-N 3.23Å; S1636-T1639 VanDerWaalsContact O-N 3.14Å; S1636-T1639 PolarHBondContact O-OG1 3.25Å; S1636-I1640 WeakPolarHBondContact O-CG1 3.29Å; S1636-I1640 PolarHBondContact O-N 2.99Å |
| 1637 | V | 89.1 | Confident | 84.9 | Confident | 0.6 Ų | 0.6 | 25.8 Ų | 25.8 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 174.8 | 170 | 0 | 0 | 0 | 0 | 111.1 | V1592 F1593 V1596 F1633 T1639 I1640 F1641 A1708 C1712 | V1592-V1637 HydrophobicContact CG1-CG2 4.12Å; F1593-V1637 HydrophobicContact CD1-CG2 4.37Å; F1593-V1637 HydrophobicContact CE1-CG1 4.23Å; V1596-V1637 HydrophobicContact CB-CG2 4.09Å; V1596-V1637 HydrophobicContact CG1-CG2 4.07Å; V1596-V1637 HydrophobicContact CG2-CG2 3.59Å; F1633-V1637 WeakPolarHBondContact O-CG2 3.37Å; F1633-V1637 PolarHBondContact O-N 3.17Å; F1633-V1637 VanDerWaalsContact O-N 3.08Å; V1637-T1639 VanDerWaalsContact C-N 3.3Å; V1637-T1639 PolarHBondContact O-N 3.25Å; V1637-I1640 WeakPolarHBondContact O-CB 3.39Å; V1637-I1640 PolarHBondContact O-N 3.14Å; V1637-F1641 HydrophobicContact CG1-CD2 3.62Å; V1637-F1641 HydrophobicContact CG1-CE2 3.22Å; V1637-F1641 HydrophobicContact CG1-CG 4.49Å; V1637-F1641 HydrophobicContact CG1-CZ 4.07Å; V1637-F1641 VanDerWaalsContact O-CD2 3.29Å; V1637-F1641 WeakPolarHBondContact O-CD2 3.43Å; V1637-F1641 WeakPolarHBondContact O-CG 3.38Å; V1637-F1641 PolarHBondContact O-N 3.24Å; V1637-A1708 HydrophobicContact CG1-CB 4.36Å; V1637-C1712 VanDerWaalsContact CB-SG 3.59Å; V1637-C1712 HydrophobicContact CG1-CB 4.41Å; V1637-C1712 VanDerWaalsContact CG1-SG 3.58Å |
| 1638 | Q | 89.7 | Confident | 86.1 | Confident | 16.2 Ų | 16.2 | 25 Ų | 25 | 8% | 0.076 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.4 | -34.9 | 177.3 | -171.8 | 60.5 | 32.2 | 0 | 0 | 112.9 | P1634 L1635 S1636 I1640 F1641 S1642 A2013 L2016 E2017 | P1634-Q1638 VanDerWaalsContact O-CB 3.25Å; P1634-Q1638 WeakPolarHBondContact O-CB 3.36Å; P1634-Q1638 PolarHBondContact O-N 3.24Å; L1635-Q1638 PolarHBondContact O-N 3.2Å; S1636-Q1638 VanDerWaalsContact C-N 3.32Å; S1636-Q1638 PolarHBondContact O-N 3.18Å; Q1638-I1640 VanDerWaalsContact C-N 3.31Å; Q1638-I1640 PolarHBondContact O-N 3.22Å; Q1638-F1641 PolarHBondContact O-N 3.14Å; Q1638-S1642 WeakPolarHBondContact O-CB 3.38Å; Q1638-S1642 PolarHBondContact O-N 3.31Å; Q1638-S1642 PolarHBondContact O-OG 2.87Å; Q1638-S1642 VanDerWaalsContact O-OG 3.1Å; Q1638-A2013 WeakPolarHBondContact CG-O 3.22Å; Q1638-L2016 HydrophobicContact CB-CB 4.47Å; Q1638-L2016 HydrophobicContact CB-CD1 4.11Å; Q1638-L2016 HydrophobicContact CG-CB 3.62Å; Q1638-L2016 HydrophobicContact CG-CD1 4.05Å; Q1638-L2016 HydrophobicContact CG-CG 4.44Å; Q1638-E2017 HydrophobicContact CG-CG 4.34Å; Q1638-E2017 PolarHBondContact NE2-OE1 3.15Å; Q1638-E2017 VanDerWaalsContact NE2-OE1 3.13Å; Q1638-E2017 PolarHBondContact OE1-OE1 3.41Å; Q1638-E2017 VanDerWaalsContact OE1-OE1 3.1Å |
| 1639 | T | 89.8 | Confident | 87 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67 | -37.9 | 174.4 | -22.4 | 0 | 0 | 0 | 0 | 112.2 | Y1524 W1527 I1528 R1563 L1566 L1635 S1636 V1637 F1641 S1642 L1643 | Y1524-T1639 HydrophobicContact CE2-CG2 3.8Å; Y1524-T1639 WeakPolarHBondContact CE2-OG1 3.45Å; Y1524-T1639 WeakPolarHBondContact OH-CG2 3.36Å; Y1524-T1639 PolarHBondContact OH-OG1 3.41Å; W1527-T1639 HydrophobicContact CZ3-CG2 4.48Å; W1527-T1639 WeakPolarHBondContact CZ3-OG1 3.44Å; I1528-T1639 HydrophobicContact CD1-CG2 3.96Å; R1563-T1639 HydrophobicContact CG-CG2 4.17Å; R1563-T1639 PolarHBondContact NH1-OG1 3.39Å; L1566-T1639 HydrophobicContact CD2-CG2 4.01Å; L1635-T1639 WeakPolarHBondContact O-CB 3.45Å; L1635-T1639 WeakPolarHBondContact O-CG2 3.41Å; L1635-T1639 PolarHBondContact O-N 3.11Å; L1635-T1639 PolarHBondContact O-OG1 3.02Å; L1635-T1639 VanDerWaalsContact O-OG1 3.05Å; S1636-T1639 WeakPolarHBondContact CA-OG1 3.28Å; S1636-T1639 WeakPolarHBondContact O-CB 3.18Å; S1636-T1639 PolarHBondContact O-N 3.23Å; S1636-T1639 VanDerWaalsContact O-N 3.14Å; S1636-T1639 PolarHBondContact O-OG1 3.25Å; V1637-T1639 VanDerWaalsContact C-N 3.3Å; V1637-T1639 PolarHBondContact O-N 3.25Å; T1639-F1641 VanDerWaalsContact C-N 3.33Å; T1639-S1642 PolarHBondContact O-N 3.43Å; T1639-S1642 PolarHBondContact O-OG 3.23Å; T1639-S1642 VanDerWaalsContact O-OG 3.11Å; T1639-L1643 WeakPolarHBondContact O-CB 3.37Å; T1639-L1643 PolarHBondContact O-N 3.28Å |
| 1640 | I | 92.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 172.7 | -67.8 | 169.3 | 0 | 0 | 0 | 109.8 | W1531 I1589 V1592 F1593 S1636 V1637 Q1638 S1642 L1643 L1644 | W1531-I1640 HydrophobicContact CH2-CG1 3.93Å; W1531-I1640 HydrophobicContact CZ3-CG1 4.14Å; I1589-I1640 HydrophobicContact CB-CG2 4.5Å; I1589-I1640 HydrophobicContact CG1-CG1 4.47Å; I1589-I1640 HydrophobicContact CG1-CG2 4.17Å; I1589-I1640 HydrophobicContact CG2-CG2 3.89Å; V1592-I1640 HydrophobicContact CB-CD1 3.39Å; V1592-I1640 VanDerWaalsContact CB-CD1 3.42Å; V1592-I1640 HydrophobicContact CG1-CD1 3.4Å; V1592-I1640 VanDerWaalsContact CG1-CD1 3.42Å; V1592-I1640 HydrophobicContact CG2-CD1 3.75Å; F1593-I1640 HydrophobicContact CE1-CB 4.34Å; F1593-I1640 HydrophobicContact CE1-CD1 4.38Å; F1593-I1640 HydrophobicContact CE1-CG2 3.9Å; F1593-I1640 HydrophobicContact CE2-CG2 3.99Å; F1593-I1640 HydrophobicContact CZ-CB 4.3Å; F1593-I1640 HydrophobicContact CZ-CG2 3.39Å; F1593-I1640 VanDerWaalsContact CZ-CG2 3.43Å; S1636-I1640 WeakPolarHBondContact O-CG1 3.29Å; S1636-I1640 PolarHBondContact O-N 2.99Å; V1637-I1640 WeakPolarHBondContact O-CB 3.39Å; V1637-I1640 PolarHBondContact O-N 3.14Å; Q1638-I1640 VanDerWaalsContact C-N 3.31Å; Q1638-I1640 PolarHBondContact O-N 3.22Å; I1640-S1642 VanDerWaalsContact C-N 3.34Å; I1640-S1642 PolarHBondContact O-N 3Å; I1640-L1643 WeakPolarHBondContact O-CB 3.31Å; I1640-L1643 PolarHBondContact O-N 3.19Å; I1640-L1644 HydrophobicContact CG2-CD1 4.02Å; I1640-L1644 HydrophobicContact CG2-CG 4.24Å; I1640-L1644 VanDerWaalsContact O-CG 3.29Å; I1640-L1644 WeakPolarHBondContact O-CG 3.34Å; I1640-L1644 PolarHBondContact O-N 3.17Å |
| 1641 | F | 91.5 | Very high | 88.1 | Confident | 0.8 Ų | 0.8 | 21.1 Ų | 21.1 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 177.3 | -72.4 | -44.9 | 0 | 0 | 0 | 112.7 | F1593 V1637 Q1638 T1639 L1643 L1644 D1645 Q1705 S1709 R1717 | F1593-F1641 AromaticContact CE1-CE1 3.99Å; F1593-F1641 HydrophobicContact CE1-CE1 4.05Å; F1593-F1641 HydrophobicContact CE1-CE2 4.34Å; F1593-F1641 AromaticContact CE1-CZ 3.92Å; F1593-F1641 HydrophobicContact CE1-CZ 3.97Å; F1593-F1641 HydrophobicContact CZ-CD1 4.33Å; F1593-F1641 AromaticContact CZ-CE1 3.8Å; F1593-F1641 HydrophobicContact CZ-CE1 3.8Å; F1593-F1641 HydrophobicContact CZ-CZ 4.19Å; V1637-F1641 HydrophobicContact CG1-CD2 3.62Å; V1637-F1641 HydrophobicContact CG1-CE2 3.22Å; V1637-F1641 HydrophobicContact CG1-CG 4.49Å; V1637-F1641 HydrophobicContact CG1-CZ 4.07Å; V1637-F1641 VanDerWaalsContact O-CD2 3.29Å; V1637-F1641 WeakPolarHBondContact O-CD2 3.43Å; V1637-F1641 WeakPolarHBondContact O-CG 3.38Å; V1637-F1641 PolarHBondContact O-N 3.24Å; Q1638-F1641 PolarHBondContact O-N 3.14Å; T1639-F1641 VanDerWaalsContact C-N 3.33Å; F1641-L1643 VanDerWaalsContact C-N 3.32Å; F1641-L1643 PolarHBondContact O-N 3.09Å; F1641-L1644 HydrophobicContact CD1-CD1 4.29Å; F1641-L1644 PolarHBondContact O-N 3.05Å; F1641-D1645 VanDerWaalsContact O-CB 3.29Å; F1641-D1645 WeakPolarHBondContact O-CB 3.31Å; F1641-D1645 PolarHBondContact O-N 3.17Å; F1641-Q1705 HydrophobicContact CE1-CB 4.27Å; F1641-Q1705 HydrophobicContact CE1-CG 4.34Å; F1641-Q1705 HydrophobicContact CZ-CB 4.44Å; F1641-S1709 VanDerWaalsContact CE2-OG 3.28Å; F1641-S1709 WeakPolarHBondContact CE2-OG 3.1Å; F1641-S1709 WeakPolarHBondContact CZ-OG 3.43Å; F1641-R1717 VanDerWaalsContact CD1-CD 3.44Å; F1641-R1717 VanDerWaalsContact CD1-NH2 3.34Å; F1641-R1717 VanDerWaalsContact CD2-CD 3.41Å; F1641-R1717 HydrophobicContact CE1-CG 4.5Å; F1641-R1717 VanDerWaalsContact CG-CZ 3.48Å |
| 1642 | S | 88.6 | Confident | 88.6 | Confident | 21.4 Ų | 21.4 | 23.9 Ų | 23.9 | 15% | 0.15 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 174.5 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | R1563 E1567 Q1638 T1639 I1640 D1645 Y1646 | R1563-S1642 PolarHBondContact NE-OG 3.36Å; R1563-S1642 VanDerWaalsContact NH2-CB 3.27Å; R1563-S1642 PolarHBondContact NH2-OG 2.97Å; E1567-S1642 PolarHBondContact OE1-OG 3.16Å; Q1638-S1642 WeakPolarHBondContact O-CB 3.38Å; Q1638-S1642 PolarHBondContact O-N 3.31Å; Q1638-S1642 PolarHBondContact O-OG 2.87Å; Q1638-S1642 VanDerWaalsContact O-OG 3.1Å; T1639-S1642 PolarHBondContact O-N 3.43Å; T1639-S1642 PolarHBondContact O-OG 3.23Å; T1639-S1642 VanDerWaalsContact O-OG 3.11Å; I1640-S1642 VanDerWaalsContact C-N 3.34Å; I1640-S1642 PolarHBondContact O-N 3Å; S1642-D1645 PolarHBondContact O-N 2.98Å; S1642-Y1646 VanDerWaalsContact O-CB 3.28Å; S1642-Y1646 WeakPolarHBondContact O-CB 3.33Å; S1642-Y1646 PolarHBondContact O-N 3.2Å |
| 1643 | L | 91.8 | Very high | 88.6 | Confident | 0.2 Ų | 0.2 | 23.9 Ų | 23.9 | 0% | 0.001 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61 | -47.5 | 172.6 | 169.1 | 64.9 | 0 | 0 | 0 | 111.7 | W1531 E1567 A1570 L1585 I1589 T1639 I1640 F1641 D1645 Y1646 L1647 | W1531-L1643 HydrophobicContact CH2-CD2 4.12Å; W1531-L1643 HydrophobicContact CZ2-CD2 4.47Å; E1567-L1643 HydrophobicContact CG-CD1 4.36Å; A1570-L1643 HydrophobicContact CB-CD1 3.48Å; A1570-L1643 VanDerWaalsContact CB-CD1 3.45Å; A1570-L1643 HydrophobicContact CB-CD2 4.25Å; A1570-L1643 HydrophobicContact CB-CG 4.46Å; L1585-L1643 HydrophobicContact CD1-CD2 4.17Å; I1589-L1643 HydrophobicContact CD1-CD2 4.36Å; T1639-L1643 WeakPolarHBondContact O-CB 3.37Å; T1639-L1643 PolarHBondContact O-N 3.28Å; I1640-L1643 WeakPolarHBondContact O-CB 3.31Å; I1640-L1643 PolarHBondContact O-N 3.19Å; F1641-L1643 VanDerWaalsContact C-N 3.32Å; F1641-L1643 PolarHBondContact O-N 3.09Å; L1643-D1645 VanDerWaalsContact C-N 3.33Å; L1643-D1645 PolarHBondContact O-N 2.88Å; L1643-Y1646 WeakPolarHBondContact O-CB 3.41Å; L1643-Y1646 PolarHBondContact O-N 3.18Å; L1643-L1647 HydrophobicContact CD1-CD1 4.29Å; L1643-L1647 HydrophobicContact CD1-CG 4.3Å; L1643-L1647 HydrophobicContact CG-CD1 4.43Å; L1643-L1647 VanDerWaalsContact O-CG 3.32Å; L1643-L1647 WeakPolarHBondContact O-CG 3.36Å; L1643-L1647 PolarHBondContact O-N 3.31Å |
| 1644 | L | 91.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 178.6 | -66.2 | 178.6 | 0 | 0 | 0 | 111.7 | F1593 I1640 F1641 L1647 K1648 L1697 I1700 | F1593-L1644 HydrophobicContact CE2-CD1 4.42Å; F1593-L1644 HydrophobicContact CZ-CD1 4.27Å; I1640-L1644 HydrophobicContact CG2-CD1 4.02Å; I1640-L1644 HydrophobicContact CG2-CG 4.24Å; I1640-L1644 VanDerWaalsContact O-CG 3.29Å; I1640-L1644 WeakPolarHBondContact O-CG 3.34Å; I1640-L1644 PolarHBondContact O-N 3.17Å; F1641-L1644 HydrophobicContact CD1-CD1 4.29Å; F1641-L1644 PolarHBondContact O-N 3.05Å; L1644-L1647 PolarHBondContact O-N 3.13Å; L1644-K1648 WeakPolarHBondContact O-CB 3.34Å; L1644-K1648 VanDerWaalsContact O-CG 3.25Å; L1644-K1648 WeakPolarHBondContact O-CG 3.25Å; L1644-K1648 PolarHBondContact O-N 3.09Å; L1644-L1697 HydrophobicContact CD2-CD2 3.85Å; L1644-I1700 HydrophobicContact CD1-CD1 4.36Å; L1644-I1700 HydrophobicContact CD2-CD1 3.41Å; L1644-I1700 VanDerWaalsContact CD2-CD1 3.43Å; L1644-I1700 HydrophobicContact CG-CD1 4.48Å |
| 1645 | D | 89 | Confident | 88.3 | Confident | 58.2 Ų | 58.2 | 27.1 Ų | 27.1 | 31% | 0.311 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -68 | -38.3 | 177.5 | -68 | -18.6 | 0 | 0 | 0 | 110.9 | F1641 S1642 L1643 K1648 H1649 R1717 | F1641-D1645 VanDerWaalsContact O-CB 3.29Å; F1641-D1645 WeakPolarHBondContact O-CB 3.31Å; F1641-D1645 PolarHBondContact O-N 3.17Å; S1642-D1645 PolarHBondContact O-N 2.98Å; L1643-D1645 VanDerWaalsContact C-N 3.33Å; L1643-D1645 PolarHBondContact O-N 2.88Å; D1645-K1648 PolarHBondContact O-N 3.09Å; D1645-K1648 IonicContact OD1-NZ 3.17Å; D1645-H1649 VanDerWaalsContact O-CB 3.27Å; D1645-H1649 WeakPolarHBondContact O-CB 3.41Å; D1645-H1649 PolarHBondContact O-N 3.08Å; D1645-R1717 VanDerWaalsContact CG-NH1 3.27Å; D1645-R1717 IonicContact OD1-CZ 3.55Å; D1645-R1717 IonicContact OD1-NH1 2.85Å; D1645-R1717 PolarHBondContact OD1-NH1 3.2Å; D1645-R1717 IonicContact OD1-NH2 3.43Å; D1645-R1717 PolarHBondContact OD1-NH2 3.42Å; D1645-R1717 IonicContact OD2-CZ 3.82Å; D1645-R1717 IonicContact OD2-NE 3.45Å; D1645-R1717 IonicContact OD2-NH1 2.7Å; D1645-R1717 PolarHBondContact OD2-NH1 3.02Å; D1645-R1717 IonicContact OD2-NH2 3.27Å; D1645-R1717 PolarHBondContact OD2-NH2 3.17Å |
| 1646 | Y | 89.2 | Confident | 88 | Confident | 14 Ų | 14 | 30.8 Ų | 30.8 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -46 | 171.8 | 172.3 | -94.6 | 0 | 0 | 0 | 111.9 | V1404 I1405 F1406 E1567 H1568 L1571 S1642 L1643 H1649 W1650 | V1404-Y1646 HydrophobicContact CG1-CD2 3.74Å; V1404-Y1646 HydrophobicContact CG1-CE2 3.64Å; V1404-Y1646 VanDerWaalsContact CG1-CE2 3.49Å; I1405-Y1646 PolarHBondContact O-OH 3.47Å; F1406-Y1646 WeakPolarHBondContact CA-OH 2.97Å; F1406-Y1646 HydrophobicContact CD1-CD2 4.34Å; F1406-Y1646 AromaticContact CD1-CE1 3.94Å; F1406-Y1646 HydrophobicContact CD1-CE1 4.13Å; F1406-Y1646 AromaticContact CD1-CE2 3.59Å; F1406-Y1646 HydrophobicContact CD1-CE2 3.59Å; F1406-Y1646 VanDerWaalsContact CD1-CE2 3.5Å; F1406-Y1646 AromaticContact CD1-CZ 3.4Å; F1406-Y1646 VanDerWaalsContact CD1-CZ 3.43Å; F1406-Y1646 VanDerWaalsContact CD1-OH 3.27Å; F1406-Y1646 WeakPolarHBondContact CD1-OH 3.31Å; F1406-Y1646 AromaticContact CE1-CD2 4Å; F1406-Y1646 HydrophobicContact CE1-CD2 4.04Å; F1406-Y1646 HydrophobicContact CE1-CE1 4.36Å; F1406-Y1646 AromaticContact CE1-CE2 3.6Å; F1406-Y1646 HydrophobicContact CE1-CE2 3.6Å; F1406-Y1646 AromaticContact CE1-CZ 3.81Å; E1567-Y1646 HydrophobicContact CB-CD1 3.96Å; E1567-Y1646 HydrophobicContact CB-CD2 4.43Å; E1567-Y1646 HydrophobicContact CB-CE1 4.11Å; E1567-Y1646 HydrophobicContact CB-CG 4.12Å; E1567-Y1646 HydrophobicContact CG-CG 4.4Å; E1567-Y1646 VanDerWaalsContact O-CE1 3.22Å; E1567-Y1646 WeakPolarHBondContact O-CE1 3.25Å; H1568-Y1646 PolarHBondContact CE1-OH 3.06Å; H1568-Y1646 AromaticContact ND1-CZ 3.73Å; H1568-Y1646 PolarHBondContact ND1-OH 2.97Å; L1571-Y1646 HydrophobicContact CB-CE1 4.06Å; L1571-Y1646 HydrophobicContact CD2-CE1 4.02Å; S1642-Y1646 VanDerWaalsContact O-CB 3.28Å; S1642-Y1646 WeakPolarHBondContact O-CB 3.33Å; S1642-Y1646 PolarHBondContact O-N 3.2Å; L1643-Y1646 WeakPolarHBondContact O-CB 3.41Å; L1643-Y1646 PolarHBondContact O-N 3.18Å; Y1646-H1649 PolarHBondContact O-N 3.18Å; Y1646-W1650 PolarHBondContact O-N 3.27Å |
| 1647 | L | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 176.2 | -67.7 | 176.5 | 0 | 0 | 0 | 112.2 | L1571 L1574 L1643 L1644 H1649 W1650 L1651 V1693 F1696 L1697 | L1571-L1647 HydrophobicContact CB-CD2 3.99Å; L1571-L1647 HydrophobicContact CD1-CD2 3.91Å; L1571-L1647 HydrophobicContact CG-CD2 4.49Å; L1574-L1647 HydrophobicContact CD1-CD1 3.84Å; L1574-L1647 HydrophobicContact CD1-CD2 3.93Å; L1643-L1647 HydrophobicContact CD1-CD1 4.29Å; L1643-L1647 HydrophobicContact CD1-CG 4.3Å; L1643-L1647 HydrophobicContact CG-CD1 4.43Å; L1643-L1647 VanDerWaalsContact O-CG 3.32Å; L1643-L1647 WeakPolarHBondContact O-CG 3.36Å; L1643-L1647 PolarHBondContact O-N 3.31Å; L1644-L1647 PolarHBondContact O-N 3.13Å; L1647-H1649 VanDerWaalsContact C-N 3.32Å; L1647-H1649 PolarHBondContact O-N 3.16Å; L1647-W1650 PolarHBondContact O-N 3.18Å; L1647-L1651 WeakPolarHBondContact O-CB 3.34Å; L1647-L1651 PolarHBondContact O-N 3.14Å; L1647-V1693 HydrophobicContact CB-CG1 4.41Å; L1647-F1696 HydrophobicContact CD1-CD1 4.32Å; L1647-F1696 HydrophobicContact CD1-CE1 4.13Å; L1647-L1697 HydrophobicContact CB-CD1 4.33Å; L1647-L1697 HydrophobicContact CB-CD2 4.13Å; L1647-L1697 HydrophobicContact CD1-CD2 4.42Å |
| 1648 | K | 90 | Very high | 86.5 | Confident | 68.8 Ų | 68.8 | 36.5 Ų | 36.5 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 174.5 | -74.8 | 171.2 | -174 | 172.3 | 0 | 111.6 | L1644 D1645 L1651 R1652 L1697 | L1644-K1648 WeakPolarHBondContact O-CB 3.34Å; L1644-K1648 VanDerWaalsContact O-CG 3.25Å; L1644-K1648 WeakPolarHBondContact O-CG 3.25Å; L1644-K1648 PolarHBondContact O-N 3.09Å; D1645-K1648 PolarHBondContact O-N 3.09Å; D1645-K1648 IonicContact OD1-NZ 3.17Å; K1648-L1651 WeakPolarHBondContact O-CB 3.31Å; K1648-L1651 PolarHBondContact O-N 3.2Å; K1648-R1652 WeakPolarHBondContact O-CB 3.38Å; K1648-R1652 WeakPolarHBondContact O-CG 3.4Å; K1648-R1652 PolarHBondContact O-N 2.89Å; K1648-L1697 HydrophobicContact CG-CD1 3.85Å; K1648-L1697 HydrophobicContact CG-CD2 4.3Å |
| 1649 | H | 86.9 | Confident | 85.6 | Confident | 72.8 Ų | 72.8 | 38.3 Ų | 38.3 | 34% | 0.337 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.6 | -45 | 177.3 | -174.3 | 58.5 | 0 | 0 | 0 | 111.2 | F1406 D1645 Y1646 L1647 L1651 R1652 I1653 | F1406-H1649 AromaticContact CZ-CD2 3.77Å; D1645-H1649 VanDerWaalsContact O-CB 3.27Å; D1645-H1649 WeakPolarHBondContact O-CB 3.41Å; D1645-H1649 PolarHBondContact O-N 3.08Å; Y1646-H1649 PolarHBondContact O-N 3.18Å; L1647-H1649 VanDerWaalsContact C-N 3.32Å; L1647-H1649 PolarHBondContact O-N 3.16Å; H1649-L1651 VanDerWaalsContact C-N 3.33Å; H1649-L1651 PolarHBondContact O-N 3.25Å; H1649-R1652 PolarHBondContact O-N 3.2Å; H1649-I1653 VanDerWaalsContact NE2-CD1 3.33Å; H1649-I1653 WeakPolarHBondContact NE2-CD1 3.36Å; H1649-I1653 WeakPolarHBondContact O-CG1 3.27Å; H1649-I1653 PolarHBondContact O-N 3.17Å; H1649-I1653 VanDerWaalsContact O-N 3.13Å |
| 1650 | W | 88.7 | Confident | 84.6 | Confident | 0.4 Ų | 0.4 | 41.9 Ų | 41.9 | 0% | 0.002 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.7 | -48.4 | 171.9 | -177.5 | 79.2 | 0 | 0 | 0 | 111.8 | F1406 N1408 L1571 L1575 Y1646 L1647 R1652 I1653 Q1654 A1685 I1690 V1693 | F1406-W1650 HydrophobicContact CD1-CB 3.87Å; F1406-W1650 AromaticContact CD1-CD1 3.35Å; F1406-W1650 VanDerWaalsContact CD1-CD1 3.41Å; F1406-W1650 AromaticContact CD1-CG 3.93Å; F1406-W1650 HydrophobicContact CD1-CG 3.93Å; F1406-W1650 AromaticContact CD2-CD1 3.74Å; F1406-W1650 HydrophobicContact CE1-CB 3.41Å; F1406-W1650 VanDerWaalsContact CE1-CB 3.43Å; F1406-W1650 AromaticContact CE1-CD1 3.71Å; F1406-W1650 AromaticContact CE1-CG 3.9Å; F1406-W1650 HydrophobicContact CE1-CG 3.95Å; F1406-W1650 AromaticContact CE2-CD1 3.93Å; F1406-W1650 AromaticContact CG-CD1 3.39Å; F1406-W1650 VanDerWaalsContact CG-CD1 3.42Å; F1406-W1650 HydrophobicContact CG-CG 4.37Å; F1406-W1650 VanDerWaalsContact CZ-CA 3.49Å; F1406-W1650 HydrophobicContact CZ-CB 3.81Å; F1406-W1650 AromaticContact CZ-CD1 3.91Å; F1406-W1650 HydrophobicContact CZ-CG 4.34Å; N1408-W1650 PolarHBondContact ND2-NE1 3.38Å; L1571-W1650 HydrophobicContact CD1-CD2 3.74Å; L1571-W1650 HydrophobicContact CD1-CE3 4.02Å; L1571-W1650 HydrophobicContact CD1-CG 4.07Å; L1571-W1650 HydrophobicContact CD1-CZ2 4.34Å; L1571-W1650 HydrophobicContact CD1-CZ3 4.45Å; L1571-W1650 HydrophobicContact CD2-CD2 4.46Å; L1571-W1650 HydrophobicContact CD2-CG 4.12Å; L1575-W1650 HydrophobicContact CD2-CH2 3.84Å; L1575-W1650 HydrophobicContact CD2-CZ2 3.97Å; Y1646-W1650 PolarHBondContact O-N 3.27Å; L1647-W1650 PolarHBondContact O-N 3.18Å; W1650-R1652 VanDerWaalsContact C-N 3.33Å; W1650-R1652 PolarHBondContact O-N 3.23Å; W1650-I1653 PolarHBondContact O-N 3.18Å; W1650-Q1654 HydrophobicContact CD2-CG 3.91Å; W1650-Q1654 HydrophobicContact CE3-CG 4.2Å; W1650-Q1654 HydrophobicContact CG-CG 4.49Å; W1650-Q1654 HydrophobicContact CH2-CG 4.02Å; W1650-Q1654 HydrophobicContact CZ2-CG 3.72Å; W1650-Q1654 HydrophobicContact CZ3-CG 4.23Å; W1650-Q1654 WeakPolarHBondContact O-CG 3.28Å; W1650-Q1654 PolarHBondContact O-N 3.21Å; W1650-A1685 HydrophobicContact CH2-CB 3.91Å; W1650-A1685 HydrophobicContact CZ2-CB 3.56Å; W1650-I1690 HydrophobicContact CH2-CG1 3.91Å; W1650-I1690 HydrophobicContact CZ3-CG1 4.24Å; W1650-V1693 HydrophobicContact CE3-CB 4.26Å; W1650-V1693 HydrophobicContact CE3-CG1 4.04Å; W1650-V1693 HydrophobicContact CE3-CG2 4.12Å; W1650-V1693 HydrophobicContact CH2-CG2 4.23Å; W1650-V1693 HydrophobicContact CZ3-CB 3.81Å; W1650-V1693 HydrophobicContact CZ3-CG1 4.11Å; W1650-V1693 HydrophobicContact CZ3-CG2 3.59Å |
| 1651 | L | 87.2 | Confident | 83.2 | Confident | 19.6 Ų | 19.6 | 47.4 Ų | 47.4 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | -179.6 | -178.8 | 82.9 | 0 | 0 | 0 | 111.4 | L1647 K1648 H1649 I1653 Q1654 Q1655 I1690 V1693 L1697 | L1647-L1651 WeakPolarHBondContact O-CB 3.34Å; L1647-L1651 PolarHBondContact O-N 3.14Å; K1648-L1651 WeakPolarHBondContact O-CB 3.31Å; K1648-L1651 PolarHBondContact O-N 3.2Å; H1649-L1651 VanDerWaalsContact C-N 3.33Å; H1649-L1651 PolarHBondContact O-N 3.25Å; L1651-I1653 PolarHBondContact O-N 3.31Å; L1651-Q1654 PolarHBondContact O-N 3.12Å; L1651-Q1655 HydrophobicContact CD1-CG 4.36Å; L1651-Q1655 VanDerWaalsContact CD2-CD 3.46Å; L1651-Q1655 HydrophobicContact CD2-CG 4.38Å; L1651-Q1655 VanDerWaalsContact CD2-NE2 3.33Å; L1651-Q1655 WeakPolarHBondContact O-CB 3.31Å; L1651-Q1655 VanDerWaalsContact O-CG 3.29Å; L1651-Q1655 WeakPolarHBondContact O-CG 3.27Å; L1651-Q1655 PolarHBondContact O-N 3.1Å; L1651-I1690 HydrophobicContact CD1-CG2 3.77Å; L1651-V1693 HydrophobicContact CB-CG1 4.48Å; L1651-V1693 HydrophobicContact CD1-CG1 4.35Å; L1651-L1697 HydrophobicContact CD1-CD1 4.1Å; L1651-L1697 HydrophobicContact CD2-CD1 4.1Å |
| 1652 | R | 85.1 | Confident | 81.5 | Confident | 142.4 Ų | 142.4 | 50.7 Ų | 50.7 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 177.6 | -164.2 | 179.4 | 177.8 | 165 | 5 | 111.8 | K1648 H1649 W1650 Q1654 Q1655 E1656 | K1648-R1652 WeakPolarHBondContact O-CB 3.38Å; K1648-R1652 WeakPolarHBondContact O-CG 3.4Å; K1648-R1652 PolarHBondContact O-N 2.89Å; H1649-R1652 PolarHBondContact O-N 3.2Å; W1650-R1652 VanDerWaalsContact C-N 3.33Å; W1650-R1652 PolarHBondContact O-N 3.23Å; R1652-Q1654 VanDerWaalsContact C-N 3.34Å; R1652-Q1654 PolarHBondContact O-N 3.1Å; R1652-Q1655 PolarHBondContact O-N 3.13Å; R1652-E1656 WeakPolarHBondContact CG-OE1 3.32Å; R1652-E1656 IonicContact CZ-OE1 3.25Å; R1652-E1656 IonicContact NE-OE1 3.19Å; R1652-E1656 PolarHBondContact NE-OE1 3.23Å; R1652-E1656 IonicContact NH2-OE1 3.31Å; R1652-E1656 WeakPolarHBondContact O-CG 3.33Å; R1652-E1656 PolarHBondContact O-N 3.16Å |
| 1653 | I | 83 | Confident | 79.9 | Confident | 25.6 Ų | 25.6 | 53.9 Ų | 53.9 | 13% | 0.131 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 178.2 | -72.4 | 172.3 | 0 | 0 | 0 | 110.4 | F1406 H1649 W1650 L1651 Q1655 E1656 Y1657 | F1406-I1653 HydrophobicContact CE2-CD1 3.72Å; F1406-I1653 HydrophobicContact CZ-CD1 3.97Å; H1649-I1653 VanDerWaalsContact NE2-CD1 3.33Å; H1649-I1653 WeakPolarHBondContact NE2-CD1 3.36Å; H1649-I1653 WeakPolarHBondContact O-CG1 3.27Å; H1649-I1653 PolarHBondContact O-N 3.17Å; H1649-I1653 VanDerWaalsContact O-N 3.13Å; W1650-I1653 PolarHBondContact O-N 3.18Å; L1651-I1653 PolarHBondContact O-N 3.31Å; I1653-Q1655 VanDerWaalsContact C-N 3.32Å; I1653-Q1655 PolarHBondContact O-N 3.22Å; I1653-E1656 PolarHBondContact O-N 3.14Å; I1653-Y1657 HydrophobicContact CG2-CD2 3.73Å; I1653-Y1657 HydrophobicContact CG2-CE2 3.42Å; I1653-Y1657 WeakPolarHBondContact O-CD2 3.41Å; I1653-Y1657 PolarHBondContact O-N 3.13Å; I1653-Y1657 VanDerWaalsContact O-N 3.08Å |
| 1654 | Q | 83.1 | Confident | 78 | Confident | 3.4 Ų | 3.4 | 58.2 Ų | 58.2 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64 | -38.1 | 178.4 | -66.6 | -63.5 | -32.5 | 0 | 0 | 112.6 | W1650 L1651 R1652 Y1657 Q1658 A1683 A1685 I1690 | W1650-Q1654 HydrophobicContact CD2-CG 3.91Å; W1650-Q1654 HydrophobicContact CE3-CG 4.2Å; W1650-Q1654 HydrophobicContact CG-CG 4.49Å; W1650-Q1654 HydrophobicContact CH2-CG 4.02Å; W1650-Q1654 HydrophobicContact CZ2-CG 3.72Å; W1650-Q1654 HydrophobicContact CZ3-CG 4.23Å; W1650-Q1654 WeakPolarHBondContact O-CG 3.28Å; W1650-Q1654 PolarHBondContact O-N 3.21Å; L1651-Q1654 PolarHBondContact O-N 3.12Å; R1652-Q1654 VanDerWaalsContact C-N 3.34Å; R1652-Q1654 PolarHBondContact O-N 3.1Å; Q1654-Y1657 PolarHBondContact O-N 3.11Å; Q1654-Q1658 WeakPolarHBondContact O-CG 3.45Å; Q1654-Q1658 PolarHBondContact O-N 3.3Å; Q1654-A1683 PolarHBondContact NE2-O 2.74Å; Q1654-A1685 VanDerWaalsContact OE1-N 3.11Å; Q1654-I1690 HydrophobicContact CB-CD1 3.82Å; Q1654-I1690 HydrophobicContact CB-CG1 4Å; Q1654-I1690 HydrophobicContact CG-CD1 4.42Å; Q1654-I1690 HydrophobicContact CG-CG1 4.38Å |
| 1655 | Q | 82.1 | Confident | 75.9 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 175.2 | -73.7 | 174 | -11.6 | 0 | 0 | 112.2 | L1651 R1652 I1653 Y1657 Q1658 A1659 | L1651-Q1655 HydrophobicContact CD1-CG 4.36Å; L1651-Q1655 VanDerWaalsContact CD2-CD 3.46Å; L1651-Q1655 HydrophobicContact CD2-CG 4.38Å; L1651-Q1655 VanDerWaalsContact CD2-NE2 3.33Å; L1651-Q1655 WeakPolarHBondContact O-CB 3.31Å; L1651-Q1655 VanDerWaalsContact O-CG 3.29Å; L1651-Q1655 WeakPolarHBondContact O-CG 3.27Å; L1651-Q1655 PolarHBondContact O-N 3.1Å; R1652-Q1655 PolarHBondContact O-N 3.13Å; I1653-Q1655 VanDerWaalsContact C-N 3.32Å; I1653-Q1655 PolarHBondContact O-N 3.22Å; Q1655-Y1657 VanDerWaalsContact C-N 3.31Å; Q1655-Y1657 PolarHBondContact O-N 3.1Å; Q1655-Q1658 PolarHBondContact O-N 3.07Å; Q1655-Q1658 VanDerWaalsContact O-N 3.16Å; Q1655-A1659 WeakPolarHBondContact O-CB 3.38Å; Q1655-A1659 PolarHBondContact O-N 3.24Å |
| 1656 | E | 79.4 | Confident | 73.7 | Confident | 108.2 Ų | 108.2 | 68.6 Ų | 68.6 | 51% | 0.506 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 174.2 | -72.5 | 175.7 | -168.1 | 0 | 0 | 111.5 | R1652 I1653 A1659 T1660 | R1652-E1656 WeakPolarHBondContact CG-OE1 3.32Å; R1652-E1656 IonicContact CZ-OE1 3.25Å; R1652-E1656 IonicContact NE-OE1 3.19Å; R1652-E1656 PolarHBondContact NE-OE1 3.23Å; R1652-E1656 IonicContact NH2-OE1 3.31Å; R1652-E1656 WeakPolarHBondContact O-CG 3.33Å; R1652-E1656 PolarHBondContact O-N 3.16Å; I1653-E1656 PolarHBondContact O-N 3.14Å; E1656-A1659 PolarHBondContact O-N 2.97Å; E1656-T1660 WeakPolarHBondContact O-CG2 3.41Å; E1656-T1660 PolarHBondContact O-N 3.15Å; E1656-T1660 VanDerWaalsContact O-N 3.09Å; E1656-T1660 PolarHBondContact O-OG1 3.28Å; E1656-T1660 VanDerWaalsContact O-OG1 3.1Å |
| 1657 | Y | 73.7 | Confident | 71.5 | Confident | 39.4 Ų | 39.4 | 71.4 Ų | 71.4 | 16% | 0.155 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 172.9 | -80.8 | -65.7 | 0 | 0 | 0 | 113.7 | I1653 Q1654 Q1655 T1660 K1661 L1680 H1682 V1684 | I1653-Y1657 HydrophobicContact CG2-CD2 3.73Å; I1653-Y1657 HydrophobicContact CG2-CE2 3.42Å; I1653-Y1657 WeakPolarHBondContact O-CD2 3.41Å; I1653-Y1657 PolarHBondContact O-N 3.13Å; I1653-Y1657 VanDerWaalsContact O-N 3.08Å; Q1654-Y1657 PolarHBondContact O-N 3.11Å; Q1655-Y1657 VanDerWaalsContact C-N 3.31Å; Q1655-Y1657 PolarHBondContact O-N 3.1Å; Y1657-T1660 WeakPolarHBondContact CA-OG1 3.36Å; Y1657-T1660 PolarHBondContact O-OG1 3.24Å; Y1657-K1661 PolarHBondContact O-N 3.03Å; Y1657-K1661 VanDerWaalsContact O-N 3.13Å; Y1657-L1680 HydrophobicContact CE1-CB 4Å; Y1657-L1680 HydrophobicContact CE1-CD1 3.81Å; Y1657-L1680 HydrophobicContact CE1-CD2 4.42Å; Y1657-L1680 HydrophobicContact CE1-CG 4.31Å; Y1657-L1680 VanDerWaalsContact OH-CB 3.23Å; Y1657-L1680 WeakPolarHBondContact OH-CB 3.32Å; Y1657-L1680 WeakPolarHBondContact OH-CD2 3.33Å; Y1657-L1680 PolarHBondContact OH-O 3.16Å; Y1657-H1682 HydrophobicContact CE2-CB 3.94Å; Y1657-H1682 AromaticContact CE2-CD2 3.73Å; Y1657-H1682 AromaticContact CZ-CD2 3.89Å; Y1657-H1682 PolarHBondContact OH-CD2 3.29Å; Y1657-H1682 VanDerWaalsContact OH-CD2 3.24Å; Y1657-V1684 HydrophobicContact CG-CG2 4.38Å |
| 1658 | Q | 72.5 | Confident | 68.9 | Low | 79.4 Ų | 79.4 | 76.5 Ų | 76.5 | 37% | 0.371 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 175.2 | -74.3 | -173.9 | -13.5 | 0 | 0 | 111.6 | Q1654 Q1655 T1660 K1661 S1662 I1690 | Q1654-Q1658 WeakPolarHBondContact O-CG 3.45Å; Q1654-Q1658 PolarHBondContact O-N 3.3Å; Q1655-Q1658 PolarHBondContact O-N 3.07Å; Q1655-Q1658 VanDerWaalsContact O-N 3.16Å; Q1658-T1660 PolarHBondContact O-N 2.95Å; Q1658-K1661 PolarHBondContact O-N 3.4Å; Q1658-S1662 PolarHBondContact O-N 3.13Å; Q1658-S1662 VanDerWaalsContact O-N 3.12Å; Q1658-S1662 PolarHBondContact O-OG 3.48Å; Q1658-I1690 HydrophobicContact CG-CD1 4.37Å |
| 1659 | A | 71.6 | Confident | 66.6 | Low | 55.2 Ų | 55.2 | 77.7 Ų | 77.7 | 46% | 0.456 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1655 E1656 K1661 S1662 T1663 | Q1655-A1659 WeakPolarHBondContact O-CB 3.38Å; Q1655-A1659 PolarHBondContact O-N 3.24Å; E1656-A1659 PolarHBondContact O-N 2.97Å; A1659-K1661 PolarHBondContact O-N 3.18Å; A1659-S1662 PolarHBondContact O-N 3.36Å; A1659-S1662 PolarHBondContact O-OG 3.17Å; A1659-T1663 PolarHBondContact O-N 3.25Å; A1659-T1663 PolarHBondContact O-OG1 3.17Å; A1659-T1663 VanDerWaalsContact O-OG1 3.06Å |
| 1660 | T | 69.5 | Low | 64.3 | Low | 75.4 Ų | 75.4 | 80.5 Ų | 80.5 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 175.7 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | E1656 Y1657 Q1658 S1662 T1663 V1664 | E1656-T1660 WeakPolarHBondContact O-CG2 3.41Å; E1656-T1660 PolarHBondContact O-N 3.15Å; E1656-T1660 VanDerWaalsContact O-N 3.09Å; E1656-T1660 PolarHBondContact O-OG1 3.28Å; E1656-T1660 VanDerWaalsContact O-OG1 3.1Å; Y1657-T1660 WeakPolarHBondContact CA-OG1 3.36Å; Y1657-T1660 PolarHBondContact O-OG1 3.24Å; Q1658-T1660 PolarHBondContact O-N 2.95Å; T1660-S1662 VanDerWaalsContact C-N 3.34Å; T1660-S1662 PolarHBondContact O-N 3.13Å; T1660-T1663 WeakPolarHBondContact CA-OG1 3.28Å; T1660-T1663 PolarHBondContact O-N 3.09Å; T1660-T1663 PolarHBondContact O-OG1 3.3Å; T1660-V1664 VanDerWaalsContact O-CG2 3.26Å; T1660-V1664 WeakPolarHBondContact O-CG2 3.37Å; T1660-V1664 PolarHBondContact O-N 3.2Å; T1660-V1664 VanDerWaalsContact O-N 3.13Å |
| 1661 | K | 61.4 | Low | 61.5 | Low | 116.8 Ų | 116.8 | 88.5 Ų | 88.5 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 173.5 | -80.8 | -176 | 177.5 | 178.2 | 0 | 113.3 | Y1657 Q1658 A1659 T1663 V1664 K1665 V1684 | Y1657-K1661 PolarHBondContact O-N 3.03Å; Y1657-K1661 VanDerWaalsContact O-N 3.13Å; Q1658-K1661 PolarHBondContact O-N 3.4Å; A1659-K1661 PolarHBondContact O-N 3.18Å; K1661-T1663 VanDerWaalsContact C-N 3.33Å; K1661-T1663 PolarHBondContact O-N 3.24Å; K1661-V1664 PolarHBondContact O-N 2.85Å; K1661-K1665 WeakPolarHBondContact O-CG 3.23Å; K1661-K1665 PolarHBondContact O-N 3.05Å; K1661-K1665 VanDerWaalsContact O-N 3.15Å; K1661-V1684 HydrophobicContact CD-CG2 4.5Å; K1661-V1684 VanDerWaalsContact NZ-CG2 3.32Å |
| 1662 | S | 56.9 | Low | 59 | Low | 70 Ų | 70 | 94.7 Ų | 94.7 | 49% | 0.49 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -35.3 | 178.8 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | Q1658 A1659 T1660 S1666 | Q1658-S1662 PolarHBondContact O-N 3.13Å; Q1658-S1662 VanDerWaalsContact O-N 3.12Å; Q1658-S1662 PolarHBondContact O-OG 3.48Å; A1659-S1662 PolarHBondContact O-N 3.36Å; A1659-S1662 PolarHBondContact O-OG 3.17Å; T1660-S1662 VanDerWaalsContact C-N 3.34Å; T1660-S1662 PolarHBondContact O-N 3.13Å; S1662-S1666 PolarHBondContact O-N 3.01Å; S1662-S1666 PolarHBondContact O-OG 3.19Å; S1662-S1666 VanDerWaalsContact O-OG 3.1Å |
| 1663 | T | 54.1 | Low | 56.5 | Low | 88.4 Ų | 88.4 | 94.4 Ų | 94.4 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.3 | -39.6 | 175.4 | 34.4 | 0 | 0 | 0 | 0 | 112.4 | A1659 T1660 K1661 K1665 S1666 A1667 | A1659-T1663 PolarHBondContact O-N 3.25Å; A1659-T1663 PolarHBondContact O-OG1 3.17Å; A1659-T1663 VanDerWaalsContact O-OG1 3.06Å; T1660-T1663 WeakPolarHBondContact CA-OG1 3.28Å; T1660-T1663 PolarHBondContact O-N 3.09Å; T1660-T1663 PolarHBondContact O-OG1 3.3Å; K1661-T1663 VanDerWaalsContact C-N 3.33Å; K1661-T1663 PolarHBondContact O-N 3.24Å; T1663-K1665 VanDerWaalsContact C-N 3.33Å; T1663-K1665 PolarHBondContact O-N 3.06Å; T1663-S1666 WeakPolarHBondContact O-CB 3.21Å; T1663-S1666 PolarHBondContact O-N 3.13Å; T1663-S1666 VanDerWaalsContact O-N 3.11Å; T1663-A1667 PolarHBondContact O-N 3.32Å; T1663-A1667 VanDerWaalsContact O-N 3.13Å |
| 1664 | V | 51.4 | Low | 54.1 | Low | 89.4 Ų | 89.4 | 98.5 Ų | 98.5 | 54% | 0.542 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.5 | -36 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | T1660 K1661 S1666 A1667 T1668 | T1660-V1664 VanDerWaalsContact O-CG2 3.26Å; T1660-V1664 WeakPolarHBondContact O-CG2 3.37Å; T1660-V1664 PolarHBondContact O-N 3.2Å; T1660-V1664 VanDerWaalsContact O-N 3.13Å; K1661-V1664 PolarHBondContact O-N 2.85Å; V1664-S1666 PolarHBondContact O-N 3.15Å; V1664-S1666 VanDerWaalsContact O-N 3.13Å; V1664-A1667 PolarHBondContact O-N 3.09Å; V1664-A1667 VanDerWaalsContact O-N 3.12Å; V1664-T1668 HydrophobicContact CG1-CG2 4.05Å; V1664-T1668 WeakPolarHBondContact O-CG2 3.41Å; V1664-T1668 PolarHBondContact O-N 3.29Å; V1664-T1668 VanDerWaalsContact O-N 3.17Å; V1664-T1668 PolarHBondContact O-OG1 3.11Å; V1664-T1668 VanDerWaalsContact O-OG1 3.13Å |
| 1665 | K | 47.4 | Very low | 51.8 | Low | 174 Ų | 174 | 108 Ų | 108 | 76% | 0.757 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.5 | -25.8 | 173.7 | -77.2 | -175.9 | 177.7 | -177.1 | 0 | 113.3 | K1661 T1663 A1667 T1668 | K1661-K1665 WeakPolarHBondContact O-CG 3.23Å; K1661-K1665 PolarHBondContact O-N 3.05Å; K1661-K1665 VanDerWaalsContact O-N 3.15Å; T1663-K1665 VanDerWaalsContact C-N 3.33Å; T1663-K1665 PolarHBondContact O-N 3.06Å; K1665-A1667 VanDerWaalsContact C-N 3.34Å; K1665-T1668 PolarHBondContact O-OG1 2.77Å |
| 1666 | S | 44.4 | Very low | 49.4 | Very low | 105.4 Ų | 105.4 | 111 Ų | 111 | 74% | 0.737 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -83.7 | -20.2 | 177.2 | -50.1 | 0 | 0 | 0 | 0 | 113 | S1662 T1663 V1664 | S1662-S1666 PolarHBondContact O-N 3.01Å; S1662-S1666 PolarHBondContact O-OG 3.19Å; S1662-S1666 VanDerWaalsContact O-OG 3.1Å; T1663-S1666 WeakPolarHBondContact O-CB 3.21Å; T1663-S1666 PolarHBondContact O-N 3.13Å; T1663-S1666 VanDerWaalsContact O-N 3.11Å; V1664-S1666 PolarHBondContact O-N 3.15Å; V1664-S1666 VanDerWaalsContact O-N 3.13Å |
| 1667 | A | 41.9 | Very low | 47.2 | Very low | 71 Ų | 71 | 111.6 Ų | 111.6 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -104.3 | -6.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1663 V1664 K1665 A1669 V1670 | T1663-A1667 PolarHBondContact O-N 3.32Å; T1663-A1667 VanDerWaalsContact O-N 3.13Å; V1664-A1667 PolarHBondContact O-N 3.09Å; V1664-A1667 VanDerWaalsContact O-N 3.12Å; K1665-A1667 VanDerWaalsContact C-N 3.34Å; A1667-A1669 VanDerWaalsContact C-N 3.3Å; A1667-A1669 PolarHBondContact O-N 3.19Å; A1667-V1670 PolarHBondContact O-N 3.17Å |
| 1668 | T | 37.3 | Very low | 45.4 | Very low | 107.4 Ų | 107.4 | 117.2 Ų | 117.2 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 37 | 177.6 | 41.2 | 0 | 0 | 0 | 0 | 114 | V1664 K1665 V1670 | V1664-T1668 HydrophobicContact CG1-CG2 4.05Å; V1664-T1668 WeakPolarHBondContact O-CG2 3.41Å; V1664-T1668 PolarHBondContact O-N 3.29Å; V1664-T1668 VanDerWaalsContact O-N 3.17Å; V1664-T1668 PolarHBondContact O-OG1 3.11Å; V1664-T1668 VanDerWaalsContact O-OG1 3.13Å; K1665-T1668 PolarHBondContact O-OG1 2.77Å; T1668-V1670 VanDerWaalsContact C-N 3.31Å; T1668-V1670 PolarHBondContact O-N 2.99Å |
| 1669 | A | 40.8 | Very low | 43.7 | Very low | 94.2 Ų | 94.2 | 118.8 Ų | 118.8 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 17.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1667 | A1667-A1669 VanDerWaalsContact C-N 3.3Å; A1667-A1669 PolarHBondContact O-N 3.19Å |
| 1670 | V | 37.8 | Very low | 42.3 | Very low | 131 Ų | 131 | 121 Ų | 121 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -143.8 | 126.9 | 165.9 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | A1667 T1668 | A1667-V1670 PolarHBondContact O-N 3.17Å; T1668-V1670 VanDerWaalsContact C-N 3.31Å; T1668-V1670 PolarHBondContact O-N 2.99Å |
| 1671 | Q | 31.6 | Very low | 41.4 | Very low | 169.6 Ų | 169.6 | 122.3 Ų | 122.3 | 79% | 0.793 | 69% | 0.692 | S | S | * | * | trans | -67.8 | 155 | -173.6 | -69.5 | 170.3 | -27.8 | 0 | 0 | 114 | ||||
| 1672 | N | 33.7 | Very low | 40.9 | Very low | 149 Ų | 149 | 118.2 Ų | 118.2 | 80% | 0.797 | 67% | 0.674 | S | S | * | * | trans | 82.4 | 92 | 155.3 | -58 | -22.7 | 0 | 0 | 0 | 118.6 | P1674 | N1672-P1674 WeakPolarHBondContact O-CD 3.33Š| ||
| 1673 | V | 32.3 | Very low | 40.8 | Very low | 136.2 Ų | 136.2 | 116.9 Ų | 116.9 | 83% | 0.825 | 67% | 0.668 | S | S | * | * | trans | -119.9 | 137.7 | 153.8 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | K1675 | V1673-K1675 HydrophobicContact CG1-CG 3.91Š| ||
| 1674 | P | 34.2 | Very low | 41.1 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | trans | -83.3 | 146.8 | -174 | 1.7 | 14 | 0 | 0 | 0 | 113.2 | N1672 D1676 | N1672-P1674 WeakPolarHBondContact O-CD 3.33Å; P1674-D1676 VanDerWaalsContact C-N 3.28Å; P1674-D1676 PolarHBondContact O-N 3.19Å; P1674-D1676 VanDerWaalsContact O-N 3.09Å | ||
| 1675 | K | 34.1 | Very low | 41.7 | Very low | 201.8 Ų | 201.8 | 111.4 Ų | 111.4 | 88% | 0.877 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -74.2 | 41.5 | -173.9 | -72.4 | 176.5 | 174.8 | 177 | 0 | 114.5 | V1673 | V1673-K1675 HydrophobicContact CG1-CG 3.91Š|
| 1676 | D | 31.1 | Very low | 43 | Very low | 156.6 Ų | 156.6 | 107.1 Ų | 107.1 | 84% | 0.837 | 63% | 0.625 | S | S | * | * | trans | -124 | 40.4 | -179.9 | -76.6 | -30.4 | 0 | 0 | 0 | 113.6 | P1674 N1678 | P1674-D1676 VanDerWaalsContact C-N 3.28Å; P1674-D1676 PolarHBondContact O-N 3.19Å; P1674-D1676 VanDerWaalsContact O-N 3.09Å; D1676-N1678 PolarHBondContact O-N 3.43Å | ||
| 1677 | V | 34.3 | Very low | 44.4 | Very low | 120.2 Ų | 120.2 | 105.3 Ų | 105.3 | 73% | 0.728 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -110.9 | 115.3 | 160.2 | -173.9 | 0 | 0 | 0 | 0 | 107 | V1679 | V1677-V1679 HydrophobicContact CB-CG2 3.98Å; V1677-V1679 HydrophobicContact CG1-CB 4.47Å; V1677-V1679 HydrophobicContact CG1-CG2 3.7Å; V1677-V1679 VanDerWaalsContact O-CG2 3.27Å; V1677-V1679 WeakPolarHBondContact O-CG2 3.43Å; V1677-V1679 PolarHBondContact O-N 3.29Å |
| 1678 | N | 34.3 | Very low | 46.2 | Very low | 157.4 Ų | 157.4 | 108.4 Ų | 108.4 | 84% | 0.842 | 62% | 0.615 | S | S | * | * | trans | -47.6 | 79.1 | 168.5 | -81.3 | -31.4 | 0 | 0 | 0 | 110.7 | D1676 L1680 | D1676-N1678 PolarHBondContact O-N 3.43Å; N1678-L1680 VanDerWaalsContact C-N 3.3Å; N1678-L1680 PolarHBondContact O-N 3.08Å | ||
| 1679 | V | 38.5 | Very low | 48.2 | Very low | 113.4 Ų | 113.4 | 103.3 Ų | 103.3 | 69% | 0.687 | 58% | 0.584 | S | S | * | * | trans | -69 | 100.4 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 106.4 | V1677 Q1681 | V1677-V1679 HydrophobicContact CB-CG2 3.98Å; V1677-V1679 HydrophobicContact CG1-CB 4.47Å; V1677-V1679 HydrophobicContact CG1-CG2 3.7Å; V1677-V1679 VanDerWaalsContact O-CG2 3.27Å; V1677-V1679 WeakPolarHBondContact O-CG2 3.43Å; V1677-V1679 PolarHBondContact O-N 3.29Å; V1679-Q1681 WeakPolarHBondContact O-CG 3.39Å; V1679-Q1681 PolarHBondContact O-N 3.32Å; V1679-Q1681 VanDerWaalsContact O-N 3.1Å | ||
| 1680 | L | 42.1 | Very low | 50.2 | Low | 101.6 Ų | 101.6 | 99.2 Ų | 99.2 | 53% | 0.532 | 55% | 0.549 | S | S | . | . | trans | -13.6 | 103 | 163.9 | -67 | 159 | 0 | 0 | 0 | 111.5 | Y1657 N1678 H1682 | Y1657-L1680 HydrophobicContact CE1-CB 4Å; Y1657-L1680 HydrophobicContact CE1-CD1 3.81Å; Y1657-L1680 HydrophobicContact CE1-CD2 4.42Å; Y1657-L1680 HydrophobicContact CE1-CG 4.31Å; Y1657-L1680 VanDerWaalsContact OH-CB 3.23Å; Y1657-L1680 WeakPolarHBondContact OH-CB 3.32Å; Y1657-L1680 WeakPolarHBondContact OH-CD2 3.33Å; Y1657-L1680 PolarHBondContact OH-O 3.16Å; N1678-L1680 VanDerWaalsContact C-N 3.3Å; N1678-L1680 PolarHBondContact O-N 3.08Å; L1680-H1682 VanDerWaalsContact C-N 3.34Å; L1680-H1682 PolarHBondContact O-N 3.31Å | ||
| 1681 | Q | 49.1 | Very low | 52.5 | Low | 102 Ų | 102 | 99.4 Ų | 99.4 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | trans | -77.7 | 25.3 | -170.6 | -65.9 | 176.3 | -12.2 | 0 | 0 | 113.9 | R1411 V1679 A1683 | R1411-Q1681 VanDerWaalsContact CZ-OE1 3.26Å; V1679-Q1681 WeakPolarHBondContact O-CG 3.39Å; V1679-Q1681 PolarHBondContact O-N 3.32Å; V1679-Q1681 VanDerWaalsContact O-N 3.1Å; Q1681-A1683 PolarHBondContact O-N 3.14Å | ||
| 1682 | H | 50.8 | Low | 55 | Low | 30.4 Ų | 30.4 | 93.8 Ų | 93.8 | 14% | 0.141 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 123.1 | 174.9 | -66.4 | -66.3 | 0 | 0 | 0 | 109.8 | D1409 Y1657 L1680 V1684 | D1409-H1682 VanDerWaalsContact CG-ND1 3.34Å; D1409-H1682 IonicContact OD1-CE1 3.66Å; D1409-H1682 IonicContact OD1-CG 3.26Å; D1409-H1682 IonicContact OD1-ND1 3.14Å; D1409-H1682 PolarHBondContact OD1-ND1 2.85Å; D1409-H1682 VanDerWaalsContact OD1-ND1 3.07Å; D1409-H1682 IonicContact OD2-CE1 3.09Å; D1409-H1682 PolarHBondContact OD2-CE1 3.15Å; D1409-H1682 IonicContact OD2-ND1 3.53Å; D1409-H1682 PolarHBondContact OD2-ND1 3.19Å; Y1657-H1682 HydrophobicContact CE2-CB 3.94Å; Y1657-H1682 AromaticContact CE2-CD2 3.73Å; Y1657-H1682 AromaticContact CZ-CD2 3.89Å; Y1657-H1682 PolarHBondContact OH-CD2 3.29Å; Y1657-H1682 VanDerWaalsContact OH-CD2 3.24Å; L1680-H1682 VanDerWaalsContact C-N 3.34Å; L1680-H1682 PolarHBondContact O-N 3.31Å; H1682-V1684 PolarHBondContact O-N 3.38Å |
| 1683 | A | 54.8 | Low | 57.6 | Low | 43.8 Ų | 43.8 | 86.7 Ų | 86.7 | 36% | 0.362 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 123.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | N1408 Q1654 Q1681 A1685 | N1408-A1683 WeakPolarHBondContact O-CB 3.34Å; Q1654-A1683 PolarHBondContact NE2-O 2.74Å; Q1681-A1683 PolarHBondContact O-N 3.14Å; A1683-A1685 PolarHBondContact O-N 2.91Å |
| 1684 | V | 61.2 | Low | 60.2 | Low | 53 Ų | 53 | 82.6 Ų | 82.6 | 32% | 0.321 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -69 | 118.7 | 175.9 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | Y1657 K1661 H1682 | Y1657-V1684 HydrophobicContact CG-CG2 4.38Å; K1661-V1684 HydrophobicContact CD-CG2 4.5Å; K1661-V1684 VanDerWaalsContact NZ-CG2 3.32Å; H1682-V1684 PolarHBondContact O-N 3.38Å |
| 1685 | A | 65.2 | Low | 62.8 | Low | 8.8 Ų | 8.8 | 79.8 Ų | 79.8 | 7% | 0.073 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 155 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1575 W1650 Q1654 A1683 I1690 | L1575-A1685 HydrophobicContact CD2-CB 4.45Å; W1650-A1685 HydrophobicContact CH2-CB 3.91Å; W1650-A1685 HydrophobicContact CZ2-CB 3.56Å; Q1654-A1685 VanDerWaalsContact OE1-N 3.11Å; A1683-A1685 PolarHBondContact O-N 2.91Å; A1685-I1690 HydrophobicContact CB-CG1 4.36Å |
| 1686 | P | 72.8 | Confident | 65.6 | Low | 83.8 Ų | 83.8 | 70.6 Ų | 70.6 | 54% | 0.544 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 144.3 | 173.2 | 15.1 | -20.9 | 0 | 0 | 0 | 110.8 | E1688 G1689 I1690 | P1686-E1688 PolarHBondContact O-N 3.4Å; P1686-G1689 WeakPolarHBondContact O-CA 3.3Å; P1686-G1689 PolarHBondContact O-N 3.32Å; P1686-I1690 PolarHBondContact O-N 3.11Å |
| 1687 | S | 75.4 | Confident | 68.4 | Low | 67.8 Ų | 67.8 | 64.3 Ų | 64.3 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.8 | -38.7 | -179.4 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | G1689 I1690 E1691 | S1687-G1689 VanDerWaalsContact C-N 3.28Å; S1687-G1689 PolarHBondContact O-N 3.22Å; S1687-I1690 WeakPolarHBondContact O-CB 3.46Å; S1687-I1690 PolarHBondContact O-N 3.24Å; S1687-I1690 VanDerWaalsContact O-N 3.15Å; S1687-E1691 PolarHBondContact O-N 3.11Å |
| 1688 | E | 78.5 | Confident | 70.9 | Confident | 135.4 Ų | 135.4 | 62.4 Ų | 62.4 | 63% | 0.633 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.2 | -35.9 | 175.5 | -64.3 | 172.5 | -173.1 | 0 | 0 | 112.7 | P1686 E1691 R1692 | P1686-E1688 PolarHBondContact O-N 3.4Å; E1688-E1691 PolarHBondContact O-N 2.74Å; E1688-R1692 WeakPolarHBondContact O-CB 3.44Å; E1688-R1692 VanDerWaalsContact O-CG 3.25Å; E1688-R1692 WeakPolarHBondContact O-CG 3.14Å; E1688-R1692 PolarHBondContact O-N 3.11Å; E1688-R1692 VanDerWaalsContact O-N 3.1Å; E1688-R1692 PolarHBondContact O-NE 2.97Å; E1688-R1692 VanDerWaalsContact O-NE 3.12Å |
| 1689 | G | 79.9 | Confident | 73.5 | Confident | 0.6 Ų | 0.6 | 59 Ų | 59 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.7 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1686 S1687 R1692 V1693 | P1686-G1689 WeakPolarHBondContact O-CA 3.3Å; P1686-G1689 PolarHBondContact O-N 3.32Å; S1687-G1689 VanDerWaalsContact C-N 3.28Å; S1687-G1689 PolarHBondContact O-N 3.22Å; G1689-R1692 PolarHBondContact O-N 3.19Å; G1689-V1693 WeakPolarHBondContact O-CG2 3.4Å; G1689-V1693 PolarHBondContact O-N 3.2Å |
| 1690 | I | 83.3 | Confident | 76 | Confident | 8.2 Ų | 8.2 | 53.7 Ų | 53.7 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 178.2 | -64.6 | 165.3 | 0 | 0 | 0 | 110.3 | W1650 L1651 Q1654 Q1658 A1685 P1686 S1687 R1692 V1693 S1694 | W1650-I1690 HydrophobicContact CH2-CG1 3.91Å; W1650-I1690 HydrophobicContact CZ3-CG1 4.24Å; L1651-I1690 HydrophobicContact CD1-CG2 3.77Å; Q1654-I1690 HydrophobicContact CB-CD1 3.82Å; Q1654-I1690 HydrophobicContact CB-CG1 4Å; Q1654-I1690 HydrophobicContact CG-CD1 4.42Å; Q1654-I1690 HydrophobicContact CG-CG1 4.38Å; Q1658-I1690 HydrophobicContact CG-CD1 4.37Å; A1685-I1690 HydrophobicContact CB-CG1 4.36Å; P1686-I1690 PolarHBondContact O-N 3.11Å; S1687-I1690 WeakPolarHBondContact O-CB 3.46Å; S1687-I1690 PolarHBondContact O-N 3.24Å; S1687-I1690 VanDerWaalsContact O-N 3.15Å; I1690-R1692 VanDerWaalsContact C-N 3.31Å; I1690-R1692 PolarHBondContact O-N 3.41Å; I1690-V1693 PolarHBondContact O-N 3.17Å; I1690-S1694 WeakPolarHBondContact O-CB 3.43Å; I1690-S1694 PolarHBondContact O-N 3.14Å |
| 1691 | E | 85 | Confident | 78.3 | Confident | 135.8 Ų | 135.8 | 51.7 Ų | 51.7 | 64% | 0.635 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62 | -38.1 | 175.1 | -72.8 | -180 | -173.6 | 0 | 0 | 111.9 | S1687 E1688 S1694 S1695 | S1687-E1691 PolarHBondContact O-N 3.11Å; E1688-E1691 PolarHBondContact O-N 2.74Å; E1691-S1694 WeakPolarHBondContact O-CB 3.44Å; E1691-S1694 PolarHBondContact O-N 3.21Å; E1691-S1695 VanDerWaalsContact O-CB 3.3Å; E1691-S1695 WeakPolarHBondContact O-CB 3.33Å; E1691-S1695 PolarHBondContact O-N 3.21Å; E1691-S1695 PolarHBondContact O-OG 2.87Å |
| 1692 | R | 85.2 | Confident | 80.3 | Confident | 50.8 Ų | 50.8 | 47.8 Ų | 47.8 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 176.5 | -93.2 | -179.4 | -69.2 | 142.9 | -4.6 | 113.2 | L1574 L1575 D1577 E1688 G1689 I1690 S1694 S1695 F1696 | L1574-R1692 PolarHBondContact O-NH1 3.28Å; L1575-R1692 VanDerWaalsContact O-CZ 3.28Å; L1575-R1692 PolarHBondContact O-NH1 2.97Å; L1575-R1692 PolarHBondContact O-NH2 2.95Å; D1577-R1692 VanDerWaalsContact CA-NH1 3.26Å; D1577-R1692 VanDerWaalsContact CG-NH1 3.34Å; D1577-R1692 VanDerWaalsContact OD1-CD 3.26Å; D1577-R1692 WeakPolarHBondContact OD1-CD 3.23Å; D1577-R1692 IonicContact OD1-CZ 2.64Å; D1577-R1692 IonicContact OD1-NE 3.73Å; D1577-R1692 IonicContact OD1-NH1 3.22Å; D1577-R1692 PolarHBondContact OD1-NH1 3.19Å; D1577-R1692 VanDerWaalsContact OD1-NH1 3.09Å; E1688-R1692 WeakPolarHBondContact O-CB 3.44Å; E1688-R1692 VanDerWaalsContact O-CG 3.25Å; E1688-R1692 WeakPolarHBondContact O-CG 3.14Å; E1688-R1692 PolarHBondContact O-N 3.11Å; E1688-R1692 VanDerWaalsContact O-N 3.1Å; E1688-R1692 PolarHBondContact O-NE 2.97Å; E1688-R1692 VanDerWaalsContact O-NE 3.12Å; G1689-R1692 PolarHBondContact O-N 3.19Å; I1690-R1692 VanDerWaalsContact C-N 3.31Å; I1690-R1692 PolarHBondContact O-N 3.41Å; R1692-S1694 VanDerWaalsContact C-N 3.3Å; R1692-S1694 PolarHBondContact O-N 3.22Å; R1692-S1695 WeakPolarHBondContact CA-OG 3.38Å; R1692-S1695 PolarHBondContact O-N 3.12Å; R1692-S1695 PolarHBondContact O-OG 3.01Å; R1692-F1696 VanDerWaalsContact O-CB 3.32Å; R1692-F1696 WeakPolarHBondContact O-CB 3.33Å; R1692-F1696 PolarHBondContact O-N 3.24Å |
| 1693 | V | 86.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 174.5 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | L1571 L1574 L1647 W1650 L1651 G1689 I1690 S1695 F1696 L1697 | L1571-V1693 HydrophobicContact CD1-CG2 4.28Å; L1574-V1693 HydrophobicContact CB-CG2 3.96Å; L1574-V1693 HydrophobicContact CD1-CG2 4.2Å; L1647-V1693 HydrophobicContact CB-CG1 4.41Å; W1650-V1693 HydrophobicContact CE3-CB 4.26Å; W1650-V1693 HydrophobicContact CE3-CG1 4.04Å; W1650-V1693 HydrophobicContact CE3-CG2 4.12Å; W1650-V1693 HydrophobicContact CH2-CG2 4.23Å; W1650-V1693 HydrophobicContact CZ3-CB 3.81Å; W1650-V1693 HydrophobicContact CZ3-CG1 4.11Å; W1650-V1693 HydrophobicContact CZ3-CG2 3.59Å; L1651-V1693 HydrophobicContact CB-CG1 4.48Å; L1651-V1693 HydrophobicContact CD1-CG1 4.35Å; G1689-V1693 WeakPolarHBondContact O-CG2 3.4Å; G1689-V1693 PolarHBondContact O-N 3.2Å; I1690-V1693 PolarHBondContact O-N 3.17Å; V1693-S1695 PolarHBondContact O-N 3.13Å; V1693-F1696 PolarHBondContact O-N 3.2Å; V1693-L1697 HydrophobicContact CG1-CD1 4.09Å; V1693-L1697 HydrophobicContact CG1-CG 4.49Å; V1693-L1697 WeakPolarHBondContact O-CB 3.29Å; V1693-L1697 VanDerWaalsContact O-CG 3.3Å; V1693-L1697 WeakPolarHBondContact O-CG 3.34Å; V1693-L1697 PolarHBondContact O-N 3.13Å |
| 1694 | S | 88 | Confident | 83.7 | Confident | 49.6 Ų | 49.6 | 47.8 Ų | 47.8 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.5 | -170.7 | 0 | 0 | 0 | 0 | 112 | I1690 E1691 R1692 F1696 L1697 S1698 | I1690-S1694 WeakPolarHBondContact O-CB 3.43Å; I1690-S1694 PolarHBondContact O-N 3.14Å; E1691-S1694 WeakPolarHBondContact O-CB 3.44Å; E1691-S1694 PolarHBondContact O-N 3.21Å; R1692-S1694 VanDerWaalsContact C-N 3.3Å; R1692-S1694 PolarHBondContact O-N 3.22Å; S1694-F1696 PolarHBondContact O-N 3.49Å; S1694-L1697 PolarHBondContact O-N 3.01Å; S1694-S1698 WeakPolarHBondContact O-CB 3.49Å; S1694-S1698 PolarHBondContact O-N 3.17Å; S1694-S1698 PolarHBondContact O-OG 3.32Å |
| 1695 | S | 89.3 | Confident | 85.2 | Confident | 55.2 Ų | 55.2 | 45.6 Ų | 45.6 | 39% | 0.386 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.7 | 113.3 | 0 | 0 | 0 | 0 | 111.6 | E1691 R1692 V1693 L1697 S1698 N1699 | E1691-S1695 VanDerWaalsContact O-CB 3.3Å; E1691-S1695 WeakPolarHBondContact O-CB 3.33Å; E1691-S1695 PolarHBondContact O-N 3.21Å; E1691-S1695 PolarHBondContact O-OG 2.87Å; R1692-S1695 WeakPolarHBondContact CA-OG 3.38Å; R1692-S1695 PolarHBondContact O-N 3.12Å; R1692-S1695 PolarHBondContact O-OG 3.01Å; V1693-S1695 PolarHBondContact O-N 3.13Å; S1695-L1697 PolarHBondContact O-N 3.23Å; S1695-S1698 WeakPolarHBondContact CA-OG 3.2Å; S1695-S1698 PolarHBondContact O-N 3.2Å; S1695-S1698 PolarHBondContact O-OG 3.1Å; S1695-N1699 VanDerWaalsContact O-CB 3.25Å; S1695-N1699 WeakPolarHBondContact O-CB 3.35Å; S1695-N1699 PolarHBondContact O-N 3.25Å; S1695-N1699 VanDerWaalsContact O-N 3.1Å; S1695-N1699 PolarHBondContact O-ND2 3.19Å |
| 1696 | F | 91.4 | Very high | 86.4 | Confident | 7.2 Ų | 7.2 | 45.2 Ų | 45.2 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 174.7 | 177.2 | -96.6 | 0 | 0 | 0 | 111.7 | L1574 I1582 L1585 K1586 I1589 L1647 R1692 V1693 S1694 S1698 N1699 I1700 | L1574-F1696 HydrophobicContact CD1-CD1 3.94Å; L1574-F1696 HydrophobicContact CD1-CE1 4.37Å; L1574-F1696 HydrophobicContact CD1-CG 4.26Å; L1574-F1696 HydrophobicContact CD2-CB 3.69Å; L1574-F1696 HydrophobicContact CD2-CD1 4.03Å; L1574-F1696 HydrophobicContact CD2-CD2 3.67Å; L1574-F1696 HydrophobicContact CD2-CE2 4.3Å; L1574-F1696 HydrophobicContact CD2-CG 3.51Å; L1574-F1696 VanDerWaalsContact CD2-CG 3.49Å; I1582-F1696 HydrophobicContact CG2-CD2 3.89Å; I1582-F1696 HydrophobicContact CG2-CE2 4.25Å; L1585-F1696 HydrophobicContact CD2-CE1 4.05Å; L1585-F1696 HydrophobicContact CD2-CE2 3.97Å; L1585-F1696 HydrophobicContact CD2-CZ 3.49Å; L1585-F1696 VanDerWaalsContact CD2-CZ 3.47Å; L1585-F1696 HydrophobicContact CG-CE2 4.26Å; L1585-F1696 HydrophobicContact CG-CZ 3.76Å; K1586-F1696 HydrophobicContact CB-CE2 4.12Å; I1589-F1696 HydrophobicContact CD1-CE1 4.38Å; I1589-F1696 HydrophobicContact CD1-CZ 3.91Å; L1647-F1696 HydrophobicContact CD1-CD1 4.32Å; L1647-F1696 HydrophobicContact CD1-CE1 4.13Å; R1692-F1696 VanDerWaalsContact O-CB 3.32Å; R1692-F1696 WeakPolarHBondContact O-CB 3.33Å; R1692-F1696 PolarHBondContact O-N 3.24Å; V1693-F1696 PolarHBondContact O-N 3.2Å; S1694-F1696 PolarHBondContact O-N 3.49Å; F1696-S1698 VanDerWaalsContact C-N 3.33Å; F1696-S1698 PolarHBondContact O-N 3.19Å; F1696-N1699 WeakPolarHBondContact O-CB 3.31Å; F1696-N1699 PolarHBondContact O-N 3.14Å; F1696-N1699 VanDerWaalsContact O-N 3.14Å; F1696-I1700 HydrophobicContact CD1-CD1 4.46Å; F1696-I1700 HydrophobicContact CE1-CD1 3.96Å; F1696-I1700 HydrophobicContact CZ-CD1 4.31Å |
| 1697 | L | 89.7 | Confident | 87.1 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -39 | 178.3 | -72.1 | 171.9 | 0 | 0 | 0 | 112.3 | L1644 L1647 K1648 L1651 V1693 S1694 S1695 N1699 I1700 | L1644-L1697 HydrophobicContact CD2-CD2 3.85Å; L1647-L1697 HydrophobicContact CB-CD1 4.33Å; L1647-L1697 HydrophobicContact CB-CD2 4.13Å; L1647-L1697 HydrophobicContact CD1-CD2 4.42Å; K1648-L1697 HydrophobicContact CG-CD1 3.85Å; K1648-L1697 HydrophobicContact CG-CD2 4.3Å; L1651-L1697 HydrophobicContact CD1-CD1 4.1Å; L1651-L1697 HydrophobicContact CD2-CD1 4.1Å; V1693-L1697 HydrophobicContact CG1-CD1 4.09Å; V1693-L1697 HydrophobicContact CG1-CG 4.49Å; V1693-L1697 WeakPolarHBondContact O-CB 3.29Å; V1693-L1697 VanDerWaalsContact O-CG 3.3Å; V1693-L1697 WeakPolarHBondContact O-CG 3.34Å; V1693-L1697 PolarHBondContact O-N 3.13Å; S1694-L1697 PolarHBondContact O-N 3.01Å; S1695-L1697 PolarHBondContact O-N 3.23Å; L1697-N1699 VanDerWaalsContact C-N 3.29Å; L1697-N1699 PolarHBondContact O-N 3.18Å; L1697-I1700 PolarHBondContact O-N 3.12Å |
| 1698 | S | 87.3 | Confident | 87.7 | Confident | 80.2 Ų | 80.2 | 41.1 Ų | 41.1 | 56% | 0.561 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -70.9 | -22.8 | 176.4 | 64.5 | 0 | 0 | 0 | 0 | 113.7 | S1694 S1695 F1696 I1700 | S1694-S1698 WeakPolarHBondContact O-CB 3.49Å; S1694-S1698 PolarHBondContact O-N 3.17Å; S1694-S1698 PolarHBondContact O-OG 3.32Å; S1695-S1698 WeakPolarHBondContact CA-OG 3.2Å; S1695-S1698 PolarHBondContact O-N 3.2Å; S1695-S1698 PolarHBondContact O-OG 3.1Å; F1696-S1698 VanDerWaalsContact C-N 3.33Å; F1696-S1698 PolarHBondContact O-N 3.19Å; S1698-I1700 VanDerWaalsContact C-N 3.28Å; S1698-I1700 PolarHBondContact O-N 2.99Å |
| 1699 | N | 88.9 | Confident | 88.2 | Confident | 86 Ų | 86 | 34.7 Ų | 34.7 | 46% | 0.46 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -4.5 | -179.7 | -80 | -33.2 | 0 | 0 | 0 | 114 | K1586 S1695 F1696 L1697 | K1586-N1699 PolarHBondContact NZ-O 3.06Å; S1695-N1699 VanDerWaalsContact O-CB 3.25Å; S1695-N1699 WeakPolarHBondContact O-CB 3.35Å; S1695-N1699 PolarHBondContact O-N 3.25Å; S1695-N1699 VanDerWaalsContact O-N 3.1Å; S1695-N1699 PolarHBondContact O-ND2 3.19Å; F1696-N1699 WeakPolarHBondContact O-CB 3.31Å; F1696-N1699 PolarHBondContact O-N 3.14Å; F1696-N1699 VanDerWaalsContact O-N 3.14Å; L1697-N1699 VanDerWaalsContact C-N 3.29Å; L1697-N1699 PolarHBondContact O-N 3.18Å |
| 1700 | I | 90.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -93.2 | 115.3 | 177.4 | -58 | 172.4 | 0 | 0 | 0 | 108.3 | I1589 F1593 L1644 F1696 L1697 S1698 N1702 Q1705 | I1589-I1700 HydrophobicContact CD1-CD1 4.46Å; I1589-I1700 HydrophobicContact CG2-CD1 4.32Å; I1589-I1700 HydrophobicContact CG2-CG2 4.44Å; F1593-I1700 HydrophobicContact CE2-CG2 4.17Å; L1644-I1700 HydrophobicContact CD1-CD1 4.36Å; L1644-I1700 HydrophobicContact CD2-CD1 3.41Å; L1644-I1700 VanDerWaalsContact CD2-CD1 3.43Å; L1644-I1700 HydrophobicContact CG-CD1 4.48Å; F1696-I1700 HydrophobicContact CD1-CD1 4.46Å; F1696-I1700 HydrophobicContact CE1-CD1 3.96Å; F1696-I1700 HydrophobicContact CZ-CD1 4.31Å; L1697-I1700 PolarHBondContact O-N 3.12Å; S1698-I1700 VanDerWaalsContact C-N 3.28Å; S1698-I1700 PolarHBondContact O-N 2.99Å; I1700-N1702 PolarHBondContact O-N 3.04Å; I1700-Q1705 HydrophobicContact CG2-CG 3.95Å; I1700-Q1705 VanDerWaalsContact CG2-NE2 3.33Å; I1700-Q1705 PolarHBondContact O-NE2 3.05Å; I1700-Q1705 VanDerWaalsContact O-NE2 3.1Å |
| 1701 | P | 90.5 | Very high | 88.3 | Confident | 60 Ų | 60 | 38.1 Ų | 38.1 | 39% | 0.39 | 21% | 0.205 | S | C | . | . | trans | -58.7 | 124.5 | -175 | -23.5 | 33.3 | 0 | 0 | 0 | 112.4 | L1590 L1703 L1704 Q1705 | L1590-P1701 HydrophobicContact CD2-CG 4.39Å; P1701-L1703 VanDerWaalsContact C-N 3.27Å; P1701-L1703 PolarHBondContact O-N 3.24Å; P1701-L1704 HydrophobicContact CB-CB 4.18Å; P1701-L1704 HydrophobicContact CB-CD1 4.41Å; P1701-L1704 HydrophobicContact CB-CG 4.41Å; P1701-L1704 HydrophobicContact CG-CD1 4.31Å; P1701-L1704 PolarHBondContact O-N 3.13Å; P1701-Q1705 PolarHBondContact O-N 3.14Å; P1701-Q1705 PolarHBondContact O-NE2 3.38Å | ||
| 1702 | N | 90.8 | Very high | 88.2 | Confident | 18.2 Ų | 18.2 | 32.5 Ų | 32.5 | 10% | 0.097 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -34.2 | 176.5 | -77.1 | -59.1 | 0 | 0 | 0 | 112 | I1700 L1704 Q1705 A1706 H1721 L1724 A1725 E1728 | I1700-N1702 PolarHBondContact O-N 3.04Å; N1702-L1704 VanDerWaalsContact C-N 3.29Å; N1702-L1704 PolarHBondContact O-N 3.17Å; N1702-Q1705 PolarHBondContact O-N 3.15Å; N1702-A1706 WeakPolarHBondContact O-CB 3.4Å; N1702-A1706 PolarHBondContact O-N 3.19Å; N1702-H1721 PolarHBondContact OD1-ND1 3.28Å; N1702-L1724 HydrophobicContact CB-CB 4.32Å; N1702-A1725 HydrophobicContact CB-CB 3.91Å; N1702-E1728 PolarHBondContact ND2-OE1 3.13Å; N1702-E1728 PolarHBondContact ND2-OE2 3.21Å; N1702-E1728 VanDerWaalsContact ND2-OE2 3.12Å |
| 1703 | L | 88.9 | Confident | 88 | Confident | 45.4 Ų | 45.4 | 31.1 Ų | 31.1 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.7 | -43 | 176 | -179.3 | 63.1 | 0 | 0 | 0 | 112.6 | P1701 A1706 K1707 W1722 A1725 T1785 T1788 I1789 | P1701-L1703 VanDerWaalsContact C-N 3.27Å; P1701-L1703 PolarHBondContact O-N 3.24Å; L1703-A1706 PolarHBondContact O-N 3.02Å; L1703-K1707 WeakPolarHBondContact O-CG 3.29Å; L1703-K1707 PolarHBondContact O-N 3.26Å; L1703-K1707 VanDerWaalsContact O-N 3.12Å; L1703-W1722 HydrophobicContact CD1-CE3 4.24Å; L1703-W1722 HydrophobicContact CD1-CH2 4.1Å; L1703-W1722 HydrophobicContact CD1-CZ3 3.4Å; L1703-A1725 HydrophobicContact CB-CB 4.39Å; L1703-T1785 HydrophobicContact CD1-CG2 4.48Å; L1703-T1785 HydrophobicContact CD2-CG2 4.33Å; L1703-T1788 HydrophobicContact CD1-CG2 4.36Å; L1703-I1789 HydrophobicContact CD1-CD1 4.32Å; L1703-I1789 HydrophobicContact CD1-CG1 3.93Å |
| 1704 | L | 89 | Confident | 87.9 | Confident | 30 Ų | 30 | 31.7 Ų | 31.7 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.1 | -40.9 | -179.5 | -154.2 | 87.7 | 0 | 0 | 0 | 111 | L1590 F1593 T1594 T1597 P1701 N1702 A1706 K1707 A1708 | L1590-L1704 HydrophobicContact CD2-CD1 3.81Å; L1590-L1704 HydrophobicContact CD2-CD2 3.79Å; F1593-L1704 HydrophobicContact CB-CB 4.33Å; F1593-L1704 HydrophobicContact CB-CD1 4.28Å; F1593-L1704 HydrophobicContact CB-CD2 3.44Å; F1593-L1704 HydrophobicContact CB-CG 3.64Å; F1593-L1704 HydrophobicContact CD2-CD2 4.06Å; F1593-L1704 HydrophobicContact CD2-CG 4.4Å; F1593-L1704 HydrophobicContact CG-CD2 4.24Å; F1593-L1704 HydrophobicContact CG-CG 4.43Å; T1594-L1704 HydrophobicContact CG2-CD1 4.16Å; T1594-L1704 HydrophobicContact CG2-CD2 4.27Å; T1597-L1704 HydrophobicContact CG2-CD1 4.07Å; P1701-L1704 HydrophobicContact CB-CB 4.18Å; P1701-L1704 HydrophobicContact CB-CD1 4.41Å; P1701-L1704 HydrophobicContact CB-CG 4.41Å; P1701-L1704 HydrophobicContact CG-CD1 4.31Å; P1701-L1704 PolarHBondContact O-N 3.13Å; N1702-L1704 VanDerWaalsContact C-N 3.29Å; N1702-L1704 PolarHBondContact O-N 3.17Å; L1704-A1706 VanDerWaalsContact C-N 3.31Å; L1704-A1706 PolarHBondContact O-N 3.11Å; L1704-K1707 PolarHBondContact O-N 3.03Å; L1704-A1708 WeakPolarHBondContact O-CB 3.36Å; L1704-A1708 PolarHBondContact O-N 3.22Å |
| 1705 | Q | 92.2 | Very high | 87.9 | Confident | 6.4 Ų | 6.4 | 31.7 Ų | 31.7 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 173.4 | -68.9 | 178.5 | 73.4 | 0 | 0 | 111.7 | F1593 F1641 I1700 P1701 N1702 S1709 H1721 | F1593-Q1705 HydrophobicContact CD2-CG 4.46Å; F1593-Q1705 HydrophobicContact CE2-CG 3.76Å; F1593-Q1705 HydrophobicContact CZ-CG 4.07Å; F1641-Q1705 HydrophobicContact CE1-CB 4.27Å; F1641-Q1705 HydrophobicContact CE1-CG 4.34Å; F1641-Q1705 HydrophobicContact CZ-CB 4.44Å; I1700-Q1705 HydrophobicContact CG2-CG 3.95Å; I1700-Q1705 VanDerWaalsContact CG2-NE2 3.33Å; I1700-Q1705 PolarHBondContact O-NE2 3.05Å; I1700-Q1705 VanDerWaalsContact O-NE2 3.1Å; P1701-Q1705 PolarHBondContact O-N 3.14Å; P1701-Q1705 PolarHBondContact O-NE2 3.38Å; N1702-Q1705 PolarHBondContact O-N 3.15Å; Q1705-S1709 VanDerWaalsContact O-CB 3.28Å; Q1705-S1709 WeakPolarHBondContact O-CB 3.31Å; Q1705-S1709 PolarHBondContact O-N 3.29Å; Q1705-S1709 PolarHBondContact O-OG 3.17Å; Q1705-H1721 HydrophobicContact CB-CB 4.27Å; Q1705-H1721 PolarHBondContact OE1-CE1 3.05Å; Q1705-H1721 PolarHBondContact OE1-NE2 3.14Å |
| 1706 | A | 89.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -45.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | N1702 L1703 L1704 S1709 L1710 H1721 W1722 | N1702-A1706 WeakPolarHBondContact O-CB 3.4Å; N1702-A1706 PolarHBondContact O-N 3.19Å; L1703-A1706 PolarHBondContact O-N 3.02Å; L1704-A1706 VanDerWaalsContact C-N 3.31Å; L1704-A1706 PolarHBondContact O-N 3.11Å; A1706-S1709 WeakPolarHBondContact CA-OG 3.42Å; A1706-S1709 PolarHBondContact O-N 3.09Å; A1706-S1709 PolarHBondContact O-OG 3.17Å; A1706-L1710 WeakPolarHBondContact O-CB 3.22Å; A1706-L1710 PolarHBondContact O-N 3.16Å; A1706-H1721 HydrophobicContact CB-CB 3.69Å; A1706-W1722 HydrophobicContact CB-CB 4.47Å; A1706-W1722 HydrophobicContact CB-CD2 3.36Å; A1706-W1722 VanDerWaalsContact CB-CD2 3.43Å; A1706-W1722 VanDerWaalsContact CB-CE2 3.47Å; A1706-W1722 HydrophobicContact CB-CE3 3.7Å; A1706-W1722 HydrophobicContact CB-CG 3.74Å; A1706-W1722 HydrophobicContact CB-CH2 4.28Å; A1706-W1722 HydrophobicContact CB-CZ2 3.94Å; A1706-W1722 HydrophobicContact CB-CZ3 4.17Å |
| 1707 | K | 87.6 | Confident | 87.7 | Confident | 66.6 Ų | 66.6 | 33.2 Ų | 33.2 | 29% | 0.29 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 175.2 | -71 | -178.2 | 175.4 | -170.4 | 0 | 112.3 | T1597 L1703 L1704 S1709 L1710 R1711 W1722 T1788 | T1597-K1707 HydrophobicContact CG2-CB 3.46Å; T1597-K1707 VanDerWaalsContact CG2-CB 3.46Å; T1597-K1707 HydrophobicContact CG2-CD 4.43Å; L1703-K1707 WeakPolarHBondContact O-CG 3.29Å; L1703-K1707 PolarHBondContact O-N 3.26Å; L1703-K1707 VanDerWaalsContact O-N 3.12Å; L1704-K1707 PolarHBondContact O-N 3.03Å; K1707-S1709 VanDerWaalsContact C-N 3.33Å; K1707-S1709 PolarHBondContact O-N 3.05Å; K1707-L1710 PolarHBondContact O-N 2.96Å; K1707-R1711 VanDerWaalsContact O-CG 3.29Å; K1707-R1711 WeakPolarHBondContact O-CG 3.38Å; K1707-R1711 PolarHBondContact O-N 3.15Å; K1707-R1711 VanDerWaalsContact O-N 3.09Å; K1707-W1722 HydrophobicContact CG-CH2 3.62Å; K1707-W1722 HydrophobicContact CG-CZ2 4.01Å; K1707-T1788 VanDerWaalsContact CE-CG2 3.43Å |
| 1708 | A | 88 | Confident | 87.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | F1593 T1597 V1637 L1704 R1711 C1712 | F1593-A1708 HydrophobicContact CB-CB 4.36Å; F1593-A1708 HydrophobicContact CD1-CB 3.51Å; F1593-A1708 VanDerWaalsContact CD1-CB 3.47Å; F1593-A1708 HydrophobicContact CE1-CB 4.08Å; F1593-A1708 HydrophobicContact CG-CB 4.19Å; T1597-A1708 HydrophobicContact CG2-CB 4.27Å; V1637-A1708 HydrophobicContact CG1-CB 4.36Å; L1704-A1708 WeakPolarHBondContact O-CB 3.36Å; L1704-A1708 PolarHBondContact O-N 3.22Å; A1708-R1711 PolarHBondContact O-N 3.11Å; A1708-C1712 PolarHBondContact O-N 3.24Å; A1708-C1712 VanDerWaalsContact O-N 3.09Å; A1708-C1712 PolarHBondContact O-SG 3.34Å |
| 1709 | S | 88.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 176.9 | 36.9 | 0 | 0 | 0 | 0 | 112.9 | F1641 Q1705 A1706 K1707 C1712 G1713 S1714 A1718 | F1641-S1709 VanDerWaalsContact CE2-OG 3.28Å; F1641-S1709 WeakPolarHBondContact CE2-OG 3.1Å; F1641-S1709 WeakPolarHBondContact CZ-OG 3.43Å; Q1705-S1709 VanDerWaalsContact O-CB 3.28Å; Q1705-S1709 WeakPolarHBondContact O-CB 3.31Å; Q1705-S1709 PolarHBondContact O-N 3.29Å; Q1705-S1709 PolarHBondContact O-OG 3.17Å; A1706-S1709 WeakPolarHBondContact CA-OG 3.42Å; A1706-S1709 PolarHBondContact O-N 3.09Å; A1706-S1709 PolarHBondContact O-OG 3.17Å; K1707-S1709 VanDerWaalsContact C-N 3.33Å; K1707-S1709 PolarHBondContact O-N 3.05Å; S1709-C1712 PolarHBondContact O-N 3.04Å; S1709-G1713 PolarHBondContact O-N 2.96Å; S1709-S1714 PolarHBondContact O-N 3.08Å; S1709-A1718 WeakPolarHBondContact OG-CA 3.38Å; S1709-A1718 VanDerWaalsContact OG-CB 3.28Å; S1709-A1718 WeakPolarHBondContact OG-CB 3.32Å; S1709-A1718 PolarHBondContact OG-N 3.21Å |
| 1710 | L | 85.2 | Confident | 88.1 | Confident | 29.2 Ų | 29.2 | 28.8 Ų | 28.8 | 15% | 0.153 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 174.1 | 176.7 | 73.6 | 0 | 0 | 0 | 111 | A1706 K1707 C1712 G1713 F1715 A1718 W1722 D1795 T1796 | A1706-L1710 WeakPolarHBondContact O-CB 3.22Å; A1706-L1710 PolarHBondContact O-N 3.16Å; K1707-L1710 PolarHBondContact O-N 2.96Å; L1710-C1712 VanDerWaalsContact C-N 3.27Å; L1710-C1712 PolarHBondContact O-N 3.25Å; L1710-G1713 PolarHBondContact O-N 3.38Å; L1710-G1713 VanDerWaalsContact O-N 3.14Å; L1710-F1715 HydrophobicContact CD1-CD1 4.02Å; L1710-F1715 HydrophobicContact CD1-CE1 4.1Å; L1710-A1718 HydrophobicContact CB-CB 4.13Å; L1710-W1722 HydrophobicContact CD2-CZ2 4.31Å; L1710-D1795 HydrophobicContact CD1-CB 4.13Å; L1710-D1795 HydrophobicContact CD2-CB 4.02Å; L1710-T1796 HydrophobicContact CD1-CG2 3.76Å; L1710-T1796 HydrophobicContact CG-CG2 4.49Å |
| 1711 | R | 81.9 | Confident | 88.1 | Confident | 52.4 Ų | 52.4 | 28.7 Ų | 28.7 | 20% | 0.198 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -33.4 | 177.5 | -67 | -67.5 | -113.1 | -166.3 | -5.5 | 113.2 | V1596 T1597 S1599 E1608 W1629 K1707 A1708 G1713 | V1596-R1711 HydrophobicContact CG1-CB 4.28Å; T1597-R1711 PolarHBondContact O-NH2 2.97Å; S1599-R1711 PolarHBondContact O-NH2 3.39Å; E1608-R1711 IonicContact OE1-CZ 3.07Å; E1608-R1711 VanDerWaalsContact OE1-CZ 3.26Å; E1608-R1711 IonicContact OE1-NE 3.42Å; E1608-R1711 IonicContact OE1-NH1 3.42Å; E1608-R1711 PolarHBondContact OE1-NH1 3.24Å; E1608-R1711 IonicContact OE1-NH2 3.13Å; E1608-R1711 PolarHBondContact OE1-NH2 3.07Å; E1608-R1711 IonicContact OE2-NH1 3.05Å; W1629-R1711 HydrophobicContact CH2-CB 4.45Å; W1629-R1711 HydrophobicContact CZ3-CB 4.4Å; K1707-R1711 VanDerWaalsContact O-CG 3.29Å; K1707-R1711 WeakPolarHBondContact O-CG 3.38Å; K1707-R1711 PolarHBondContact O-N 3.15Å; K1707-R1711 VanDerWaalsContact O-N 3.09Å; A1708-R1711 PolarHBondContact O-N 3.11Å; R1711-G1713 VanDerWaalsContact C-N 3.29Å; R1711-G1713 PolarHBondContact O-N 3.32Å |
| 1712 | C | 81.8 | Confident | 88.2 | Confident | 17.4 Ų | 17.4 | 26.1 Ų | 26.1 | 12% | 0.118 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 0.7 | 176.8 | -62.5 | 0 | 0 | 0 | 0 | 113.8 | P1634 V1637 A1708 S1709 L1710 S1714 R2024 | P1634-C1712 HydrophobicContact CB-CB 4.43Å; V1637-C1712 VanDerWaalsContact CB-SG 3.59Å; V1637-C1712 HydrophobicContact CG1-CB 4.41Å; V1637-C1712 VanDerWaalsContact CG1-SG 3.58Å; A1708-C1712 PolarHBondContact O-N 3.24Å; A1708-C1712 VanDerWaalsContact O-N 3.09Å; A1708-C1712 PolarHBondContact O-SG 3.34Å; S1709-C1712 PolarHBondContact O-N 3.04Å; L1710-C1712 VanDerWaalsContact C-N 3.27Å; L1710-C1712 PolarHBondContact O-N 3.25Å; C1712-S1714 VanDerWaalsContact C-N 3.31Å; C1712-S1714 PolarHBondContact O-N 3.21Å; C1712-R2024 PolarHBondContact O-NE 3.07Å; C1712-R2024 PolarHBondContact O-NH2 3.27Å |
| 1713 | G | 80.5 | Confident | 88.1 | Confident | 21.4 Ų | 21.4 | 29.2 Ų | 29.2 | 22% | 0.221 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 17.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1709 L1710 R1711 F1715 R2024 | S1709-G1713 PolarHBondContact O-N 2.96Å; L1710-G1713 PolarHBondContact O-N 3.38Å; L1710-G1713 VanDerWaalsContact O-N 3.14Å; R1711-G1713 VanDerWaalsContact C-N 3.29Å; R1711-G1713 PolarHBondContact O-N 3.32Å; G1713-F1715 VanDerWaalsContact C-N 3.31Å; G1713-F1715 WeakPolarHBondContact O-CD2 3.49Å; G1713-F1715 PolarHBondContact O-N 3.07Å; G1713-F1715 VanDerWaalsContact O-N 3.14Å; G1713-R2024 WeakPolarHBondContact O-CG 3.43Å; G1713-R2024 PolarHBondContact O-NE 3.11Å |
| 1714 | S | 85.3 | Confident | 88.2 | Confident | 13.4 Ų | 13.4 | 30.6 Ų | 30.6 | 9% | 0.094 | 16% | 0.164 | C | C | . | . | trans | -89.2 | 66.6 | 176.2 | -155.8 | 0 | 0 | 0 | 0 | 110.4 | S1709 C1712 A1716 R1717 A1718 E2017 | S1709-S1714 PolarHBondContact O-N 3.08Å; C1712-S1714 VanDerWaalsContact C-N 3.31Å; C1712-S1714 PolarHBondContact O-N 3.21Å; S1714-A1716 PolarHBondContact O-N 3.05Å; S1714-R1717 PolarHBondContact O-N 3.08Å; S1714-R1717 VanDerWaalsContact O-N 3.11Å; S1714-R1717 VanDerWaalsContact OG-CB 3.32Å; S1714-R1717 WeakPolarHBondContact OG-CB 3.36Å; S1714-R1717 PolarHBondContact OG-NH1 3.21Å; S1714-A1718 WeakPolarHBondContact O-CB 3.42Å; S1714-A1718 PolarHBondContact O-N 3.07Å; S1714-E2017 PolarHBondContact OG-OE1 3.42Å | ||
| 1715 | F | 87.4 | Confident | 88.1 | Confident | 48.6 Ų | 48.6 | 29.4 Ų | 29.4 | 21% | 0.213 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -38.1 | -167.2 | -53.2 | -61 | 0 | 0 | 0 | 114.6 | L1710 G1713 R1717 A1718 L1719 T1796 S1799 L1800 | L1710-F1715 HydrophobicContact CD1-CD1 4.02Å; L1710-F1715 HydrophobicContact CD1-CE1 4.1Å; G1713-F1715 VanDerWaalsContact C-N 3.31Å; G1713-F1715 WeakPolarHBondContact O-CD2 3.49Å; G1713-F1715 PolarHBondContact O-N 3.07Å; G1713-F1715 VanDerWaalsContact O-N 3.14Å; F1715-R1717 VanDerWaalsContact C-N 3.32Å; F1715-R1717 PolarHBondContact O-N 3.29Å; F1715-A1718 WeakPolarHBondContact O-CB 3.26Å; F1715-A1718 PolarHBondContact O-N 3.07Å; F1715-L1719 WeakPolarHBondContact O-CB 3.35Å; F1715-L1719 PolarHBondContact O-N 3.1Å; F1715-T1796 HydrophobicContact CB-CG2 4.02Å; F1715-T1796 WeakPolarHBondContact O-CG2 3.33Å; F1715-S1799 VanDerWaalsContact CD1-OG 3.24Å; F1715-S1799 WeakPolarHBondContact CD1-OG 3.46Å; F1715-S1799 VanDerWaalsContact CE1-CB 3.45Å; F1715-S1799 WeakPolarHBondContact CE1-OG 3.12Å; F1715-L1800 HydrophobicContact CB-CD1 4.13Å; F1715-L1800 HydrophobicContact CB-CD2 3.61Å; F1715-L1800 HydrophobicContact CB-CG 3.66Å; F1715-L1800 HydrophobicContact CD2-CD2 4.3Å; F1715-L1800 HydrophobicContact CD2-CG 4.47Å; F1715-L1800 HydrophobicContact CG-CD2 4.37Å; F1715-L1800 HydrophobicContact CG-CG 4.38Å |
| 1716 | A | 88 | Confident | 87.7 | Confident | 63.2 Ų | 63.2 | 31.2 Ų | 31.2 | 52% | 0.522 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.1 | -38.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1714 L1720 | S1714-A1716 PolarHBondContact O-N 3.05Å; A1716-L1720 PolarHBondContact O-N 3.18Å; A1716-L1720 VanDerWaalsContact O-N 3.1Å |
| 1717 | R | 89.8 | Confident | 87.4 | Confident | 31.6 Ų | 31.6 | 33 Ų | 33 | 12% | 0.119 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.5 | -39.7 | 174.8 | -175.7 | 176.4 | -89 | 111.8 | -5.3 | 111.1 | F1641 D1645 S1714 F1715 L1719 L1720 H1721 E2017 | F1641-R1717 VanDerWaalsContact CD1-CD 3.44Å; F1641-R1717 VanDerWaalsContact CD1-NH2 3.34Å; F1641-R1717 VanDerWaalsContact CD2-CD 3.41Å; F1641-R1717 HydrophobicContact CE1-CG 4.5Å; F1641-R1717 VanDerWaalsContact CG-CZ 3.48Å; D1645-R1717 VanDerWaalsContact CG-NH1 3.27Å; D1645-R1717 IonicContact OD1-CZ 3.55Å; D1645-R1717 IonicContact OD1-NH1 2.85Å; D1645-R1717 PolarHBondContact OD1-NH1 3.2Å; D1645-R1717 IonicContact OD1-NH2 3.43Å; D1645-R1717 PolarHBondContact OD1-NH2 3.42Å; D1645-R1717 IonicContact OD2-CZ 3.82Å; D1645-R1717 IonicContact OD2-NE 3.45Å; D1645-R1717 IonicContact OD2-NH1 2.7Å; D1645-R1717 PolarHBondContact OD2-NH1 3.02Å; D1645-R1717 IonicContact OD2-NH2 3.27Å; D1645-R1717 PolarHBondContact OD2-NH2 3.17Å; S1714-R1717 PolarHBondContact O-N 3.08Å; S1714-R1717 VanDerWaalsContact O-N 3.11Å; S1714-R1717 VanDerWaalsContact OG-CB 3.32Å; S1714-R1717 WeakPolarHBondContact OG-CB 3.36Å; S1714-R1717 PolarHBondContact OG-NH1 3.21Å; F1715-R1717 VanDerWaalsContact C-N 3.32Å; F1715-R1717 PolarHBondContact O-N 3.29Å; R1717-L1719 VanDerWaalsContact C-N 3.32Å; R1717-L1719 PolarHBondContact O-N 3.32Å; R1717-L1720 WeakPolarHBondContact O-CB 3.44Å; R1717-L1720 PolarHBondContact O-N 3.28Å; R1717-H1721 PolarHBondContact O-CD2 3.19Å; R1717-H1721 PolarHBondContact O-N 3.27Å; R1717-H1721 VanDerWaalsContact O-N 3.08Å; R1717-E2017 IonicContact CZ-OE1 3.14Å; R1717-E2017 IonicContact NH1-OE1 3.42Å; R1717-E2017 PolarHBondContact NH1-OE1 2.96Å; R1717-E2017 IonicContact NH1-OE2 3.67Å; R1717-E2017 IonicContact NH2-OE1 3.03Å |
| 1718 | A | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1709 L1710 S1714 F1715 L1720 H1721 W1722 T1796 | S1709-A1718 WeakPolarHBondContact OG-CA 3.38Å; S1709-A1718 VanDerWaalsContact OG-CB 3.28Å; S1709-A1718 WeakPolarHBondContact OG-CB 3.32Å; S1709-A1718 PolarHBondContact OG-N 3.21Å; L1710-A1718 HydrophobicContact CB-CB 4.13Å; S1714-A1718 WeakPolarHBondContact O-CB 3.42Å; S1714-A1718 PolarHBondContact O-N 3.07Å; F1715-A1718 WeakPolarHBondContact O-CB 3.26Å; F1715-A1718 PolarHBondContact O-N 3.07Å; A1718-L1720 PolarHBondContact O-N 3.24Å; A1718-H1721 PolarHBondContact O-N 3Å; A1718-W1722 VanDerWaalsContact C-CD1 3.46Å; A1718-W1722 WeakPolarHBondContact O-CB 3.35Å; A1718-W1722 VanDerWaalsContact O-CG 3.29Å; A1718-W1722 PolarHBondContact O-N 3.24Å; A1718-T1796 HydrophobicContact CB-CG2 3.67Å |
| 1719 | L | 91.3 | Very high | 86.7 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 13% | 0.131 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.2 | -50.5 | 177.1 | -177.3 | 64.6 | 0 | 0 | 0 | 111.9 | F1715 R1717 H1721 W1722 E1723 L1793 T1796 Y1797 L1800 | F1715-L1719 WeakPolarHBondContact O-CB 3.35Å; F1715-L1719 PolarHBondContact O-N 3.1Å; R1717-L1719 VanDerWaalsContact C-N 3.32Å; R1717-L1719 PolarHBondContact O-N 3.32Å; L1719-H1721 VanDerWaalsContact C-N 3.33Å; L1719-H1721 PolarHBondContact O-N 3.18Å; L1719-W1722 PolarHBondContact O-N 3.1Å; L1719-W1722 VanDerWaalsContact O-N 3.16Å; L1719-E1723 HydrophobicContact CD1-CG 4.36Å; L1719-E1723 WeakPolarHBondContact O-CG 3.36Å; L1719-E1723 PolarHBondContact O-N 3.26Å; L1719-L1793 HydrophobicContact CD1-CD2 3.7Å; L1719-L1793 VanDerWaalsContact CD1-CD2 3.5Å; L1719-T1796 HydrophobicContact CB-CG2 4.01Å; L1719-T1796 HydrophobicContact CD1-CG2 4.29Å; L1719-Y1797 HydrophobicContact CD1-CD1 4.43Å; L1719-Y1797 HydrophobicContact CD1-CD2 4.32Å; L1719-Y1797 HydrophobicContact CD1-CE1 3.82Å; L1719-Y1797 HydrophobicContact CD1-CE2 3.69Å; L1719-Y1797 VanDerWaalsContact CD1-CZ 3.43Å; L1719-Y1797 WeakPolarHBondContact CD1-OH 3.38Å; L1719-Y1797 HydrophobicContact CD2-CE1 3.99Å; L1719-L1800 HydrophobicContact CD2-CD1 4.24Å |
| 1720 | L | 92.1 | Very high | 86 | Confident | 73 Ų | 73 | 40.4 Ų | 40.4 | 38% | 0.382 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54.5 | -48.2 | 176.6 | 175.3 | 66.3 | 0 | 0 | 0 | 112 | A1716 R1717 A1718 E1723 L1724 | A1716-L1720 PolarHBondContact O-N 3.18Å; A1716-L1720 VanDerWaalsContact O-N 3.1Å; R1717-L1720 WeakPolarHBondContact O-CB 3.44Å; R1717-L1720 PolarHBondContact O-N 3.28Å; A1718-L1720 PolarHBondContact O-N 3.24Å; L1720-E1723 PolarHBondContact O-N 3.21Å; L1720-L1724 HydrophobicContact CD1-CD1 4.22Å; L1720-L1724 HydrophobicContact CD1-CG 4.39Å; L1720-L1724 HydrophobicContact CG-CD1 4.15Å; L1720-L1724 VanDerWaalsContact O-CG 3.3Å; L1720-L1724 WeakPolarHBondContact O-CG 3.36Å; L1720-L1724 PolarHBondContact O-N 3.23Å; L1720-L1724 VanDerWaalsContact O-N 3.09Å |
| 1721 | H | 91.8 | Very high | 85.4 | Confident | 1.8 Ų | 1.8 | 41.1 Ų | 41.1 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74 | -30.2 | -177.7 | -74.1 | -67.2 | 0 | 0 | 0 | 113.3 | N1702 Q1705 A1706 R1717 A1718 L1719 E1723 L1724 A1725 | N1702-H1721 PolarHBondContact OD1-ND1 3.28Å; Q1705-H1721 HydrophobicContact CB-CB 4.27Å; Q1705-H1721 PolarHBondContact OE1-CE1 3.05Å; Q1705-H1721 PolarHBondContact OE1-NE2 3.14Å; A1706-H1721 HydrophobicContact CB-CB 3.69Å; R1717-H1721 PolarHBondContact O-CD2 3.19Å; R1717-H1721 PolarHBondContact O-N 3.27Å; R1717-H1721 VanDerWaalsContact O-N 3.08Å; A1718-H1721 PolarHBondContact O-N 3Å; L1719-H1721 VanDerWaalsContact C-N 3.33Å; L1719-H1721 PolarHBondContact O-N 3.18Å; H1721-E1723 VanDerWaalsContact C-N 3.27Å; H1721-E1723 PolarHBondContact O-N 3.37Å; H1721-L1724 PolarHBondContact O-N 3.32Å; H1721-A1725 VanDerWaalsContact O-CB 3.25Å; H1721-A1725 WeakPolarHBondContact O-CB 3.31Å; H1721-A1725 PolarHBondContact O-N 2.95Å |
| 1722 | W | 91 | Very high | 84.9 | Confident | 4.6 Ų | 4.6 | 38.6 Ų | 38.6 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 170.9 | -74 | 127.3 | 0 | 0 | 0 | 111.3 | L1703 A1706 K1707 L1710 A1718 L1719 A1725 Y1726 T1788 I1789 G1792 L1793 T1796 | L1703-W1722 HydrophobicContact CD1-CE3 4.24Å; L1703-W1722 HydrophobicContact CD1-CH2 4.1Å; L1703-W1722 HydrophobicContact CD1-CZ3 3.4Å; A1706-W1722 HydrophobicContact CB-CB 4.47Å; A1706-W1722 HydrophobicContact CB-CD2 3.36Å; A1706-W1722 VanDerWaalsContact CB-CD2 3.43Å; A1706-W1722 VanDerWaalsContact CB-CE2 3.47Å; A1706-W1722 HydrophobicContact CB-CE3 3.7Å; A1706-W1722 HydrophobicContact CB-CG 3.74Å; A1706-W1722 HydrophobicContact CB-CH2 4.28Å; A1706-W1722 HydrophobicContact CB-CZ2 3.94Å; A1706-W1722 HydrophobicContact CB-CZ3 4.17Å; K1707-W1722 HydrophobicContact CG-CH2 3.62Å; K1707-W1722 HydrophobicContact CG-CZ2 4.01Å; L1710-W1722 HydrophobicContact CD2-CZ2 4.31Å; A1718-W1722 VanDerWaalsContact C-CD1 3.46Å; A1718-W1722 WeakPolarHBondContact O-CB 3.35Å; A1718-W1722 VanDerWaalsContact O-CG 3.29Å; A1718-W1722 PolarHBondContact O-N 3.24Å; L1719-W1722 PolarHBondContact O-N 3.1Å; L1719-W1722 VanDerWaalsContact O-N 3.16Å; W1722-A1725 PolarHBondContact O-N 3.17Å; W1722-Y1726 WeakPolarHBondContact O-CB 3.39Å; W1722-Y1726 PolarHBondContact O-N 3.14Å; W1722-T1788 HydrophobicContact CH2-CG2 4.42Å; W1722-I1789 HydrophobicContact CB-CG2 4.35Å; W1722-I1789 HydrophobicContact CE3-CB 4.08Å; W1722-I1789 HydrophobicContact CE3-CG1 3.98Å; W1722-I1789 HydrophobicContact CE3-CG2 3.98Å; W1722-I1789 HydrophobicContact CZ3-CB 4.24Å; W1722-I1789 HydrophobicContact CZ3-CG1 4.04Å; W1722-I1789 VanDerWaalsContact O-CG2 3.27Å; W1722-I1789 WeakPolarHBondContact O-CG2 3.29Å; W1722-G1792 VanDerWaalsContact CZ2-CA 3.48Å; W1722-G1792 PolarHBondContact NE1-O 2.94Å; W1722-L1793 HydrophobicContact CB-CD2 3.43Å; W1722-L1793 VanDerWaalsContact CB-CD2 3.43Å; W1722-L1793 HydrophobicContact CB-CG 3.8Å; W1722-L1793 HydrophobicContact CG-CD2 4.18Å; W1722-L1793 HydrophobicContact CG-CG 4.32Å; W1722-T1796 PolarHBondContact NE1-OG1 3.48Å; W1722-T1796 VanDerWaalsContact NE1-OG1 3.16Å |
| 1723 | E | 89.5 | Confident | 84.3 | Confident | 83.2 Ų | 83.2 | 42.5 Ų | 42.5 | 39% | 0.389 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.7 | -70.9 | -179.1 | 174.7 | 0 | 0 | 112.2 | L1719 L1720 H1721 Y1726 G1727 L1793 | L1719-E1723 HydrophobicContact CD1-CG 4.36Å; L1719-E1723 WeakPolarHBondContact O-CG 3.36Å; L1719-E1723 PolarHBondContact O-N 3.26Å; L1720-E1723 PolarHBondContact O-N 3.21Å; H1721-E1723 VanDerWaalsContact C-N 3.27Å; H1721-E1723 PolarHBondContact O-N 3.37Å; E1723-Y1726 VanDerWaalsContact O-CB 3.31Å; E1723-Y1726 WeakPolarHBondContact O-CB 3.41Å; E1723-Y1726 PolarHBondContact O-N 3.17Å; E1723-G1727 PolarHBondContact O-N 3.06Å; E1723-L1793 HydrophobicContact CG-CD2 4.43Å |
| 1724 | L | 90.2 | Very high | 83.7 | Confident | 75.2 Ų | 75.2 | 46.2 Ų | 46.2 | 39% | 0.394 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 174.5 | -69.8 | 173.6 | 0 | 0 | 0 | 111.7 | N1702 L1720 H1721 Y1726 G1727 E1728 | N1702-L1724 HydrophobicContact CB-CB 4.32Å; L1720-L1724 HydrophobicContact CD1-CD1 4.22Å; L1720-L1724 HydrophobicContact CD1-CG 4.39Å; L1720-L1724 HydrophobicContact CG-CD1 4.15Å; L1720-L1724 VanDerWaalsContact O-CG 3.3Å; L1720-L1724 WeakPolarHBondContact O-CG 3.36Å; L1720-L1724 PolarHBondContact O-N 3.23Å; L1720-L1724 VanDerWaalsContact O-N 3.09Å; H1721-L1724 PolarHBondContact O-N 3.32Å; L1724-Y1726 VanDerWaalsContact C-N 3.3Å; L1724-Y1726 PolarHBondContact O-N 3.19Å; L1724-G1727 CarbonylContact O-C 3.55Å; L1724-G1727 WeakPolarHBondContact O-CA 3.33Å; L1724-G1727 PolarHBondContact O-N 3.08Å; L1724-G1727 VanDerWaalsContact O-N 3.11Å; L1724-E1728 WeakPolarHBondContact O-CG 3.33Å; L1724-E1728 PolarHBondContact O-N 3.13Å; L1724-E1728 VanDerWaalsContact O-N 3.11Å |
| 1725 | A | 87.6 | Confident | 82.8 | Confident | 4.6 Ų | 4.6 | 46.3 Ų | 46.3 | 4% | 0.038 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.1 | -37.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1702 L1703 H1721 W1722 G1727 E1728 D1729 I1789 | N1702-A1725 HydrophobicContact CB-CB 3.91Å; L1703-A1725 HydrophobicContact CB-CB 4.39Å; H1721-A1725 VanDerWaalsContact O-CB 3.25Å; H1721-A1725 WeakPolarHBondContact O-CB 3.31Å; H1721-A1725 PolarHBondContact O-N 2.95Å; W1722-A1725 PolarHBondContact O-N 3.17Å; A1725-G1727 VanDerWaalsContact C-N 3.32Å; A1725-E1728 WeakPolarHBondContact O-CB 3.46Å; A1725-E1728 PolarHBondContact O-N 3.18Å; A1725-D1729 PolarHBondContact O-N 3.12Å; A1725-I1789 HydrophobicContact CB-CD1 3.98Å; A1725-I1789 HydrophobicContact CB-CG1 4.26Å; A1725-I1789 WeakPolarHBondContact O-CD1 3.43Å |
| 1726 | Y | 84 | Confident | 81.8 | Confident | 44.8 Ų | 44.8 | 45.4 Ų | 45.4 | 18% | 0.176 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 173.1 | -165 | -96.4 | 0 | 0 | 0 | 111.6 | W1722 E1723 L1724 E1728 D1729 A1732 A1736 A1742 L1782 I1789 L1790 | W1722-Y1726 WeakPolarHBondContact O-CB 3.39Å; W1722-Y1726 PolarHBondContact O-N 3.14Å; E1723-Y1726 VanDerWaalsContact O-CB 3.31Å; E1723-Y1726 WeakPolarHBondContact O-CB 3.41Å; E1723-Y1726 PolarHBondContact O-N 3.17Å; L1724-Y1726 VanDerWaalsContact C-N 3.3Å; L1724-Y1726 PolarHBondContact O-N 3.19Å; Y1726-E1728 VanDerWaalsContact C-N 3.33Å; Y1726-E1728 PolarHBondContact O-N 3.42Å; Y1726-D1729 PolarHBondContact O-N 3.16Å; Y1726-A1732 HydrophobicContact CD1-CB 4.38Å; Y1726-A1732 HydrophobicContact CD2-CB 4.14Å; Y1726-A1732 HydrophobicContact CE1-CB 3.99Å; Y1726-A1732 HydrophobicContact CE2-CB 3.93Å; Y1726-A1732 HydrophobicContact CG-CB 4.4Å; Y1726-A1732 PolarHBondContact OH-O 3.42Å; Y1726-A1732 VanDerWaalsContact OH-O 3.07Å; Y1726-A1736 HydrophobicContact CE1-CB 4.09Å; Y1726-A1736 WeakPolarHBondContact OH-CB 3.36Å; Y1726-A1742 HydrophobicContact CE1-CB 3.62Å; Y1726-A1742 WeakPolarHBondContact OH-CB 3.47Å; Y1726-L1782 HydrophobicContact CE2-CD2 4.47Å; Y1726-I1789 HydrophobicContact CD2-CB 4.42Å; Y1726-I1789 HydrophobicContact CD2-CG2 3.83Å; Y1726-I1789 HydrophobicContact CG-CG2 4.35Å; Y1726-L1790 HydrophobicContact CD2-CD2 4.49Å; Y1726-L1790 HydrophobicContact CE2-CD2 4.06Å; Y1726-L1790 HydrophobicContact CE2-CG 4.38Å |
| 1727 | G | 82.6 | Confident | 80.7 | Confident | 36.2 Ų | 36.2 | 48.5 Ų | 48.5 | 37% | 0.373 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.1 | -28.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1723 L1724 A1725 Q1733 | E1723-G1727 PolarHBondContact O-N 3.06Å; L1724-G1727 CarbonylContact O-C 3.55Å; L1724-G1727 WeakPolarHBondContact O-CA 3.33Å; L1724-G1727 PolarHBondContact O-N 3.08Å; L1724-G1727 VanDerWaalsContact O-N 3.11Å; A1725-G1727 VanDerWaalsContact C-N 3.32Å; G1727-Q1733 VanDerWaalsContact O-CD 3.25Å; G1727-Q1733 VanDerWaalsContact O-CG 3.26Å; G1727-Q1733 WeakPolarHBondContact O-CG 3.49Å; G1727-Q1733 PolarHBondContact O-NE2 2.93Å |
| 1728 | E | 82.4 | Confident | 79.4 | Confident | 111.6 Ų | 111.6 | 49.5 Ų | 49.5 | 52% | 0.521 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -80 | -26.7 | 177.6 | -72.4 | 171.9 | 167.7 | 0 | 0 | 113.1 | N1702 L1724 A1725 Y1726 T1730 | N1702-E1728 PolarHBondContact ND2-OE1 3.13Å; N1702-E1728 PolarHBondContact ND2-OE2 3.21Å; N1702-E1728 VanDerWaalsContact ND2-OE2 3.12Å; L1724-E1728 WeakPolarHBondContact O-CG 3.33Å; L1724-E1728 PolarHBondContact O-N 3.13Å; L1724-E1728 VanDerWaalsContact O-N 3.11Å; A1725-E1728 WeakPolarHBondContact O-CB 3.46Å; A1725-E1728 PolarHBondContact O-N 3.18Å; Y1726-E1728 VanDerWaalsContact C-N 3.33Å; Y1726-E1728 PolarHBondContact O-N 3.42Å; E1728-T1730 PolarHBondContact O-N 3.11Å; E1728-T1730 VanDerWaalsContact O-N 3.12Å |
| 1729 | D | 79.1 | Confident | 78 | Confident | 23.6 Ų | 23.6 | 50.7 Ų | 50.7 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | trans | -77.7 | 100.8 | -179.4 | -170.4 | -17.8 | 0 | 0 | 0 | 111.3 | A1725 Y1726 V1731 A1732 Q1733 T1785 G1786 | A1725-D1729 PolarHBondContact O-N 3.12Å; Y1726-D1729 PolarHBondContact O-N 3.16Å; D1729-V1731 PolarHBondContact O-N 3.31Å; D1729-V1731 WeakPolarHBondContact OD1-CB 3.38Å; D1729-V1731 PolarHBondContact OD1-N 3.26Å; D1729-A1732 HydrophobicContact CB-CB 3.81Å; D1729-A1732 WeakPolarHBondContact O-CB 3.3Å; D1729-A1732 PolarHBondContact O-N 2.91Å; D1729-A1732 VanDerWaalsContact O-N 3.08Å; D1729-A1732 PolarHBondContact OD1-N 3.33Å; D1729-A1732 VanDerWaalsContact OD1-N 3.11Å; D1729-Q1733 PolarHBondContact O-N 3.2Å; D1729-Q1733 VanDerWaalsContact O-N 3.1Å; D1729-T1785 WeakPolarHBondContact OD2-CB 3.35Å; D1729-T1785 PolarHBondContact OD2-OG1 3.27Å; D1729-G1786 PolarHBondContact OD2-N 3.06Å | ||
| 1730 | T | 74.8 | Confident | 76.5 | Confident | 88.4 Ų | 88.4 | 50.6 Ų | 50.6 | 54% | 0.542 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.5 | -32.1 | 178.6 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | E1728 Q1733 Q1734 | E1728-T1730 PolarHBondContact O-N 3.11Å; E1728-T1730 VanDerWaalsContact O-N 3.12Å; T1730-Q1733 PolarHBondContact O-N 2.95Å; T1730-Q1734 WeakPolarHBondContact O-CB 3.42Å; T1730-Q1734 VanDerWaalsContact O-CG 3.24Å; T1730-Q1734 WeakPolarHBondContact O-CG 3.42Å; T1730-Q1734 PolarHBondContact O-N 3.13Å; T1730-Q1734 VanDerWaalsContact O-N 3.15Å |
| 1731 | V | 72.3 | Confident | 74.8 | Confident | 43.6 Ų | 43.6 | 48.7 Ų | 48.7 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.8 | -40.9 | 178.8 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | D1729 Q1734 S1735 N1780 G1781 | D1729-V1731 PolarHBondContact O-N 3.31Å; D1729-V1731 WeakPolarHBondContact OD1-CB 3.38Å; D1729-V1731 PolarHBondContact OD1-N 3.26Å; V1731-Q1734 PolarHBondContact O-N 3.09Å; V1731-S1735 VanDerWaalsContact O-CB 3.29Å; V1731-S1735 WeakPolarHBondContact O-CB 3.29Å; V1731-S1735 PolarHBondContact O-N 3Å; V1731-S1735 PolarHBondContact O-OG 3.19Å; V1731-N1780 HydrophobicContact CG1-CB 4.4Å; V1731-G1781 WeakPolarHBondContact CG1-O 3.27Å |
| 1732 | A | 70.3 | Confident | 72.9 | Confident | 0.4 Ų | 0.4 | 50.3 Ų | 50.3 | 0% | 0.003 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1726 D1729 Q1734 S1735 A1736 A1742 L1782 | Y1726-A1732 HydrophobicContact CD1-CB 4.38Å; Y1726-A1732 HydrophobicContact CD2-CB 4.14Å; Y1726-A1732 HydrophobicContact CE1-CB 3.99Å; Y1726-A1732 HydrophobicContact CE2-CB 3.93Å; Y1726-A1732 HydrophobicContact CG-CB 4.4Å; Y1726-A1732 PolarHBondContact OH-O 3.42Å; Y1726-A1732 VanDerWaalsContact OH-O 3.07Å; D1729-A1732 HydrophobicContact CB-CB 3.81Å; D1729-A1732 WeakPolarHBondContact O-CB 3.3Å; D1729-A1732 PolarHBondContact O-N 2.91Å; D1729-A1732 VanDerWaalsContact O-N 3.08Å; D1729-A1732 PolarHBondContact OD1-N 3.33Å; D1729-A1732 VanDerWaalsContact OD1-N 3.11Å; A1732-Q1734 PolarHBondContact O-N 2.93Å; A1732-S1735 PolarHBondContact O-N 2.94Å; A1732-S1735 PolarHBondContact O-OG 2.99Å; A1732-A1736 VanDerWaalsContact O-CB 3.24Å; A1732-A1736 WeakPolarHBondContact O-CB 3.4Å; A1732-A1736 PolarHBondContact O-N 3.11Å; A1732-A1742 HydrophobicContact CB-CB 4Å; A1732-A1742 WeakPolarHBondContact O-CB 3.3Å; A1732-L1782 HydrophobicContact CB-CD1 4.05Å |
| 1733 | Q | 70 | Confident | 71 | Confident | 99.2 Ų | 99.2 | 53 Ų | 53 | 46% | 0.464 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 176.3 | -71.1 | -171.1 | -11.4 | 0 | 0 | 113.1 | G1727 D1729 T1730 S1735 A1736 F1737 | G1727-Q1733 VanDerWaalsContact O-CD 3.25Å; G1727-Q1733 VanDerWaalsContact O-CG 3.26Å; G1727-Q1733 WeakPolarHBondContact O-CG 3.49Å; G1727-Q1733 PolarHBondContact O-NE2 2.93Å; D1729-Q1733 PolarHBondContact O-N 3.2Å; D1729-Q1733 VanDerWaalsContact O-N 3.1Å; T1730-Q1733 PolarHBondContact O-N 2.95Å; Q1733-S1735 VanDerWaalsContact C-N 3.32Å; Q1733-S1735 PolarHBondContact O-N 3.07Å; Q1733-A1736 WeakPolarHBondContact O-CB 3.48Å; Q1733-A1736 PolarHBondContact O-N 3.24Å; Q1733-F1737 VanDerWaalsContact O-CB 3.31Å; Q1733-F1737 WeakPolarHBondContact O-CB 3.41Å; Q1733-F1737 PolarHBondContact O-N 3.06Å |
| 1734 | Q | 67.5 | Low | 69.1 | Low | 99 Ų | 99 | 53.1 Ų | 53.1 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 177.5 | -75.4 | 175.8 | 3.8 | 0 | 0 | 111 | T1730 V1731 A1732 A1736 F1737 V1738 F1778 | T1730-Q1734 WeakPolarHBondContact O-CB 3.42Å; T1730-Q1734 VanDerWaalsContact O-CG 3.24Å; T1730-Q1734 WeakPolarHBondContact O-CG 3.42Å; T1730-Q1734 PolarHBondContact O-N 3.13Å; T1730-Q1734 VanDerWaalsContact O-N 3.15Å; V1731-Q1734 PolarHBondContact O-N 3.09Å; A1732-Q1734 PolarHBondContact O-N 2.93Å; Q1734-A1736 VanDerWaalsContact C-N 3.32Å; Q1734-A1736 PolarHBondContact O-N 3.11Å; Q1734-F1737 WeakPolarHBondContact O-CB 3.43Å; Q1734-F1737 PolarHBondContact O-N 3.09Å; Q1734-V1738 WeakPolarHBondContact O-CB 3.18Å; Q1734-V1738 VanDerWaalsContact O-CG2 3.28Å; Q1734-V1738 WeakPolarHBondContact O-CG2 3.33Å; Q1734-V1738 PolarHBondContact O-N 2.92Å; Q1734-F1778 HydrophobicContact CG-CE1 4.43Å |
| 1735 | S | 65.7 | Low | 67.1 | Low | 14 Ų | 14 | 57.1 Ų | 57.1 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.3 | 92.4 | 0 | 0 | 0 | 0 | 112 | V1731 A1732 Q1733 F1737 V1738 T1739 T1741 A1742 L1782 | V1731-S1735 VanDerWaalsContact O-CB 3.29Å; V1731-S1735 WeakPolarHBondContact O-CB 3.29Å; V1731-S1735 PolarHBondContact O-N 3Å; V1731-S1735 PolarHBondContact O-OG 3.19Å; A1732-S1735 PolarHBondContact O-N 2.94Å; A1732-S1735 PolarHBondContact O-OG 2.99Å; Q1733-S1735 VanDerWaalsContact C-N 3.32Å; Q1733-S1735 PolarHBondContact O-N 3.07Å; S1735-F1737 VanDerWaalsContact C-N 3.29Å; S1735-F1737 PolarHBondContact O-N 2.88Å; S1735-V1738 PolarHBondContact O-N 3.13Å; S1735-T1739 VanDerWaalsContact O-CB 3.29Å; S1735-T1739 WeakPolarHBondContact O-CB 3.4Å; S1735-T1739 VanDerWaalsContact O-CG2 3.28Å; S1735-T1739 WeakPolarHBondContact O-CG2 3.26Å; S1735-T1739 PolarHBondContact O-N 3.12Å; S1735-T1739 PolarHBondContact O-OG1 3.35Å; S1735-T1739 VanDerWaalsContact O-OG1 3.09Å; S1735-T1741 CarbonylContact C-O 3.52Å; S1735-T1741 PolarHBondContact OG-O 2.93Å; S1735-A1742 WeakPolarHBondContact CB-O 3.49Å; S1735-A1742 PolarHBondContact OG-O 3.47Å; S1735-L1782 VanDerWaalsContact OG-CD1 3.22Å; S1735-L1782 WeakPolarHBondContact OG-CD1 3.34Å |
| 1736 | A | 66.2 | Low | 64.9 | Low | 30.6 Ų | 30.6 | 59.4 Ų | 59.4 | 25% | 0.253 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y1726 A1732 Q1733 Q1734 V1738 T1739 G1740 T1741 A1742 | Y1726-A1736 HydrophobicContact CE1-CB 4.09Å; Y1726-A1736 WeakPolarHBondContact OH-CB 3.36Å; A1732-A1736 VanDerWaalsContact O-CB 3.24Å; A1732-A1736 WeakPolarHBondContact O-CB 3.4Å; A1732-A1736 PolarHBondContact O-N 3.11Å; Q1733-A1736 WeakPolarHBondContact O-CB 3.48Å; Q1733-A1736 PolarHBondContact O-N 3.24Å; Q1734-A1736 VanDerWaalsContact C-N 3.32Å; Q1734-A1736 PolarHBondContact O-N 3.11Å; A1736-V1738 VanDerWaalsContact C-N 3.26Å; A1736-V1738 PolarHBondContact O-N 2.98Å; A1736-T1739 VanDerWaalsContact C-OG1 3.29Å; A1736-T1739 VanDerWaalsContact CA-OG1 3.23Å; A1736-T1739 WeakPolarHBondContact CA-OG1 3.47Å; A1736-T1739 PolarHBondContact O-N 3.1Å; A1736-T1739 PolarHBondContact O-OG1 2.83Å; A1736-G1740 CarbonylContact O-C 3.6Å; A1736-G1740 WeakPolarHBondContact O-CA 3.19Å; A1736-G1740 PolarHBondContact O-N 3.21Å; A1736-T1741 WeakPolarHBondContact CA-O 3.15Å; A1736-T1741 PolarHBondContact N-O 3.44Å; A1736-A1742 HydrophobicContact CB-CB 4.44Å |
| 1737 | F | 66.7 | Low | 62.7 | Low | 128.2 Ų | 128.2 | 62.4 Ų | 62.4 | 56% | 0.562 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.8 | -41.6 | 175.5 | -178.6 | -99.6 | 0 | 0 | 0 | 112.1 | Q1733 Q1734 S1735 T1739 G1740 T1741 | Q1733-F1737 VanDerWaalsContact O-CB 3.31Å; Q1733-F1737 WeakPolarHBondContact O-CB 3.41Å; Q1733-F1737 PolarHBondContact O-N 3.06Å; Q1734-F1737 WeakPolarHBondContact O-CB 3.43Å; Q1734-F1737 PolarHBondContact O-N 3.09Å; S1735-F1737 VanDerWaalsContact C-N 3.29Å; S1735-F1737 PolarHBondContact O-N 2.88Å; F1737-T1739 VanDerWaalsContact C-N 3.31Å; F1737-T1739 PolarHBondContact O-N 2.99Å; F1737-G1740 PolarHBondContact O-N 3.04Å; F1737-T1741 HydrophobicContact CD1-CG2 4.14Å; F1737-T1741 HydrophobicContact CD2-CG2 4.44Å; F1737-T1741 HydrophobicContact CE1-CG2 3.74Å; F1737-T1741 HydrophobicContact CE2-CG2 4.17Å; F1737-T1741 HydrophobicContact CG-CG2 4.45Å; F1737-T1741 HydrophobicContact CZ-CG2 3.76Å; F1737-T1741 WeakPolarHBondContact O-CB 3.41Å; F1737-T1741 VanDerWaalsContact O-CG2 3.28Å; F1737-T1741 WeakPolarHBondContact O-CG2 3.34Å; F1737-T1741 PolarHBondContact O-N 3.1Å; F1737-T1741 PolarHBondContact O-OG1 3Å; F1737-T1741 VanDerWaalsContact O-OG1 3.07Å |
| 1738 | V | 62.2 | Low | 60.7 | Low | 51.6 Ų | 51.6 | 65.6 Ų | 65.6 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 177 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | Q1734 S1735 A1736 T1741 A1742 F1778 | Q1734-V1738 WeakPolarHBondContact O-CB 3.18Å; Q1734-V1738 VanDerWaalsContact O-CG2 3.28Å; Q1734-V1738 WeakPolarHBondContact O-CG2 3.33Å; Q1734-V1738 PolarHBondContact O-N 2.92Å; S1735-V1738 PolarHBondContact O-N 3.13Å; A1736-V1738 VanDerWaalsContact C-N 3.26Å; A1736-V1738 PolarHBondContact O-N 2.98Å; V1738-T1741 WeakPolarHBondContact CA-OG1 3.35Å; V1738-T1741 PolarHBondContact O-N 2.93Å; V1738-T1741 PolarHBondContact O-OG1 3.22Å; V1738-T1741 VanDerWaalsContact O-OG1 3.11Å; V1738-A1742 VanDerWaalsContact O-CB 3.22Å; V1738-A1742 WeakPolarHBondContact O-CB 3.34Å; V1738-A1742 PolarHBondContact O-N 3.12Å; V1738-F1778 HydrophobicContact CG2-CB 4.37Å; V1738-F1778 HydrophobicContact CG2-CE1 4.06Å; V1738-F1778 HydrophobicContact CG2-CG 4.39Å |
| 1739 | T | 59.8 | Low | 58.5 | Low | 25.2 Ų | 25.2 | 66.3 Ų | 66.3 | 16% | 0.155 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73 | -40 | 178.9 | 19.4 | 0 | 0 | 0 | 0 | 111.6 | S1735 A1736 F1737 T1741 A1742 I1743 C1744 L1815 A1819 | S1735-T1739 VanDerWaalsContact O-CB 3.29Å; S1735-T1739 WeakPolarHBondContact O-CB 3.4Å; S1735-T1739 VanDerWaalsContact O-CG2 3.28Å; S1735-T1739 WeakPolarHBondContact O-CG2 3.26Å; S1735-T1739 PolarHBondContact O-N 3.12Å; S1735-T1739 PolarHBondContact O-OG1 3.35Å; S1735-T1739 VanDerWaalsContact O-OG1 3.09Å; A1736-T1739 VanDerWaalsContact C-OG1 3.29Å; A1736-T1739 VanDerWaalsContact CA-OG1 3.23Å; A1736-T1739 WeakPolarHBondContact CA-OG1 3.47Å; A1736-T1739 PolarHBondContact O-N 3.1Å; A1736-T1739 PolarHBondContact O-OG1 2.83Å; F1737-T1739 VanDerWaalsContact C-N 3.31Å; F1737-T1739 PolarHBondContact O-N 2.99Å; T1739-T1741 PolarHBondContact O-N 3.47Å; T1739-T1741 PolarHBondContact OG1-N 3.36Å; T1739-T1741 PolarHBondContact OG1-O 3Å; T1739-T1741 PolarHBondContact OG1-OG1 3.36Å; T1739-A1742 WeakPolarHBondContact O-CB 3.45Å; T1739-A1742 PolarHBondContact O-N 3.2Å; T1739-I1743 HydrophobicContact CG2-CD1 4.46Å; T1739-I1743 VanDerWaalsContact O-CD1 3.24Å; T1739-I1743 WeakPolarHBondContact O-CD1 3.3Å; T1739-I1743 VanDerWaalsContact O-CG1 3.23Å; T1739-I1743 WeakPolarHBondContact O-CG1 3.46Å; T1739-I1743 PolarHBondContact O-N 3.17Å; T1739-I1743 VanDerWaalsContact O-N 3.12Å; T1739-C1744 PolarHBondContact OG1-SG 2.85Å; T1739-L1815 HydrophobicContact CG2-CB 3.41Å; T1739-L1815 VanDerWaalsContact CG2-CB 3.47Å; T1739-L1815 HydrophobicContact CG2-CD1 3.88Å; T1739-L1815 HydrophobicContact CG2-CG 4.26Å; T1739-A1819 HydrophobicContact CG2-CB 3.61Å |
| 1740 | G | 60.2 | Low | 56.3 | Low | 23.8 Ų | 23.8 | 73.1 Ų | 73.1 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -51.2 | -36.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1736 F1737 A1742 I1743 C1744 | A1736-G1740 CarbonylContact O-C 3.6Å; A1736-G1740 WeakPolarHBondContact O-CA 3.19Å; A1736-G1740 PolarHBondContact O-N 3.21Å; F1737-G1740 PolarHBondContact O-N 3.04Å; G1740-A1742 VanDerWaalsContact C-N 3.35Å; G1740-I1743 WeakPolarHBondContact O-CB 3.25Å; G1740-I1743 PolarHBondContact O-N 3.15Å; G1740-C1744 PolarHBondContact O-N 3.09Å; G1740-C1744 PolarHBondContact O-SG 3.15Å; G1740-C1744 VanDerWaalsContact O-SG 3.38Å |
| 1741 | T | 56.3 | Low | 54.4 | Low | 32.2 Ų | 32.2 | 74.6 Ų | 74.6 | 20% | 0.198 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -81.3 | -33.7 | 177 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | S1735 A1736 F1737 V1738 T1739 I1743 C1744 R1745 | S1735-T1741 CarbonylContact C-O 3.52Å; S1735-T1741 PolarHBondContact OG-O 2.93Å; A1736-T1741 WeakPolarHBondContact CA-O 3.15Å; A1736-T1741 PolarHBondContact N-O 3.44Å; F1737-T1741 HydrophobicContact CD1-CG2 4.14Å; F1737-T1741 HydrophobicContact CD2-CG2 4.44Å; F1737-T1741 HydrophobicContact CE1-CG2 3.74Å; F1737-T1741 HydrophobicContact CE2-CG2 4.17Å; F1737-T1741 HydrophobicContact CG-CG2 4.45Å; F1737-T1741 HydrophobicContact CZ-CG2 3.76Å; F1737-T1741 WeakPolarHBondContact O-CB 3.41Å; F1737-T1741 VanDerWaalsContact O-CG2 3.28Å; F1737-T1741 WeakPolarHBondContact O-CG2 3.34Å; F1737-T1741 PolarHBondContact O-N 3.1Å; F1737-T1741 PolarHBondContact O-OG1 3Å; F1737-T1741 VanDerWaalsContact O-OG1 3.07Å; V1738-T1741 WeakPolarHBondContact CA-OG1 3.35Å; V1738-T1741 PolarHBondContact O-N 2.93Å; V1738-T1741 PolarHBondContact O-OG1 3.22Å; V1738-T1741 VanDerWaalsContact O-OG1 3.11Å; T1739-T1741 PolarHBondContact O-N 3.47Å; T1739-T1741 PolarHBondContact OG1-N 3.36Å; T1739-T1741 PolarHBondContact OG1-O 3Å; T1739-T1741 PolarHBondContact OG1-OG1 3.36Å; T1741-I1743 VanDerWaalsContact C-N 3.29Å; T1741-I1743 PolarHBondContact O-N 3.29Å; T1741-C1744 PolarHBondContact O-N 3.05Å; T1741-C1744 PolarHBondContact OG1-SG 2.88Å; T1741-R1745 VanDerWaalsContact O-CB 3.31Å; T1741-R1745 WeakPolarHBondContact O-CB 3.37Å; T1741-R1745 VanDerWaalsContact O-CG 3.3Å; T1741-R1745 WeakPolarHBondContact O-CG 3.41Å; T1741-R1745 PolarHBondContact O-N 3.06Å |
| 1742 | A | 53.3 | Low | 52.5 | Low | 35.8 Ų | 35.8 | 78.8 Ų | 78.8 | 30% | 0.296 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.6 | -34.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1726 A1732 S1735 A1736 V1738 T1739 G1740 R1745 S1746 | Y1726-A1742 HydrophobicContact CE1-CB 3.62Å; Y1726-A1742 WeakPolarHBondContact OH-CB 3.47Å; A1732-A1742 HydrophobicContact CB-CB 4Å; A1732-A1742 WeakPolarHBondContact O-CB 3.3Å; S1735-A1742 WeakPolarHBondContact CB-O 3.49Å; S1735-A1742 PolarHBondContact OG-O 3.47Å; A1736-A1742 HydrophobicContact CB-CB 4.44Å; V1738-A1742 VanDerWaalsContact O-CB 3.22Å; V1738-A1742 WeakPolarHBondContact O-CB 3.34Å; V1738-A1742 PolarHBondContact O-N 3.12Å; T1739-A1742 WeakPolarHBondContact O-CB 3.45Å; T1739-A1742 PolarHBondContact O-N 3.2Å; G1740-A1742 VanDerWaalsContact C-N 3.35Å; A1742-R1745 PolarHBondContact O-N 3.05Å; A1742-S1746 VanDerWaalsContact O-CB 3.3Å; A1742-S1746 WeakPolarHBondContact O-CB 3.34Å; A1742-S1746 PolarHBondContact O-N 3.4Å; A1742-S1746 PolarHBondContact O-OG 3.17Å |
| 1743 | I | 50.8 | Low | 50.6 | Low | 62.2 Ų | 62.2 | 82.4 Ų | 82.4 | 32% | 0.319 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -77 | -44.6 | 175.4 | -63.1 | 161.2 | 0 | 0 | 0 | 110.5 | T1739 G1740 T1741 R1745 S1746 N1747 L1782 L1790 A1812 L1815 | T1739-I1743 HydrophobicContact CG2-CD1 4.46Å; T1739-I1743 VanDerWaalsContact O-CD1 3.24Å; T1739-I1743 WeakPolarHBondContact O-CD1 3.3Å; T1739-I1743 VanDerWaalsContact O-CG1 3.23Å; T1739-I1743 WeakPolarHBondContact O-CG1 3.46Å; T1739-I1743 PolarHBondContact O-N 3.17Å; T1739-I1743 VanDerWaalsContact O-N 3.12Å; G1740-I1743 WeakPolarHBondContact O-CB 3.25Å; G1740-I1743 PolarHBondContact O-N 3.15Å; T1741-I1743 VanDerWaalsContact C-N 3.29Å; T1741-I1743 PolarHBondContact O-N 3.29Å; I1743-R1745 VanDerWaalsContact C-N 3.31Å; I1743-R1745 PolarHBondContact O-N 3.21Å; I1743-S1746 PolarHBondContact O-N 3.06Å; I1743-S1746 VanDerWaalsContact O-N 3.15Å; I1743-S1746 PolarHBondContact O-OG 2.97Å; I1743-N1747 PolarHBondContact O-N 3.05Å; I1743-N1747 VanDerWaalsContact O-N 3.11Å; I1743-L1782 HydrophobicContact CD1-CD1 3.92Å; I1743-L1782 HydrophobicContact CD1-CD2 4.38Å; I1743-L1782 HydrophobicContact CG1-CD1 3.88Å; I1743-L1790 HydrophobicContact CD1-CD1 4.07Å; I1743-L1790 HydrophobicContact CD1-CD2 4.45Å; I1743-A1812 HydrophobicContact CD1-CB 3.77Å; I1743-L1815 HydrophobicContact CD1-CD1 3.69Å; I1743-L1815 HydrophobicContact CD1-CD2 3.86Å; I1743-L1815 HydrophobicContact CD1-CG 4.37Å; I1743-L1815 HydrophobicContact CG1-CD1 3.89Å; I1743-L1815 HydrophobicContact CG1-CD2 4.37Å; I1743-L1815 HydrophobicContact CG2-CB 3.44Å; I1743-L1815 VanDerWaalsContact CG2-CB 3.44Å; I1743-L1815 HydrophobicContact CG2-CD1 4.13Å; I1743-L1815 HydrophobicContact CG2-CG 4.43Å |
| 1744 | C | 49.7 | Very low | 48.7 | Very low | 84.4 Ų | 84.4 | 85.6 Ų | 85.6 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.9 | -29.8 | 178.2 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | T1739 G1740 T1741 S1746 | T1739-C1744 PolarHBondContact OG1-SG 2.85Å; G1740-C1744 PolarHBondContact O-N 3.09Å; G1740-C1744 PolarHBondContact O-SG 3.15Å; G1740-C1744 VanDerWaalsContact O-SG 3.38Å; T1741-C1744 PolarHBondContact O-N 3.05Å; T1741-C1744 PolarHBondContact OG1-SG 2.88Å; C1744-S1746 PolarHBondContact O-N 3.36Å |
| 1745 | R | 47.3 | Very low | 46.7 | Very low | 159.6 Ų | 159.6 | 86.6 Ų | 86.6 | 60% | 0.602 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -79 | -28.3 | 174.8 | -74.9 | 177 | 179.2 | 178.4 | -0.6 | 112.4 | T1741 A1742 I1743 N1747 T1748 L1815 | T1741-R1745 VanDerWaalsContact O-CB 3.31Å; T1741-R1745 WeakPolarHBondContact O-CB 3.37Å; T1741-R1745 VanDerWaalsContact O-CG 3.3Å; T1741-R1745 WeakPolarHBondContact O-CG 3.41Å; T1741-R1745 PolarHBondContact O-N 3.06Å; A1742-R1745 PolarHBondContact O-N 3.05Å; I1743-R1745 VanDerWaalsContact C-N 3.31Å; I1743-R1745 PolarHBondContact O-N 3.21Å; R1745-N1747 VanDerWaalsContact C-N 3.29Å; R1745-N1747 PolarHBondContact O-N 3.01Å; R1745-N1747 VanDerWaalsContact O-N 3.14Å; R1745-T1748 PolarHBondContact O-N 3.15Å; R1745-T1748 VanDerWaalsContact O-N 3.13Å; R1745-T1748 PolarHBondContact O-OG1 2.93Å; R1745-L1815 HydrophobicContact CB-CD2 4.29Å; R1745-L1815 HydrophobicContact CG-CD1 3.94Å; R1745-L1815 HydrophobicContact CG-CD2 3.27Å; R1745-L1815 HydrophobicContact CG-CG 4.25Å |
| 1746 | S | 41.9 | Very low | 45 | Very low | 52 Ų | 52 | 95.1 Ų | 95.1 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.5 | -6.3 | 178.8 | 66.9 | 0 | 0 | 0 | 0 | 113 | A1742 I1743 C1744 T1748 D1749 H1750 | A1742-S1746 VanDerWaalsContact O-CB 3.3Å; A1742-S1746 WeakPolarHBondContact O-CB 3.34Å; A1742-S1746 PolarHBondContact O-N 3.4Å; A1742-S1746 PolarHBondContact O-OG 3.17Å; I1743-S1746 PolarHBondContact O-N 3.06Å; I1743-S1746 VanDerWaalsContact O-N 3.15Å; I1743-S1746 PolarHBondContact O-OG 2.97Å; C1744-S1746 PolarHBondContact O-N 3.36Å; S1746-T1748 VanDerWaalsContact C-N 3.29Å; S1746-T1748 CarbonylContact O-C 3.6Å; S1746-T1748 PolarHBondContact O-N 3.08Å; S1746-T1748 VanDerWaalsContact O-N 3.16Å; S1746-D1749 PolarHBondContact O-N 3.22Å; S1746-H1750 PolarHBondContact O-N 3.23Å |
| 1747 | N | 37.1 | Very low | 43.2 | Very low | 108.4 Ų | 108.4 | 99.8 Ų | 99.8 | 58% | 0.58 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 3.1 | 173.4 | -88.1 | -5.1 | 0 | 0 | 0 | 115 | I1743 R1745 D1749 | I1743-N1747 PolarHBondContact O-N 3.05Å; I1743-N1747 VanDerWaalsContact O-N 3.11Å; R1745-N1747 VanDerWaalsContact C-N 3.29Å; R1745-N1747 PolarHBondContact O-N 3.01Å; R1745-N1747 VanDerWaalsContact O-N 3.14Å; N1747-D1749 VanDerWaalsContact C-N 3.31Å; N1747-D1749 PolarHBondContact O-N 3.23Å |
| 1748 | T | 40.1 | Very low | 41.5 | Very low | 104 Ų | 104 | 99.7 Ų | 99.7 | 64% | 0.638 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -2.9 | 168.1 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | R1745 S1746 H1750 | R1745-T1748 PolarHBondContact O-N 3.15Å; R1745-T1748 VanDerWaalsContact O-N 3.13Å; R1745-T1748 PolarHBondContact O-OG1 2.93Å; S1746-T1748 VanDerWaalsContact C-N 3.29Å; S1746-T1748 CarbonylContact O-C 3.6Å; S1746-T1748 PolarHBondContact O-N 3.08Å; S1746-T1748 VanDerWaalsContact O-N 3.16Å; T1748-H1750 WeakPolarHBondContact O-CB 3.31Å; T1748-H1750 PolarHBondContact O-CD2 3.47Å; T1748-H1750 VanDerWaalsContact O-CD2 3.28Å; T1748-H1750 VanDerWaalsContact O-CG 3.31Å; T1748-H1750 PolarHBondContact O-N 2.96Å |
| 1749 | D | 36.3 | Very low | 40.1 | Very low | 126.8 Ų | 126.8 | 102.6 Ų | 102.6 | 68% | 0.678 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -88.8 | 43.4 | 178.9 | -73.9 | -8.6 | 0 | 0 | 0 | 113.5 | S1746 N1747 T1751 L1752 | S1746-D1749 PolarHBondContact O-N 3.22Å; N1747-D1749 VanDerWaalsContact C-N 3.31Å; N1747-D1749 PolarHBondContact O-N 3.23Å; D1749-T1751 VanDerWaalsContact C-N 3.34Å; D1749-T1751 PolarHBondContact O-N 3.17Å; D1749-L1752 PolarHBondContact O-N 2.85Å |
| 1750 | H | 34 | Very low | 38.7 | Very low | 166 Ų | 166 | 108.3 Ų | 108.3 | 77% | 0.769 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -94.2 | 17.3 | 172.8 | -74.5 | -57.7 | 0 | 0 | 0 | 116.3 | S1746 T1748 L1752 | S1746-H1750 PolarHBondContact O-N 3.23Å; T1748-H1750 WeakPolarHBondContact O-CB 3.31Å; T1748-H1750 PolarHBondContact O-CD2 3.47Å; T1748-H1750 VanDerWaalsContact O-CD2 3.28Å; T1748-H1750 VanDerWaalsContact O-CG 3.31Å; T1748-H1750 PolarHBondContact O-N 2.96Å; H1750-L1752 PolarHBondContact O-N 2.99Å |
| 1751 | T | 34 | Very low | 37.2 | Very low | 119.6 Ų | 119.6 | 115.9 Ų | 115.9 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -91.3 | 48.4 | 169.1 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | D1749 | D1749-T1751 VanDerWaalsContact C-N 3.34Å; D1749-T1751 PolarHBondContact O-N 3.17Å |
| 1752 | L | 33.5 | Very low | 36 | Very low | 131.2 Ų | 131.2 | 121.2 Ų | 121.2 | 69% | 0.687 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -141.5 | 88.6 | 157.4 | -75.5 | 161.4 | 0 | 0 | 0 | 109.9 | D1749 H1750 F1754 | D1749-L1752 PolarHBondContact O-N 2.85Å; H1750-L1752 PolarHBondContact O-N 2.99Å; L1752-F1754 VanDerWaalsContact C-N 3.3Å; L1752-F1754 HydrophobicContact CB-CD2 3.95Å; L1752-F1754 HydrophobicContact CB-CE2 4.14Å; L1752-F1754 HydrophobicContact CD2-CD2 3.44Å; L1752-F1754 VanDerWaalsContact CD2-CD2 3.44Å; L1752-F1754 HydrophobicContact CD2-CE2 3.85Å; L1752-F1754 HydrophobicContact CG-CD2 4.37Å; L1752-F1754 WeakPolarHBondContact O-CD2 3.31Å; L1752-F1754 PolarHBondContact O-N 3.16Å |
| 1753 | G | 29.9 | Very low | 35 | Very low | 76.6 Ų | 76.6 | 122.9 Ų | 122.9 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | -23.3 | 36.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1754 | F | 29.9 | Very low | 34 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | trans | -104.2 | 79.3 | 174.2 | -72.9 | -68 | 0 | 0 | 0 | 110.8 | L1752 K1756 | L1752-F1754 VanDerWaalsContact C-N 3.3Å; L1752-F1754 HydrophobicContact CB-CD2 3.95Å; L1752-F1754 HydrophobicContact CB-CE2 4.14Å; L1752-F1754 HydrophobicContact CD2-CD2 3.44Å; L1752-F1754 VanDerWaalsContact CD2-CD2 3.44Å; L1752-F1754 HydrophobicContact CD2-CE2 3.85Å; L1752-F1754 HydrophobicContact CG-CD2 4.37Å; L1752-F1754 WeakPolarHBondContact O-CD2 3.31Å; L1752-F1754 PolarHBondContact O-N 3.16Å; F1754-K1756 VanDerWaalsContact C-N 3.33Å; F1754-K1756 PolarHBondContact O-N 3.27Å | ||
| 1755 | T | 26.2 | Very low | 33.2 | Very low | 120.6 Ų | 120.6 | 130.7 Ų | 130.7 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | trans | -71.8 | 101.8 | 167.3 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | T1757 | T1755-T1757 PolarHBondContact O-N 3.08Š| ||
| 1756 | K | 30.1 | Very low | 32.4 | Very low | 192.4 Ų | 192.4 | 128.4 Ų | 128.4 | 84% | 0.837 | 74% | 0.737 | S | S | * | * | trans | -85.8 | 105.1 | 159.1 | -83.9 | -175.4 | 176.8 | 177.8 | 0 | 107.8 | F1754 V1758 | F1754-K1756 VanDerWaalsContact C-N 3.33Å; F1754-K1756 PolarHBondContact O-N 3.27Å; K1756-V1758 HydrophobicContact CB-CG2 4.47Å; K1756-V1758 PolarHBondContact O-N 3.27Å; K1756-V1758 VanDerWaalsContact O-N 3.1Å | ||
| 1757 | T | 26.8 | Very low | 32 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | -50 | 106.3 | 162 | 48.3 | 0 | 0 | 0 | 0 | 108.8 | T1755 P1759 | T1755-T1757 PolarHBondContact O-N 3.08Å; T1757-P1759 VanDerWaalsContact O-CD 3.26Å; T1757-P1759 WeakPolarHBondContact O-CD 3.42Å | ||
| 1758 | V | 31.4 | Very low | 31.7 | Very low | 125.6 Ų | 125.6 | 130.8 Ų | 130.8 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | -84.3 | 122.3 | 164.9 | 178.8 | 0 | 0 | 0 | 0 | 106.5 | K1756 D1760 | K1756-V1758 HydrophobicContact CB-CG2 4.47Å; K1756-V1758 PolarHBondContact O-N 3.27Å; K1756-V1758 VanDerWaalsContact O-N 3.1Å; V1758-D1760 PolarHBondContact O-N 3.2Å; V1758-D1760 VanDerWaalsContact O-N 3.14Å | ||
| 1759 | P | 32.6 | Very low | 31.5 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -74.9 | 135.8 | -179 | 23.1 | -19.6 | 0 | 0 | 0 | 109.8 | T1757 Q1761 | T1757-P1759 VanDerWaalsContact O-CD 3.26Å; T1757-P1759 WeakPolarHBondContact O-CD 3.42Å; P1759-Q1761 PolarHBondContact O-N 2.94Å | ||
| 1760 | D | 30.4 | Very low | 31.4 | Very low | 143.6 Ų | 143.6 | 127.6 Ų | 127.6 | 77% | 0.768 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -21.3 | 133.5 | 166.3 | -67.3 | -38.9 | 0 | 0 | 0 | 115 | V1758 V1762 | V1758-D1760 PolarHBondContact O-N 3.2Å; V1758-D1760 VanDerWaalsContact O-N 3.14Å; D1760-V1762 PolarHBondContact O-N 2.94Å |
| 1761 | Q | 29.9 | Very low | 31.5 | Very low | 184.4 Ų | 184.4 | 124.5 Ų | 124.5 | 86% | 0.862 | 73% | 0.731 | S | S | * | * | trans | 67.1 | 80.4 | 151.4 | -52.6 | 179.3 | 14.1 | 0 | 0 | 117.6 | P1759 | P1759-Q1761 PolarHBondContact O-N 2.94Š| ||
| 1762 | V | 31.6 | Very low | 31.6 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | trans | -141.6 | 118.9 | 138.1 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | D1760 I1764 | D1760-V1762 PolarHBondContact O-N 2.94Å; V1762-I1764 PolarHBondContact O-N 3.37Å | ||
| 1763 | G | 30.9 | Very low | 31.4 | Very low | 71.2 Ų | 71.2 | 123.9 Ų | 123.9 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | trans | -27.4 | 113.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | N1765 | G1763-N1765 VanDerWaalsContact C-N 3.33Å; G1763-N1765 PolarHBondContact O-N 3.05Å | ||
| 1764 | I | 31 | Very low | 31.6 | Very low | 152 Ų | 152 | 124 Ų | 124 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | trans | -88.2 | 91.5 | 158.1 | -59 | 170.8 | 0 | 0 | 0 | 106.7 | V1762 S1766 I1767 | V1762-I1764 PolarHBondContact O-N 3.37Å; I1764-S1766 WeakPolarHBondContact CG2-OG 3.43Å; I1764-S1766 PolarHBondContact O-N 2.7Å; I1764-I1767 HydrophobicContact CG2-CD1 3.88Å; I1764-I1767 HydrophobicContact CG2-CG1 3.99Å | ||
| 1765 | N | 31.2 | Very low | 31.7 | Very low | 159.2 Ų | 159.2 | 119.6 Ų | 119.6 | 85% | 0.851 | 69% | 0.693 | S | S | * | * | trans | -136.9 | 89.3 | 159.4 | -88.5 | -19.5 | 0 | 0 | 0 | 109.2 | G1763 | G1763-N1765 VanDerWaalsContact C-N 3.33Å; G1763-N1765 PolarHBondContact O-N 3.05Å | ||
| 1766 | S | 32.3 | Very low | 32 | Very low | 111.4 Ų | 111.4 | 118.9 Ų | 118.9 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | trans | 149.2 | 49.9 | 165.9 | 66.9 | 0 | 0 | 0 | 0 | 115.3 | I1764 S1768 | I1764-S1766 WeakPolarHBondContact CG2-OG 3.43Å; I1764-S1766 PolarHBondContact O-N 2.7Å; S1766-S1768 VanDerWaalsContact C-N 3.34Å; S1766-S1768 PolarHBondContact O-N 3.42Å | ||
| 1767 | I | 33 | Very low | 32 | Very low | 138.2 Ų | 138.2 | 117.4 Ų | 117.4 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | trans | -111 | 105.3 | 151.1 | -58.4 | 176.4 | 0 | 0 | 0 | 105.7 | I1764 S1769 I1772 | I1764-I1767 HydrophobicContact CG2-CD1 3.88Å; I1764-I1767 HydrophobicContact CG2-CG1 3.99Å; I1767-S1769 PolarHBondContact O-N 3.28Å; I1767-I1772 HydrophobicContact CG2-CD1 4.28Å | ||
| 1768 | S | 30.9 | Very low | 32.5 | Very low | 71 Ų | 71 | 116.7 Ų | 116.7 | 50% | 0.497 | 67% | 0.666 | S | S | . | * | trans | -54.9 | 131.8 | 178.2 | 41.7 | 0 | 0 | 0 | 0 | 110.5 | S1766 S1770 D1771 | S1766-S1768 VanDerWaalsContact C-N 3.34Å; S1766-S1768 PolarHBondContact O-N 3.42Å; S1768-S1770 PolarHBondContact O-N 3.11Å; S1768-S1770 PolarHBondContact OG-OG 2.8Å; S1768-S1770 VanDerWaalsContact OG-OG 3.06Å; S1768-D1771 PolarHBondContact O-N 3.18Å; S1768-D1771 VanDerWaalsContact O-N 3.1Å | ||
| 1769 | S | 35.7 | Very low | 32.9 | Very low | 96.2 Ų | 96.2 | 114 Ų | 114 | 67% | 0.673 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -7.4 | -179.7 | 47.5 | 0 | 0 | 0 | 0 | 115.4 | I1767 D1771 Q1773 | I1767-S1769 PolarHBondContact O-N 3.28Å; S1769-D1771 VanDerWaalsContact C-N 3.32Å; S1769-Q1773 PolarHBondContact O-N 3.14Å |
| 1770 | S | 34.7 | Very low | 33.5 | Very low | 67.4 Ų | 67.4 | 113.2 Ų | 113.2 | 47% | 0.471 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -71.1 | -33.8 | 177.3 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | S1768 I1772 Q1773 S1774 | S1768-S1770 PolarHBondContact O-N 3.11Å; S1768-S1770 PolarHBondContact OG-OG 2.8Å; S1768-S1770 VanDerWaalsContact OG-OG 3.06Å; S1770-I1772 VanDerWaalsContact C-N 3.3Å; S1770-I1772 PolarHBondContact O-N 3.06Å; S1770-Q1773 PolarHBondContact O-N 3.34Å; S1770-S1774 PolarHBondContact O-N 3.35Å |
| 1771 | D | 34.8 | Very low | 34.6 | Very low | 102.2 Ų | 102.2 | 107.3 Ų | 107.3 | 55% | 0.547 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -80.6 | -21.4 | -174.1 | -68.5 | -8.6 | 0 | 0 | 0 | 112.2 | S1768 S1769 Q1773 S1774 T1775 | S1768-D1771 PolarHBondContact O-N 3.18Å; S1768-D1771 VanDerWaalsContact O-N 3.1Å; S1769-D1771 VanDerWaalsContact C-N 3.32Å; D1771-Q1773 VanDerWaalsContact C-N 3.34Å; D1771-Q1773 PolarHBondContact O-N 3.43Å; D1771-S1774 PolarHBondContact O-N 3.37Å; D1771-S1774 PolarHBondContact O-OG 3.2Å; D1771-S1774 VanDerWaalsContact O-OG 3.09Å; D1771-T1775 PolarHBondContact O-N 3.37Å; D1771-T1775 VanDerWaalsContact O-N 3.17Å; D1771-T1775 PolarHBondContact O-OG1 3.38Å |
| 1772 | I | 36.1 | Very low | 35.9 | Very low | 100.8 Ų | 100.8 | 99.4 Ų | 99.4 | 52% | 0.517 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -77.5 | -29.5 | 176.4 | -59 | 175.9 | 0 | 0 | 0 | 111 | I1767 S1770 T1775 L1776 | I1767-I1772 HydrophobicContact CG2-CD1 4.28Å; S1770-I1772 VanDerWaalsContact C-N 3.3Å; S1770-I1772 PolarHBondContact O-N 3.06Å; I1772-T1775 VanDerWaalsContact C-OG1 3.31Å; I1772-T1775 VanDerWaalsContact CA-OG1 3.26Å; I1772-T1775 WeakPolarHBondContact CA-OG1 3.36Å; I1772-T1775 PolarHBondContact O-N 3.11Å; I1772-T1775 VanDerWaalsContact O-N 3.16Å; I1772-T1775 PolarHBondContact O-OG1 3.09Å; I1772-L1776 HydrophobicContact CG2-CD1 4.13Å; I1772-L1776 PolarHBondContact O-N 3.06Å |
| 1773 | Q | 30.2 | Very low | 37.4 | Very low | 136.8 Ų | 136.8 | 93.7 Ų | 93.7 | 64% | 0.639 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -74.2 | -31.2 | 178.3 | -85.5 | 178.6 | -23.1 | 0 | 0 | 113.3 | S1769 S1770 D1771 T1775 L1776 H1777 | S1769-Q1773 PolarHBondContact O-N 3.14Å; S1770-Q1773 PolarHBondContact O-N 3.34Å; D1771-Q1773 VanDerWaalsContact C-N 3.34Å; D1771-Q1773 PolarHBondContact O-N 3.43Å; Q1773-T1775 VanDerWaalsContact C-N 3.32Å; Q1773-T1775 PolarHBondContact O-N 3.01Å; Q1773-L1776 PolarHBondContact O-N 3.25Å; Q1773-H1777 PolarHBondContact O-CD2 3.2Å; Q1773-H1777 PolarHBondContact O-N 3.01Å |
| 1774 | S | 33.4 | Very low | 39.1 | Very low | 78.2 Ų | 78.2 | 96.2 Ų | 96.2 | 55% | 0.547 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.7 | -28 | 178.3 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | S1770 D1771 L1776 H1777 F1778 | S1770-S1774 PolarHBondContact O-N 3.35Å; D1771-S1774 PolarHBondContact O-N 3.37Å; D1771-S1774 PolarHBondContact O-OG 3.2Å; D1771-S1774 VanDerWaalsContact O-OG 3.09Å; S1774-L1776 VanDerWaalsContact C-N 3.34Å; S1774-L1776 PolarHBondContact O-N 2.91Å; S1774-H1777 PolarHBondContact O-N 3.24Å; S1774-F1778 VanDerWaalsContact O-CD2 3.28Å; S1774-F1778 WeakPolarHBondContact O-CD2 3.41Å; S1774-F1778 WeakPolarHBondContact O-CE2 3.46Å |
| 1775 | T | 32.4 | Very low | 41.1 | Very low | 73.8 Ų | 73.8 | 92.2 Ų | 92.2 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -83.2 | -16.3 | 178.1 | 36 | 0 | 0 | 0 | 0 | 114.7 | D1771 I1772 Q1773 H1777 F1778 | D1771-T1775 PolarHBondContact O-N 3.37Å; D1771-T1775 VanDerWaalsContact O-N 3.17Å; D1771-T1775 PolarHBondContact O-OG1 3.38Å; I1772-T1775 VanDerWaalsContact C-OG1 3.31Å; I1772-T1775 VanDerWaalsContact CA-OG1 3.26Å; I1772-T1775 WeakPolarHBondContact CA-OG1 3.36Å; I1772-T1775 PolarHBondContact O-N 3.11Å; I1772-T1775 VanDerWaalsContact O-N 3.16Å; I1772-T1775 PolarHBondContact O-OG1 3.09Å; Q1773-T1775 VanDerWaalsContact C-N 3.32Å; Q1773-T1775 PolarHBondContact O-N 3.01Å; T1775-H1777 VanDerWaalsContact C-N 3.29Å; T1775-H1777 PolarHBondContact O-N 3.43Å; T1775-F1778 HydrophobicContact CG2-CD2 4.23Å; T1775-F1778 HydrophobicContact CG2-CE2 4.38Å; T1775-F1778 WeakPolarHBondContact O-CD2 3.32Å; T1775-F1778 PolarHBondContact O-N 3.38Å |
| 1776 | L | 32 | Very low | 43.1 | Very low | 105.8 Ų | 105.8 | 84.6 Ų | 84.6 | 55% | 0.554 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -91.8 | -10.6 | -180 | -82.8 | 164.8 | 0 | 0 | 0 | 114 | I1772 Q1773 S1774 F1778 S1779 | I1772-L1776 HydrophobicContact CG2-CD1 4.13Å; I1772-L1776 PolarHBondContact O-N 3.06Å; Q1773-L1776 PolarHBondContact O-N 3.25Å; S1774-L1776 VanDerWaalsContact C-N 3.34Å; S1774-L1776 PolarHBondContact O-N 2.91Å; L1776-F1778 VanDerWaalsContact C-N 3.3Å; L1776-F1778 PolarHBondContact O-N 3.07Å; L1776-F1778 VanDerWaalsContact O-N 3.12Å; L1776-S1779 PolarHBondContact O-OG 3.14Å |
| 1777 | H | 30.8 | Very low | 45 | Very low | 161.8 Ų | 161.8 | 80.4 Ų | 80.4 | 75% | 0.749 | 45% | 0.45 | S | S | * | . | trans | -87.5 | 19.3 | 176 | -96 | -78.7 | 0 | 0 | 0 | 113.6 | Q1773 S1774 T1775 S1779 | Q1773-H1777 PolarHBondContact O-CD2 3.2Å; Q1773-H1777 PolarHBondContact O-N 3.01Å; S1774-H1777 PolarHBondContact O-N 3.24Å; T1775-H1777 VanDerWaalsContact C-N 3.29Å; T1775-H1777 PolarHBondContact O-N 3.43Å; H1777-S1779 VanDerWaalsContact C-N 3.28Å; H1777-S1779 PolarHBondContact O-N 3.16Å; H1777-S1779 VanDerWaalsContact O-N 3.15Å | ||
| 1778 | F | 37.3 | Very low | 47.1 | Very low | 114.6 Ų | 114.6 | 75 Ų | 75 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | trans | -82.3 | 58.1 | 167 | -72.2 | -73.7 | 0 | 0 | 0 | 110.4 | Q1734 V1738 S1774 T1775 L1776 N1780 | Q1734-F1778 HydrophobicContact CG-CE1 4.43Å; V1738-F1778 HydrophobicContact CG2-CB 4.37Å; V1738-F1778 HydrophobicContact CG2-CE1 4.06Å; V1738-F1778 HydrophobicContact CG2-CG 4.39Å; S1774-F1778 VanDerWaalsContact O-CD2 3.28Å; S1774-F1778 WeakPolarHBondContact O-CD2 3.41Å; S1774-F1778 WeakPolarHBondContact O-CE2 3.46Å; T1775-F1778 HydrophobicContact CG2-CD2 4.23Å; T1775-F1778 HydrophobicContact CG2-CE2 4.38Å; T1775-F1778 WeakPolarHBondContact O-CD2 3.32Å; T1775-F1778 PolarHBondContact O-N 3.38Å; L1776-F1778 VanDerWaalsContact C-N 3.3Å; L1776-F1778 PolarHBondContact O-N 3.07Å; L1776-F1778 VanDerWaalsContact O-N 3.12Å; F1778-N1780 VanDerWaalsContact C-N 3.33Å; F1778-N1780 PolarHBondContact O-N 3.05Å | ||
| 1779 | S | 39.9 | Very low | 49.6 | Very low | 68.8 Ų | 68.8 | 71.7 Ų | 71.7 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | trans | -76 | 36.4 | -177.9 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | L1776 H1777 G1781 E1823 | L1776-S1779 PolarHBondContact O-OG 3.14Å; H1777-S1779 VanDerWaalsContact C-N 3.28Å; H1777-S1779 PolarHBondContact O-N 3.16Å; H1777-S1779 VanDerWaalsContact O-N 3.15Å; S1779-G1781 PolarHBondContact O-N 2.85Å; S1779-E1823 VanDerWaalsContact CA-OE1 3.28Å; S1779-E1823 WeakPolarHBondContact CA-OE1 3.42Å; S1779-E1823 WeakPolarHBondContact CB-OE1 3.36Å | ||
| 1780 | N | 45.1 | Very low | 51.7 | Low | 96.6 Ų | 96.6 | 67.4 Ų | 67.4 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | trans | -100.2 | 82.7 | 178 | -72.1 | -8 | 0 | 0 | 0 | 109.2 | V1731 F1778 A1819 | V1731-N1780 HydrophobicContact CG1-CB 4.4Å; F1778-N1780 VanDerWaalsContact C-N 3.33Å; F1778-N1780 PolarHBondContact O-N 3.05Å; N1780-A1819 HydrophobicContact CB-CB 3.92Å | ||
| 1781 | G | 53.3 | Low | 53.8 | Low | 20.6 Ų | 20.6 | 64.7 Ų | 64.7 | 21% | 0.212 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 159.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1731 S1779 G1783 E1823 | V1731-G1781 WeakPolarHBondContact CG1-O 3.27Å; S1779-G1781 PolarHBondContact O-N 2.85Å; G1781-G1783 PolarHBondContact O-N 3.13Å; G1781-G1783 VanDerWaalsContact O-N 3.14Å; G1781-E1823 PolarHBondContact N-OE2 3.3Å |
| 1782 | L | 57.2 | Low | 56.1 | Low | 18.8 Ų | 18.8 | 60 Ų | 60 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 124.7 | 177.7 | -160.8 | 75.3 | 0 | 0 | 0 | 110.6 | Y1726 A1732 S1735 I1743 G1786 F1787 L1790 | Y1726-L1782 HydrophobicContact CE2-CD2 4.47Å; A1732-L1782 HydrophobicContact CB-CD1 4.05Å; S1735-L1782 VanDerWaalsContact OG-CD1 3.22Å; S1735-L1782 WeakPolarHBondContact OG-CD1 3.34Å; I1743-L1782 HydrophobicContact CD1-CD1 3.92Å; I1743-L1782 HydrophobicContact CD1-CD2 4.38Å; I1743-L1782 HydrophobicContact CG1-CD1 3.88Å; L1782-G1786 VanDerWaalsContact CD2-C 3.41Å; L1782-G1786 WeakPolarHBondContact CD2-O 3.33Å; L1782-F1787 HydrophobicContact CB-CD2 4Å; L1782-F1787 HydrophobicContact CB-CE2 3.75Å; L1782-F1787 HydrophobicContact CB-CZ 4.26Å; L1782-F1787 HydrophobicContact CD2-CB 4.21Å; L1782-F1787 HydrophobicContact CD2-CD1 3.79Å; L1782-F1787 HydrophobicContact CD2-CD2 4.12Å; L1782-F1787 HydrophobicContact CD2-CE1 3.84Å; L1782-F1787 HydrophobicContact CD2-CE2 3.93Å; L1782-F1787 HydrophobicContact CD2-CG 3.78Å; L1782-F1787 HydrophobicContact CD2-CZ 3.91Å; L1782-F1787 HydrophobicContact CG-CD2 4.02Å; L1782-F1787 HydrophobicContact CG-CE2 4.08Å; L1782-F1787 HydrophobicContact CG-CG 4.39Å; L1782-F1787 HydrophobicContact CG-CZ 4.48Å; L1782-F1787 WeakPolarHBondContact O-CD2 3.48Å; L1782-F1787 VanDerWaalsContact O-CE2 3.31Å; L1782-F1787 WeakPolarHBondContact O-CE2 3.5Å; L1782-L1790 HydrophobicContact CD2-CD1 3.44Å; L1782-L1790 VanDerWaalsContact CD2-CD1 3.45Å; L1782-L1790 HydrophobicContact CD2-CG 4.24Å |
| 1783 | G | 62.9 | Low | 58.5 | Low | 23 Ų | 23 | 55.7 Ų | 55.7 | 24% | 0.237 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 164.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1781 T1785 G1786 F1787 | G1781-G1783 PolarHBondContact O-N 3.13Å; G1781-G1783 VanDerWaalsContact O-N 3.14Å; G1783-T1785 PolarHBondContact O-N 3.1Å; G1783-T1785 VanDerWaalsContact O-N 3.14Å; G1783-G1786 PolarHBondContact O-N 3.21Å; G1783-G1786 VanDerWaalsContact O-N 3.15Å; G1783-F1787 WeakPolarHBondContact O-CD2 3.32Å; G1783-F1787 PolarHBondContact O-N 3.12Å; G1783-F1787 VanDerWaalsContact O-N 3.09Å |
| 1784 | K | 67.1 | Low | 61 | Low | 123.4 Ų | 123.4 | 49.4 Ų | 49.4 | 54% | 0.537 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -52.4 | -39.2 | 175.5 | -134.9 | -175.9 | 177.3 | -178.2 | 0 | 111.7 | L1618 E1620 F1787 T1788 | L1618-K1784 HydrophobicContact CD1-CD 3.9Å; L1618-K1784 HydrophobicContact CD1-CG 4.13Å; L1618-K1784 HydrophobicContact CD2-CB 3.8Å; L1618-K1784 HydrophobicContact CD2-CD 3.61Å; L1618-K1784 VanDerWaalsContact CD2-CD 3.46Å; L1618-K1784 HydrophobicContact CD2-CG 3.81Å; E1620-K1784 IonicContact OE1-NZ 3.37Å; E1620-K1784 PolarHBondContact OE1-NZ 3.36Å; K1784-F1787 PolarHBondContact O-N 3.33Å; K1784-T1788 PolarHBondContact O-N 3.11Å; K1784-T1788 VanDerWaalsContact O-N 3.07Å; K1784-T1788 PolarHBondContact O-OG1 3.1Å; K1784-T1788 VanDerWaalsContact O-OG1 3.09Å |
| 1785 | T | 72.4 | Confident | 63.3 | Low | 67.8 Ų | 67.8 | 46.8 Ų | 46.8 | 42% | 0.416 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.9 | -53.7 | 176.9 | 10.5 | 0 | 0 | 0 | 0 | 111.8 | L1703 D1729 G1783 F1787 T1788 I1789 | L1703-T1785 HydrophobicContact CD1-CG2 4.48Å; L1703-T1785 HydrophobicContact CD2-CG2 4.33Å; D1729-T1785 WeakPolarHBondContact OD2-CB 3.35Å; D1729-T1785 PolarHBondContact OD2-OG1 3.27Å; G1783-T1785 PolarHBondContact O-N 3.1Å; G1783-T1785 VanDerWaalsContact O-N 3.14Å; T1785-F1787 VanDerWaalsContact C-N 3.3Å; T1785-F1787 PolarHBondContact O-N 3.06Å; T1785-T1788 WeakPolarHBondContact O-CB 3.26Å; T1785-T1788 PolarHBondContact O-N 3.21Å; T1785-T1788 VanDerWaalsContact O-N 3.12Å; T1785-I1789 HydrophobicContact CG2-CD1 3.99Å; T1785-I1789 WeakPolarHBondContact O-CD1 3.17Å; T1785-I1789 VanDerWaalsContact O-CG1 3.29Å; T1785-I1789 WeakPolarHBondContact O-CG1 3.23Å; T1785-I1789 PolarHBondContact O-N 3.11Å |
| 1786 | G | 74.1 | Confident | 65.9 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.4 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1729 L1782 G1783 I1789 L1790 | D1729-G1786 PolarHBondContact OD2-N 3.06Å; L1782-G1786 VanDerWaalsContact CD2-C 3.41Å; L1782-G1786 WeakPolarHBondContact CD2-O 3.33Å; G1783-G1786 PolarHBondContact O-N 3.21Å; G1783-G1786 VanDerWaalsContact O-N 3.15Å; G1786-I1789 PolarHBondContact O-N 3.21Å; G1786-L1790 WeakPolarHBondContact O-CG 3.39Å; G1786-L1790 PolarHBondContact O-N 3.06Å |
| 1787 | F | 72.7 | Confident | 68.5 | Low | 22 Ų | 22 | 39.4 Ų | 39.4 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -46.2 | 175.2 | -138.4 | -95.3 | 0 | 0 | 0 | 113 | L1613 I1616 L1782 G1783 K1784 T1785 I1789 L1790 V1791 F1817 | L1613-F1787 HydrophobicContact CB-CE1 3.6Å; L1613-F1787 VanDerWaalsContact CB-CE1 3.47Å; L1613-F1787 HydrophobicContact CB-CE2 4.43Å; L1613-F1787 HydrophobicContact CB-CZ 3.4Å; L1613-F1787 VanDerWaalsContact CB-CZ 3.43Å; L1613-F1787 HydrophobicContact CD1-CD1 4.39Å; L1613-F1787 HydrophobicContact CD1-CE1 4.1Å; L1613-F1787 HydrophobicContact CD1-CE2 4.19Å; L1613-F1787 HydrophobicContact CD1-CZ 4.04Å; L1613-F1787 HydrophobicContact CD2-CE2 4.31Å; L1613-F1787 HydrophobicContact CD2-CZ 3.83Å; L1613-F1787 HydrophobicContact CG-CE1 4.24Å; L1613-F1787 HydrophobicContact CG-CZ 3.91Å; L1613-F1787 WeakPolarHBondContact O-CZ 3.17Å; I1616-F1787 HydrophobicContact CD1-CD1 4.09Å; I1616-F1787 HydrophobicContact CD1-CD2 4.04Å; I1616-F1787 HydrophobicContact CD1-CE1 3.79Å; I1616-F1787 HydrophobicContact CD1-CE2 3.75Å; I1616-F1787 HydrophobicContact CD1-CG 4.17Å; I1616-F1787 HydrophobicContact CD1-CZ 3.59Å; I1616-F1787 HydrophobicContact CG1-CZ 4.46Å; L1782-F1787 HydrophobicContact CB-CD2 4Å; L1782-F1787 HydrophobicContact CB-CE2 3.75Å; L1782-F1787 HydrophobicContact CB-CZ 4.26Å; L1782-F1787 HydrophobicContact CD2-CB 4.21Å; L1782-F1787 HydrophobicContact CD2-CD1 3.79Å; L1782-F1787 HydrophobicContact CD2-CD2 4.12Å; L1782-F1787 HydrophobicContact CD2-CE1 3.84Å; L1782-F1787 HydrophobicContact CD2-CE2 3.93Å; L1782-F1787 HydrophobicContact CD2-CG 3.78Å; L1782-F1787 HydrophobicContact CD2-CZ 3.91Å; L1782-F1787 HydrophobicContact CG-CD2 4.02Å; L1782-F1787 HydrophobicContact CG-CE2 4.08Å; L1782-F1787 HydrophobicContact CG-CG 4.39Å; L1782-F1787 HydrophobicContact CG-CZ 4.48Å; L1782-F1787 WeakPolarHBondContact O-CD2 3.48Å; L1782-F1787 VanDerWaalsContact O-CE2 3.31Å; L1782-F1787 WeakPolarHBondContact O-CE2 3.5Å; G1783-F1787 WeakPolarHBondContact O-CD2 3.32Å; G1783-F1787 PolarHBondContact O-N 3.12Å; G1783-F1787 VanDerWaalsContact O-N 3.09Å; K1784-F1787 PolarHBondContact O-N 3.33Å; T1785-F1787 VanDerWaalsContact C-N 3.3Å; T1785-F1787 PolarHBondContact O-N 3.06Å; F1787-I1789 PolarHBondContact O-N 3.16Å; F1787-L1790 PolarHBondContact O-N 3.11Å; F1787-L1790 VanDerWaalsContact O-N 3.16Å; F1787-V1791 HydrophobicContact CD1-CG2 4.14Å; F1787-V1791 HydrophobicContact CE1-CG2 4.07Å; F1787-V1791 HydrophobicContact CE2-CG2 4.49Å; F1787-V1791 HydrophobicContact CZ-CG2 4.27Å; F1787-V1791 VanDerWaalsContact O-CG2 3.23Å; F1787-V1791 WeakPolarHBondContact O-CG2 3.3Å; F1787-V1791 PolarHBondContact O-N 3.2Å; F1787-F1817 HydrophobicContact CD1-CE1 4.42Å; F1787-F1817 HydrophobicContact CD1-CZ 4.21Å; F1787-F1817 HydrophobicContact CD2-CZ 4.14Å; F1787-F1817 HydrophobicContact CE1-CD1 4.12Å; F1787-F1817 AromaticContact CE1-CE1 3.6Å; F1787-F1817 HydrophobicContact CE1-CE1 3.6Å; F1787-F1817 HydrophobicContact CE1-CE2 4.29Å; F1787-F1817 AromaticContact CE1-CZ 3.66Å; F1787-F1817 HydrophobicContact CE1-CZ 3.66Å; F1787-F1817 VanDerWaalsContact CE1-CZ 3.46Å; F1787-F1817 AromaticContact CE2-CE1 3.57Å; F1787-F1817 HydrophobicContact CE2-CE1 3.85Å; F1787-F1817 AromaticContact CE2-CE2 3.51Å; F1787-F1817 HydrophobicContact CE2-CE2 3.86Å; F1787-F1817 AromaticContact CE2-CZ 3.21Å; F1787-F1817 HydrophobicContact CE2-CZ 3.21Å; F1787-F1817 HydrophobicContact CZ-CD1 4.34Å; F1787-F1817 AromaticContact CZ-CE1 3.91Å; F1787-F1817 HydrophobicContact CZ-CE1 4.01Å; F1787-F1817 HydrophobicContact CZ-CE2 4.12Å; F1787-F1817 AromaticContact CZ-CZ 3.54Å; F1787-F1817 HydrophobicContact CZ-CZ 3.8Å |
| 1788 | T | 77 | Confident | 70.9 | Confident | 25.4 Ų | 25.4 | 32.5 Ų | 32.5 | 16% | 0.156 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.1 | -37 | 175 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | L1703 K1707 W1722 K1784 T1785 V1791 G1792 | L1703-T1788 HydrophobicContact CD1-CG2 4.36Å; K1707-T1788 VanDerWaalsContact CE-CG2 3.43Å; W1722-T1788 HydrophobicContact CH2-CG2 4.42Å; K1784-T1788 PolarHBondContact O-N 3.11Å; K1784-T1788 VanDerWaalsContact O-N 3.07Å; K1784-T1788 PolarHBondContact O-OG1 3.1Å; K1784-T1788 VanDerWaalsContact O-OG1 3.09Å; T1785-T1788 WeakPolarHBondContact O-CB 3.26Å; T1785-T1788 PolarHBondContact O-N 3.21Å; T1785-T1788 VanDerWaalsContact O-N 3.12Å; T1788-V1791 PolarHBondContact O-N 2.76Å; T1788-G1792 PolarHBondContact O-N 3.18Å |
| 1789 | I | 82.4 | Confident | 73 | Confident | 2.4 Ų | 2.4 | 28.6 Ų | 28.6 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.8 | -45.2 | 176.7 | -65.1 | 159.9 | 0 | 0 | 0 | 111.5 | L1703 W1722 A1725 Y1726 T1785 G1786 F1787 V1791 G1792 L1793 | L1703-I1789 HydrophobicContact CD1-CD1 4.32Å; L1703-I1789 HydrophobicContact CD1-CG1 3.93Å; W1722-I1789 HydrophobicContact CB-CG2 4.35Å; W1722-I1789 HydrophobicContact CE3-CB 4.08Å; W1722-I1789 HydrophobicContact CE3-CG1 3.98Å; W1722-I1789 HydrophobicContact CE3-CG2 3.98Å; W1722-I1789 HydrophobicContact CZ3-CB 4.24Å; W1722-I1789 HydrophobicContact CZ3-CG1 4.04Å; W1722-I1789 VanDerWaalsContact O-CG2 3.27Å; W1722-I1789 WeakPolarHBondContact O-CG2 3.29Å; A1725-I1789 HydrophobicContact CB-CD1 3.98Å; A1725-I1789 HydrophobicContact CB-CG1 4.26Å; A1725-I1789 WeakPolarHBondContact O-CD1 3.43Å; Y1726-I1789 HydrophobicContact CD2-CB 4.42Å; Y1726-I1789 HydrophobicContact CD2-CG2 3.83Å; Y1726-I1789 HydrophobicContact CG-CG2 4.35Å; T1785-I1789 HydrophobicContact CG2-CD1 3.99Å; T1785-I1789 WeakPolarHBondContact O-CD1 3.17Å; T1785-I1789 VanDerWaalsContact O-CG1 3.29Å; T1785-I1789 WeakPolarHBondContact O-CG1 3.23Å; T1785-I1789 PolarHBondContact O-N 3.11Å; G1786-I1789 PolarHBondContact O-N 3.21Å; F1787-I1789 PolarHBondContact O-N 3.16Å; I1789-V1791 VanDerWaalsContact C-N 3.3Å; I1789-V1791 PolarHBondContact O-N 3.14Å; I1789-G1792 PolarHBondContact O-N 3.17Å; I1789-L1793 HydrophobicContact CG2-CD1 4.11Å; I1789-L1793 HydrophobicContact CG2-CG 4.42Å; I1789-L1793 WeakPolarHBondContact O-CB 3.31Å; I1789-L1793 VanDerWaalsContact O-CG 3.3Å; I1789-L1793 WeakPolarHBondContact O-CG 3.35Å; I1789-L1793 PolarHBondContact O-N 3.17Å |
| 1790 | L | 80.1 | Confident | 75.1 | Confident | 5.6 Ų | 5.6 | 28.2 Ų | 28.2 | 3% | 0.029 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 176.4 | -70.5 | 177.9 | 0 | 0 | 0 | 112.1 | Y1726 I1743 L1782 G1786 F1787 G1792 L1793 L1794 V1809 T1813 | Y1726-L1790 HydrophobicContact CD2-CD2 4.49Å; Y1726-L1790 HydrophobicContact CE2-CD2 4.06Å; Y1726-L1790 HydrophobicContact CE2-CG 4.38Å; I1743-L1790 HydrophobicContact CD1-CD1 4.07Å; I1743-L1790 HydrophobicContact CD1-CD2 4.45Å; L1782-L1790 HydrophobicContact CD2-CD1 3.44Å; L1782-L1790 VanDerWaalsContact CD2-CD1 3.45Å; L1782-L1790 HydrophobicContact CD2-CG 4.24Å; G1786-L1790 WeakPolarHBondContact O-CG 3.39Å; G1786-L1790 PolarHBondContact O-N 3.06Å; F1787-L1790 PolarHBondContact O-N 3.11Å; F1787-L1790 VanDerWaalsContact O-N 3.16Å; L1790-G1792 VanDerWaalsContact C-N 3.35Å; L1790-G1792 PolarHBondContact O-N 3.17Å; L1790-L1793 HydrophobicContact CD2-CD1 4.43Å; L1790-L1793 PolarHBondContact O-N 3.22Å; L1790-L1794 WeakPolarHBondContact O-CB 3.39Å; L1790-L1794 VanDerWaalsContact O-CG 3.29Å; L1790-L1794 WeakPolarHBondContact O-CG 3.4Å; L1790-L1794 PolarHBondContact O-N 3.05Å; L1790-V1809 HydrophobicContact CD2-CG1 4.18Å; L1790-V1809 WeakPolarHBondContact O-CG1 3.19Å; L1790-T1813 HydrophobicContact CB-CG2 3.65Å; L1790-T1813 HydrophobicContact CD1-CG2 3.78Å; L1790-T1813 HydrophobicContact CD2-CG2 4.34Å; L1790-T1813 HydrophobicContact CG-CG2 4.13Å |
| 1791 | V | 79 | Confident | 76.6 | Confident | 9.4 Ų | 9.4 | 27.6 Ų | 27.6 | 6% | 0.057 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 174 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | F1609 D1610 L1613 F1787 T1788 I1789 L1793 L1794 D1795 | F1609-V1791 HydrophobicContact CB-CG1 4.02Å; D1610-V1791 HydrophobicContact CB-CG1 4.4Å; L1613-V1791 HydrophobicContact CB-CG1 4.03Å; L1613-V1791 HydrophobicContact CB-CG2 3.95Å; L1613-V1791 HydrophobicContact CD1-CB 4.26Å; L1613-V1791 HydrophobicContact CD1-CG1 4.19Å; L1613-V1791 HydrophobicContact CD1-CG2 3.37Å; L1613-V1791 VanDerWaalsContact CD1-CG2 3.44Å; L1613-V1791 HydrophobicContact CG-CG1 4.45Å; L1613-V1791 HydrophobicContact CG-CG2 4.17Å; F1787-V1791 HydrophobicContact CD1-CG2 4.14Å; F1787-V1791 HydrophobicContact CE1-CG2 4.07Å; F1787-V1791 HydrophobicContact CE2-CG2 4.49Å; F1787-V1791 HydrophobicContact CZ-CG2 4.27Å; F1787-V1791 VanDerWaalsContact O-CG2 3.23Å; F1787-V1791 WeakPolarHBondContact O-CG2 3.3Å; F1787-V1791 PolarHBondContact O-N 3.2Å; T1788-V1791 PolarHBondContact O-N 2.76Å; I1789-V1791 VanDerWaalsContact C-N 3.3Å; I1789-V1791 PolarHBondContact O-N 3.14Å; V1791-L1793 VanDerWaalsContact C-N 3.31Å; V1791-L1793 PolarHBondContact O-N 3.14Å; V1791-L1794 WeakPolarHBondContact O-CB 3.32Å; V1791-L1794 PolarHBondContact O-N 3.17Å; V1791-L1794 VanDerWaalsContact O-N 3.09Å; V1791-D1795 PolarHBondContact O-N 3.16Å; V1791-D1795 VanDerWaalsContact O-OD1 3.07Å |
| 1792 | G | 83.2 | Confident | 78 | Confident | 4.2 Ų | 4.2 | 28.6 Ų | 28.6 | 4% | 0.043 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | W1722 T1788 I1789 L1790 D1795 T1796 | W1722-G1792 VanDerWaalsContact CZ2-CA 3.48Å; W1722-G1792 PolarHBondContact NE1-O 2.94Å; T1788-G1792 PolarHBondContact O-N 3.18Å; I1789-G1792 PolarHBondContact O-N 3.17Å; L1790-G1792 VanDerWaalsContact C-N 3.35Å; L1790-G1792 PolarHBondContact O-N 3.17Å; G1792-D1795 PolarHBondContact O-N 3.14Å; G1792-T1796 WeakPolarHBondContact O-CB 3.42Å; G1792-T1796 WeakPolarHBondContact O-CG2 3.47Å; G1792-T1796 PolarHBondContact O-N 3.28Å; G1792-T1796 PolarHBondContact O-OG1 3.15Å; G1792-T1796 VanDerWaalsContact O-OG1 3.14Å |
| 1793 | L | 86.6 | Confident | 79.2 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 174.2 | -76.2 | 170.9 | 0 | 0 | 0 | 111.8 | L1719 W1722 E1723 I1789 L1790 V1791 D1795 T1796 Y1797 V1809 | L1719-L1793 HydrophobicContact CD1-CD2 3.7Å; L1719-L1793 VanDerWaalsContact CD1-CD2 3.5Å; W1722-L1793 HydrophobicContact CB-CD2 3.43Å; W1722-L1793 VanDerWaalsContact CB-CD2 3.43Å; W1722-L1793 HydrophobicContact CB-CG 3.8Å; W1722-L1793 HydrophobicContact CG-CD2 4.18Å; W1722-L1793 HydrophobicContact CG-CG 4.32Å; E1723-L1793 HydrophobicContact CG-CD2 4.43Å; I1789-L1793 HydrophobicContact CG2-CD1 4.11Å; I1789-L1793 HydrophobicContact CG2-CG 4.42Å; I1789-L1793 WeakPolarHBondContact O-CB 3.31Å; I1789-L1793 VanDerWaalsContact O-CG 3.3Å; I1789-L1793 WeakPolarHBondContact O-CG 3.35Å; I1789-L1793 PolarHBondContact O-N 3.17Å; L1790-L1793 HydrophobicContact CD2-CD1 4.43Å; L1790-L1793 PolarHBondContact O-N 3.22Å; V1791-L1793 VanDerWaalsContact C-N 3.31Å; V1791-L1793 PolarHBondContact O-N 3.14Å; L1793-D1795 VanDerWaalsContact C-N 3.33Å; L1793-D1795 PolarHBondContact O-N 3.23Å; L1793-T1796 VanDerWaalsContact CA-OG1 3.31Å; L1793-T1796 WeakPolarHBondContact CA-OG1 3.35Å; L1793-T1796 PolarHBondContact O-N 2.97Å; L1793-T1796 PolarHBondContact O-OG1 3.13Å; L1793-Y1797 HydrophobicContact CB-CD2 4.45Å; L1793-Y1797 HydrophobicContact CB-CE2 4.47Å; L1793-Y1797 HydrophobicContact CD2-CE2 4.2Å; L1793-Y1797 WeakPolarHBondContact O-CB 3.39Å; L1793-Y1797 VanDerWaalsContact O-CD2 3.24Å; L1793-Y1797 WeakPolarHBondContact O-CD2 3.36Å; L1793-Y1797 PolarHBondContact O-N 3.21Å; L1793-V1809 HydrophobicContact CB-CG1 3.97Å; L1793-V1809 HydrophobicContact CB-CG2 3.99Å; L1793-V1809 HydrophobicContact CD1-CG2 4.39Å |
| 1794 | L | 83.1 | Confident | 80.2 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -46.5 | 176.3 | -85.3 | 167.1 | 0 | 0 | 0 | 111.4 | L1613 L1790 V1791 T1796 Y1797 A1798 L1806 V1809 L1810 T1813 L1852 L1855 | L1613-L1794 HydrophobicContact CD1-CD1 3.97Å; L1790-L1794 WeakPolarHBondContact O-CB 3.39Å; L1790-L1794 VanDerWaalsContact O-CG 3.29Å; L1790-L1794 WeakPolarHBondContact O-CG 3.4Å; L1790-L1794 PolarHBondContact O-N 3.05Å; V1791-L1794 WeakPolarHBondContact O-CB 3.32Å; V1791-L1794 PolarHBondContact O-N 3.17Å; V1791-L1794 VanDerWaalsContact O-N 3.09Å; L1794-T1796 PolarHBondContact O-N 3.4Å; L1794-Y1797 PolarHBondContact O-N 3Å; L1794-A1798 VanDerWaalsContact O-CB 3.28Å; L1794-A1798 WeakPolarHBondContact O-CB 3.37Å; L1794-A1798 PolarHBondContact O-N 3.21Å; L1794-L1806 HydrophobicContact CB-CD1 4.39Å; L1794-L1806 HydrophobicContact CD1-CD1 4.25Å; L1794-L1806 HydrophobicContact CD2-CD1 3.62Å; L1794-L1806 HydrophobicContact CD2-CG 4.49Å; L1794-L1806 HydrophobicContact CG-CD1 3.72Å; L1794-V1809 HydrophobicContact CB-CG1 4.02Å; L1794-V1809 HydrophobicContact CD2-CB 3.91Å; L1794-V1809 HydrophobicContact CD2-CG1 3.59Å; L1794-V1809 HydrophobicContact CG-CB 4.42Å; L1794-V1809 HydrophobicContact CG-CG1 3.71Å; L1794-L1810 HydrophobicContact CD1-CD2 4.12Å; L1794-L1810 HydrophobicContact CD1-CG 4.05Å; L1794-L1810 HydrophobicContact CD2-CB 4.44Å; L1794-L1810 HydrophobicContact CD2-CD2 3.47Å; L1794-L1810 VanDerWaalsContact CD2-CD2 3.44Å; L1794-L1810 HydrophobicContact CD2-CG 3.59Å; L1794-L1810 HydrophobicContact CG-CD2 4.5Å; L1794-T1813 HydrophobicContact CD1-CG2 4.03Å; L1794-T1813 HydrophobicContact CD2-CG2 4.44Å; L1794-T1813 HydrophobicContact CG-CG2 4.21Å; L1794-L1852 HydrophobicContact CD1-CD2 4.1Å; L1794-L1855 HydrophobicContact CD2-CD1 4.36Å |
| 1795 | D | 81.1 | Confident | 81.1 | Confident | 22.2 Ų | 22.2 | 26.2 Ų | 26.2 | 12% | 0.119 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | 179.2 | -129.7 | 7.5 | 0 | 0 | 0 | 111.4 | F1609 L1710 V1791 G1792 L1793 Y1797 A1798 S1799 | F1609-D1795 HydrophobicContact CB-CB 4.21Å; F1609-D1795 WeakPolarHBondContact CB-OD1 3.29Å; F1609-D1795 WeakPolarHBondContact CB-OD2 3.47Å; F1609-D1795 HydrophobicContact CD2-CB 4.02Å; F1609-D1795 VanDerWaalsContact CD2-OD1 3.26Å; F1609-D1795 WeakPolarHBondContact CD2-OD1 3.27Å; F1609-D1795 HydrophobicContact CE2-CB 4.36Å; F1609-D1795 VanDerWaalsContact CE2-OD1 3.27Å; F1609-D1795 WeakPolarHBondContact CE2-OD1 3.39Å; F1609-D1795 HydrophobicContact CG-CB 4.01Å; F1609-D1795 WeakPolarHBondContact CG-OD1 3.46Å; L1710-D1795 HydrophobicContact CD1-CB 4.13Å; L1710-D1795 HydrophobicContact CD2-CB 4.02Å; V1791-D1795 PolarHBondContact O-N 3.16Å; V1791-D1795 VanDerWaalsContact O-OD1 3.07Å; G1792-D1795 PolarHBondContact O-N 3.14Å; L1793-D1795 VanDerWaalsContact C-N 3.33Å; L1793-D1795 PolarHBondContact O-N 3.23Å; D1795-Y1797 PolarHBondContact O-N 2.82Å; D1795-A1798 PolarHBondContact O-N 3.16Å; D1795-S1799 VanDerWaalsContact O-CB 3.27Å; D1795-S1799 WeakPolarHBondContact O-CB 3.4Å; D1795-S1799 PolarHBondContact O-N 3.08Å; D1795-S1799 PolarHBondContact O-OG 2.96Å; D1795-S1799 PolarHBondContact OD1-OG 3.27Å |
| 1796 | T | 86.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 176.8 | 37.4 | 0 | 0 | 0 | 0 | 112.6 | L1710 F1715 A1718 L1719 W1722 G1792 L1793 L1794 S1799 L1800 | L1710-T1796 HydrophobicContact CD1-CG2 3.76Å; L1710-T1796 HydrophobicContact CG-CG2 4.49Å; F1715-T1796 HydrophobicContact CB-CG2 4.02Å; F1715-T1796 WeakPolarHBondContact O-CG2 3.33Å; A1718-T1796 HydrophobicContact CB-CG2 3.67Å; L1719-T1796 HydrophobicContact CB-CG2 4.01Å; L1719-T1796 HydrophobicContact CD1-CG2 4.29Å; W1722-T1796 PolarHBondContact NE1-OG1 3.48Å; W1722-T1796 VanDerWaalsContact NE1-OG1 3.16Å; G1792-T1796 WeakPolarHBondContact O-CB 3.42Å; G1792-T1796 WeakPolarHBondContact O-CG2 3.47Å; G1792-T1796 PolarHBondContact O-N 3.28Å; G1792-T1796 PolarHBondContact O-OG1 3.15Å; G1792-T1796 VanDerWaalsContact O-OG1 3.14Å; L1793-T1796 VanDerWaalsContact CA-OG1 3.31Å; L1793-T1796 WeakPolarHBondContact CA-OG1 3.35Å; L1793-T1796 PolarHBondContact O-N 2.97Å; L1793-T1796 PolarHBondContact O-OG1 3.13Å; L1794-T1796 PolarHBondContact O-N 3.4Å; T1796-S1799 WeakPolarHBondContact CA-OG 3.46Å; T1796-S1799 PolarHBondContact O-N 3.1Å; T1796-S1799 PolarHBondContact O-OG 3.33Å; T1796-L1800 HydrophobicContact CG2-CD1 4.2Å; T1796-L1800 WeakPolarHBondContact O-CB 3.41Å; T1796-L1800 VanDerWaalsContact O-CG 3.29Å; T1796-L1800 WeakPolarHBondContact O-CG 3.41Å; T1796-L1800 PolarHBondContact O-N 2.89Å |
| 1797 | Y | 86.9 | Confident | 82 | Confident | 23.8 Ų | 23.8 | 24.2 Ų | 24.2 | 9% | 0.093 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.9 | -36.9 | 179.9 | -78.3 | -59.4 | 0 | 0 | 0 | 112.4 | L1719 L1793 L1794 D1795 S1799 L1800 H1801 D1802 V1809 N1859 | L1719-Y1797 HydrophobicContact CD1-CD1 4.43Å; L1719-Y1797 HydrophobicContact CD1-CD2 4.32Å; L1719-Y1797 HydrophobicContact CD1-CE1 3.82Å; L1719-Y1797 HydrophobicContact CD1-CE2 3.69Å; L1719-Y1797 VanDerWaalsContact CD1-CZ 3.43Å; L1719-Y1797 WeakPolarHBondContact CD1-OH 3.38Å; L1719-Y1797 HydrophobicContact CD2-CE1 3.99Å; L1793-Y1797 HydrophobicContact CB-CD2 4.45Å; L1793-Y1797 HydrophobicContact CB-CE2 4.47Å; L1793-Y1797 HydrophobicContact CD2-CE2 4.2Å; L1793-Y1797 WeakPolarHBondContact O-CB 3.39Å; L1793-Y1797 VanDerWaalsContact O-CD2 3.24Å; L1793-Y1797 WeakPolarHBondContact O-CD2 3.36Å; L1793-Y1797 PolarHBondContact O-N 3.21Å; L1794-Y1797 PolarHBondContact O-N 3Å; D1795-Y1797 PolarHBondContact O-N 2.82Å; Y1797-S1799 VanDerWaalsContact C-N 3.33Å; Y1797-S1799 PolarHBondContact O-N 2.57Å; Y1797-L1800 PolarHBondContact O-N 3.18Å; Y1797-H1801 PolarHBondContact O-N 3.22Å; Y1797-H1801 VanDerWaalsContact O-N 3.13Å; Y1797-D1802 HydrophobicContact CD1-CB 3.94Å; Y1797-D1802 WeakPolarHBondContact CE1-OD2 3.35Å; Y1797-D1802 PolarHBondContact O-N 3.12Å; Y1797-D1802 VanDerWaalsContact O-N 3.09Å; Y1797-V1809 HydrophobicContact CD2-CG2 3.66Å; Y1797-V1809 HydrophobicContact CE2-CG2 3.56Å; Y1797-V1809 VanDerWaalsContact CE2-CG2 3.46Å; Y1797-N1859 PolarHBondContact O-ND2 3.09Å |
| 1798 | A | 81.8 | Confident | 82.5 | Confident | 17 Ų | 17 | 24.3 Ų | 24.3 | 14% | 0.14 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1609 L1794 D1795 H1801 L1806 N1859 | F1609-A1798 HydrophobicContact CZ-CB 4.37Å; L1794-A1798 VanDerWaalsContact O-CB 3.28Å; L1794-A1798 WeakPolarHBondContact O-CB 3.37Å; L1794-A1798 PolarHBondContact O-N 3.21Å; D1795-A1798 PolarHBondContact O-N 3.16Å; A1798-H1801 PolarHBondContact O-N 2.99Å; A1798-H1801 VanDerWaalsContact O-N 3.16Å; A1798-H1801 PolarHBondContact O-ND1 3.35Å; A1798-L1806 HydrophobicContact CB-CD1 4.4Å; A1798-N1859 PolarHBondContact O-OD1 3.08Å |
| 1799 | S | 82 | Confident | 82.7 | Confident | 33.8 Ų | 33.8 | 23.5 Ų | 23.5 | 24% | 0.236 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.2 | -30.8 | 177.2 | -43.9 | 0 | 0 | 0 | 0 | 113.4 | F1715 D1795 T1796 Y1797 H1801 | F1715-S1799 VanDerWaalsContact CD1-OG 3.24Å; F1715-S1799 WeakPolarHBondContact CD1-OG 3.46Å; F1715-S1799 VanDerWaalsContact CE1-CB 3.45Å; F1715-S1799 WeakPolarHBondContact CE1-OG 3.12Å; D1795-S1799 VanDerWaalsContact O-CB 3.27Å; D1795-S1799 WeakPolarHBondContact O-CB 3.4Å; D1795-S1799 PolarHBondContact O-N 3.08Å; D1795-S1799 PolarHBondContact O-OG 2.96Å; D1795-S1799 PolarHBondContact OD1-OG 3.27Å; T1796-S1799 WeakPolarHBondContact CA-OG 3.46Å; T1796-S1799 PolarHBondContact O-N 3.1Å; T1796-S1799 PolarHBondContact O-OG 3.33Å; Y1797-S1799 VanDerWaalsContact C-N 3.33Å; Y1797-S1799 PolarHBondContact O-N 2.57Å; S1799-H1801 PolarHBondContact O-N 3.23Å |
| 1800 | L | 82.2 | Confident | 82.4 | Confident | 59.2 Ų | 59.2 | 23.5 Ų | 23.5 | 31% | 0.31 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -75.6 | -10.4 | 171.7 | -77.3 | 170.1 | 0 | 0 | 0 | 113.4 | F1715 L1719 T1796 Y1797 D1802 | F1715-L1800 HydrophobicContact CB-CD1 4.13Å; F1715-L1800 HydrophobicContact CB-CD2 3.61Å; F1715-L1800 HydrophobicContact CB-CG 3.66Å; F1715-L1800 HydrophobicContact CD2-CD2 4.3Å; F1715-L1800 HydrophobicContact CD2-CG 4.47Å; F1715-L1800 HydrophobicContact CG-CD2 4.37Å; F1715-L1800 HydrophobicContact CG-CG 4.38Å; L1719-L1800 HydrophobicContact CD2-CD1 4.24Å; T1796-L1800 HydrophobicContact CG2-CD1 4.2Å; T1796-L1800 WeakPolarHBondContact O-CB 3.41Å; T1796-L1800 VanDerWaalsContact O-CG 3.29Å; T1796-L1800 WeakPolarHBondContact O-CG 3.41Å; T1796-L1800 PolarHBondContact O-N 2.89Å; Y1797-L1800 PolarHBondContact O-N 3.18Å; L1800-D1802 VanDerWaalsContact C-N 3.26Å; L1800-D1802 HydrophobicContact CB-CB 4.4Å; L1800-D1802 PolarHBondContact O-N 3.18Å |
| 1801 | H | 77.7 | Confident | 82.2 | Confident | 84.4 Ų | 84.4 | 25.2 Ų | 25.2 | 39% | 0.391 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 34.7 | -169.9 | -58.7 | -56.5 | 0 | 0 | 0 | 113.5 | Y1797 A1798 S1799 S1803 N1859 H2088 | Y1797-H1801 PolarHBondContact O-N 3.22Å; Y1797-H1801 VanDerWaalsContact O-N 3.13Å; A1798-H1801 PolarHBondContact O-N 2.99Å; A1798-H1801 VanDerWaalsContact O-N 3.16Å; A1798-H1801 PolarHBondContact O-ND1 3.35Å; S1799-H1801 PolarHBondContact O-N 3.23Å; H1801-S1803 PolarHBondContact O-N 2.7Å; H1801-N1859 VanDerWaalsContact CA-OD1 3.26Å; H1801-N1859 WeakPolarHBondContact CA-OD1 3.44Å; H1801-H2088 AromaticContact CD2-CD2 3.87Å; H1801-H2088 AromaticContact CD2-CE1 3.77Å; H1801-H2088 AromaticContact CD2-CG 3.98Å; H1801-H2088 AromaticContact CD2-ND1 3.9Å; H1801-H2088 AromaticContact CD2-NE2 3.73Å; H1801-H2088 AromaticContact CE1-CD2 3.57Å; H1801-H2088 AromaticContact CE1-NE2 3.6Å; H1801-H2088 AromaticContact NE2-CD2 3.51Å; H1801-H2088 PolarHBondContact NE2-CD2 3.44Å; H1801-H2088 VanDerWaalsContact NE2-CD2 3.31Å; H1801-H2088 AromaticContact NE2-CG 3.87Å; H1801-H2088 AromaticContact NE2-NE2 3.45Å; H1801-H2088 PolarHBondContact NE2-NE2 3.16Å |
| 1802 | D | 82.6 | Confident | 81.9 | Confident | 42 Ų | 42 | 26 Ų | 26 | 23% | 0.225 | 16% | 0.161 | C | C | . | . | trans | -94.2 | 98.7 | 176.7 | -178.5 | 0.8 | 0 | 0 | 0 | 110 | Y1797 L1800 D1804 G1805 L1806 N1859 Y2690 | Y1797-D1802 HydrophobicContact CD1-CB 3.94Å; Y1797-D1802 WeakPolarHBondContact CE1-OD2 3.35Å; Y1797-D1802 PolarHBondContact O-N 3.12Å; Y1797-D1802 VanDerWaalsContact O-N 3.09Å; L1800-D1802 VanDerWaalsContact C-N 3.26Å; L1800-D1802 HydrophobicContact CB-CB 4.4Å; L1800-D1802 PolarHBondContact O-N 3.18Å; D1802-D1804 VanDerWaalsContact C-N 3.34Å; D1802-D1804 PolarHBondContact O-N 3.17Å; D1802-D1804 PolarHBondContact OD1-N 3.18Å; D1802-D1804 VanDerWaalsContact OD1-N 3.12Å; D1802-G1805 PolarHBondContact OD1-N 3.23Å; D1802-G1805 VanDerWaalsContact OD1-N 3.14Å; D1802-L1806 VanDerWaalsContact O-CB 3.27Å; D1802-L1806 WeakPolarHBondContact O-CB 3.37Å; D1802-L1806 PolarHBondContact O-N 3.38Å; D1802-L1806 VanDerWaalsContact O-N 3.11Å; D1802-N1859 VanDerWaalsContact C-ND2 3.28Å; D1802-N1859 PolarHBondContact N-ND2 3.01Å; D1802-N1859 PolarHBondContact O-ND2 3.23Å; D1802-Y2690 PolarHBondContact OD2-OH 2.99Å | ||
| 1803 | S | 81.9 | Confident | 81.3 | Confident | 34.6 Ų | 34.6 | 26 Ų | 26 | 24% | 0.242 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.6 | -35.5 | -179.9 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | H1801 A1807 N1859 | H1801-S1803 PolarHBondContact O-N 2.7Å; S1803-A1807 VanDerWaalsContact O-CB 3.3Å; S1803-A1807 WeakPolarHBondContact O-CB 3.43Å; S1803-A1807 PolarHBondContact O-N 3.32Å; S1803-A1807 VanDerWaalsContact O-N 3.07Å; S1803-N1859 WeakPolarHBondContact CB-O 3.4Å; S1803-N1859 PolarHBondContact N-ND2 3.11Å |
| 1804 | D | 85 | Confident | 80.5 | Confident | 72.2 Ų | 72.2 | 28.7 Ų | 28.7 | 39% | 0.386 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -76.6 | -44.7 | -172 | -64.4 | -11.6 | 0 | 0 | 0 | 110 | D1802 A1807 G1808 R2597 G2769 R2773 | D1802-D1804 VanDerWaalsContact C-N 3.34Å; D1802-D1804 PolarHBondContact O-N 3.17Å; D1802-D1804 PolarHBondContact OD1-N 3.18Å; D1802-D1804 VanDerWaalsContact OD1-N 3.12Å; D1804-A1807 PolarHBondContact O-N 3.08Å; D1804-G1808 PolarHBondContact O-N 3.21Å; D1804-G1808 VanDerWaalsContact O-N 3.12Å; D1804-R2597 IonicContact OD1-CZ 2.66Å; D1804-R2597 IonicContact OD1-NE 3.55Å; D1804-R2597 PolarHBondContact OD1-NE 3.38Å; D1804-R2597 IonicContact OD1-NH2 2.76Å; D1804-R2597 PolarHBondContact OD1-NH2 3.14Å; D1804-R2597 WeakPolarHBondContact OD2-CD 3.28Å; D1804-R2597 IonicContact OD2-CZ 3.21Å; D1804-R2597 IonicContact OD2-NE 2.93Å; D1804-R2597 PolarHBondContact OD2-NE 3.03Å; D1804-R2597 IonicContact OD2-NH2 3.5Å; D1804-G2769 CarbonylContact O-C 3.52Å; D1804-G2769 VanDerWaalsContact O-CA 3.24Å; D1804-G2769 WeakPolarHBondContact O-CA 3.36Å; D1804-R2773 HydrophobicContact CB-CB 4.11Å; D1804-R2773 HydrophobicContact CB-CG 4.21Å |
| 1805 | G | 85.2 | Confident | 79.6 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1802 A1807 G1808 V1809 | D1802-G1805 PolarHBondContact OD1-N 3.23Å; D1802-G1805 VanDerWaalsContact OD1-N 3.14Å; G1805-A1807 PolarHBondContact O-N 3.29Å; G1805-G1808 WeakPolarHBondContact O-CA 3.21Å; G1805-G1808 PolarHBondContact O-N 3.05Å; G1805-G1808 VanDerWaalsContact O-N 3.11Å; G1805-V1809 WeakPolarHBondContact O-CG2 3.31Å; G1805-V1809 PolarHBondContact O-N 3.3Å; G1805-V1809 VanDerWaalsContact O-N 3.1Å |
| 1806 | L | 84.5 | Confident | 78.6 | Confident | 3.6 Ų | 3.6 | 30.3 Ų | 30.3 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 177.7 | -173.6 | 73.8 | 0 | 0 | 0 | 112 | L1794 A1798 D1802 G1808 V1809 L1810 N1859 | L1794-L1806 HydrophobicContact CB-CD1 4.39Å; L1794-L1806 HydrophobicContact CD1-CD1 4.25Å; L1794-L1806 HydrophobicContact CD2-CD1 3.62Å; L1794-L1806 HydrophobicContact CD2-CG 4.49Å; L1794-L1806 HydrophobicContact CG-CD1 3.72Å; A1798-L1806 HydrophobicContact CB-CD1 4.4Å; D1802-L1806 VanDerWaalsContact O-CB 3.27Å; D1802-L1806 WeakPolarHBondContact O-CB 3.37Å; D1802-L1806 PolarHBondContact O-N 3.38Å; D1802-L1806 VanDerWaalsContact O-N 3.11Å; L1806-G1808 VanDerWaalsContact C-N 3.27Å; L1806-G1808 PolarHBondContact O-N 3Å; L1806-V1809 PolarHBondContact O-N 2.97Å; L1806-V1809 VanDerWaalsContact O-N 3.12Å; L1806-L1810 HydrophobicContact CD1-CD1 4.34Å; L1806-L1810 HydrophobicContact CD1-CG 4.33Å; L1806-L1810 HydrophobicContact CD2-CD1 4.18Å; L1806-L1810 HydrophobicContact CG-CD1 3.87Å; L1806-L1810 HydrophobicContact CG-CG 4.18Å; L1806-L1810 VanDerWaalsContact O-CB 3.3Å; L1806-L1810 WeakPolarHBondContact O-CB 3.31Å; L1806-L1810 VanDerWaalsContact O-CG 3.23Å; L1806-L1810 WeakPolarHBondContact O-CG 3.41Å; L1806-L1810 PolarHBondContact O-N 3.09Å; L1806-N1859 WeakPolarHBondContact CB-ND2 3.14Å; L1806-N1859 HydrophobicContact CD2-CB 3.44Å; L1806-N1859 VanDerWaalsContact CD2-CB 3.43Å; L1806-N1859 VanDerWaalsContact CD2-CG 3.46Å; L1806-N1859 VanDerWaalsContact CD2-ND2 3.28Å; L1806-N1859 WeakPolarHBondContact CD2-ND2 3.3Å |
| 1807 | A | 81.4 | Confident | 77.4 | Confident | 22.8 Ų | 22.8 | 32.2 Ų | 32.2 | 19% | 0.188 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.1 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1803 D1804 G1805 L1810 S1811 | S1803-A1807 VanDerWaalsContact O-CB 3.3Å; S1803-A1807 WeakPolarHBondContact O-CB 3.43Å; S1803-A1807 PolarHBondContact O-N 3.32Å; S1803-A1807 VanDerWaalsContact O-N 3.07Å; D1804-A1807 PolarHBondContact O-N 3.08Å; G1805-A1807 PolarHBondContact O-N 3.29Å; A1807-L1810 PolarHBondContact O-N 3.21Å; A1807-S1811 WeakPolarHBondContact O-CB 3.42Å; A1807-S1811 PolarHBondContact O-N 3.09Å; A1807-S1811 PolarHBondContact O-OG 2.96Å |
| 1808 | G | 82.4 | Confident | 75.9 | Confident | 22.8 Ų | 22.8 | 34.3 Ų | 34.3 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -48.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1804 G1805 L1806 L1810 S1811 A1812 T2765 E2768 | D1804-G1808 PolarHBondContact O-N 3.21Å; D1804-G1808 VanDerWaalsContact O-N 3.12Å; G1805-G1808 WeakPolarHBondContact O-CA 3.21Å; G1805-G1808 PolarHBondContact O-N 3.05Å; G1805-G1808 VanDerWaalsContact O-N 3.11Å; L1806-G1808 VanDerWaalsContact C-N 3.27Å; L1806-G1808 PolarHBondContact O-N 3Å; G1808-L1810 VanDerWaalsContact C-N 3.33Å; G1808-L1810 PolarHBondContact O-N 3.09Å; G1808-S1811 PolarHBondContact O-N 3.23Å; G1808-S1811 PolarHBondContact O-OG 3.15Å; G1808-A1812 VanDerWaalsContact O-CB 3.27Å; G1808-A1812 WeakPolarHBondContact O-CB 3.45Å; G1808-A1812 PolarHBondContact O-N 2.96Å; G1808-A1812 VanDerWaalsContact O-N 3.12Å; G1808-T2765 VanDerWaalsContact C-CG2 3.44Å; G1808-E2768 WeakPolarHBondContact CA-O 3.35Å |
| 1809 | V | 81.3 | Confident | 74.5 | Confident | 8.8 Ų | 8.8 | 34.8 Ų | 34.8 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.3 | -37.3 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | L1790 L1793 L1794 Y1797 G1805 L1806 S1811 A1812 T1813 T2765 | L1790-V1809 HydrophobicContact CD2-CG1 4.18Å; L1790-V1809 WeakPolarHBondContact O-CG1 3.19Å; L1793-V1809 HydrophobicContact CB-CG1 3.97Å; L1793-V1809 HydrophobicContact CB-CG2 3.99Å; L1793-V1809 HydrophobicContact CD1-CG2 4.39Å; L1794-V1809 HydrophobicContact CB-CG1 4.02Å; L1794-V1809 HydrophobicContact CD2-CB 3.91Å; L1794-V1809 HydrophobicContact CD2-CG1 3.59Å; L1794-V1809 HydrophobicContact CG-CB 4.42Å; L1794-V1809 HydrophobicContact CG-CG1 3.71Å; Y1797-V1809 HydrophobicContact CD2-CG2 3.66Å; Y1797-V1809 HydrophobicContact CE2-CG2 3.56Å; Y1797-V1809 VanDerWaalsContact CE2-CG2 3.46Å; G1805-V1809 WeakPolarHBondContact O-CG2 3.31Å; G1805-V1809 PolarHBondContact O-N 3.3Å; G1805-V1809 VanDerWaalsContact O-N 3.1Å; L1806-V1809 PolarHBondContact O-N 2.97Å; L1806-V1809 VanDerWaalsContact O-N 3.12Å; V1809-S1811 PolarHBondContact O-N 2.79Å; V1809-A1812 WeakPolarHBondContact O-CB 3.29Å; V1809-A1812 PolarHBondContact O-N 3.13Å; V1809-T1813 HydrophobicContact CG1-CG2 4.29Å; V1809-T1813 VanDerWaalsContact O-CB 3.27Å; V1809-T1813 WeakPolarHBondContact O-CB 3.32Å; V1809-T1813 WeakPolarHBondContact O-CG2 3.37Å; V1809-T1813 PolarHBondContact O-N 3.24Å; V1809-T1813 PolarHBondContact O-OG1 3.14Å; V1809-T2765 HydrophobicContact CB-CG2 4.31Å; V1809-T2765 HydrophobicContact CG2-CG2 3.49Å; V1809-T2765 VanDerWaalsContact CG2-CG2 3.49Å |
| 1810 | L | 77.1 | Confident | 72.9 | Confident | 2.6 Ų | 2.6 | 37.2 Ų | 37.2 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 175.6 | -75.6 | 172.5 | 0 | 0 | 0 | 111.8 | L1794 L1806 A1807 G1808 A1812 T1813 Q1814 L1852 E1856 | L1794-L1810 HydrophobicContact CD1-CD2 4.12Å; L1794-L1810 HydrophobicContact CD1-CG 4.05Å; L1794-L1810 HydrophobicContact CD2-CB 4.44Å; L1794-L1810 HydrophobicContact CD2-CD2 3.47Å; L1794-L1810 VanDerWaalsContact CD2-CD2 3.44Å; L1794-L1810 HydrophobicContact CD2-CG 3.59Å; L1794-L1810 HydrophobicContact CG-CD2 4.5Å; L1806-L1810 HydrophobicContact CD1-CD1 4.34Å; L1806-L1810 HydrophobicContact CD1-CG 4.33Å; L1806-L1810 HydrophobicContact CD2-CD1 4.18Å; L1806-L1810 HydrophobicContact CG-CD1 3.87Å; L1806-L1810 HydrophobicContact CG-CG 4.18Å; L1806-L1810 VanDerWaalsContact O-CB 3.3Å; L1806-L1810 WeakPolarHBondContact O-CB 3.31Å; L1806-L1810 VanDerWaalsContact O-CG 3.23Å; L1806-L1810 WeakPolarHBondContact O-CG 3.41Å; L1806-L1810 PolarHBondContact O-N 3.09Å; A1807-L1810 PolarHBondContact O-N 3.21Å; G1808-L1810 VanDerWaalsContact C-N 3.33Å; G1808-L1810 PolarHBondContact O-N 3.09Å; L1810-A1812 VanDerWaalsContact C-N 3.31Å; L1810-A1812 PolarHBondContact O-N 3.41Å; L1810-T1813 VanDerWaalsContact CA-OG1 3.27Å; L1810-T1813 WeakPolarHBondContact CA-OG1 3.4Å; L1810-T1813 PolarHBondContact O-N 3.26Å; L1810-T1813 VanDerWaalsContact O-N 3.15Å; L1810-T1813 PolarHBondContact O-OG1 3.29Å; L1810-Q1814 WeakPolarHBondContact O-CB 3.4Å; L1810-Q1814 VanDerWaalsContact O-CG 3.26Å; L1810-Q1814 WeakPolarHBondContact O-CG 3.34Å; L1810-Q1814 PolarHBondContact O-N 3.17Å; L1810-L1852 HydrophobicContact CD2-CB 3.94Å; L1810-L1852 HydrophobicContact CD2-CD2 3.91Å; L1810-L1852 HydrophobicContact CD2-CG 4.37Å; L1810-E1856 HydrophobicContact CD1-CB 3.46Å; L1810-E1856 VanDerWaalsContact CD1-CB 3.45Å; L1810-E1856 VanDerWaalsContact CD1-CD 3.43Å; L1810-E1856 HydrophobicContact CD1-CG 3.58Å; L1810-E1856 VanDerWaalsContact CD1-OE2 3.32Å; L1810-E1856 WeakPolarHBondContact CD1-OE2 3.5Å |
| 1811 | S | 74.2 | Confident | 71.2 | Confident | 42.6 Ų | 42.6 | 39.5 Ų | 39.5 | 30% | 0.298 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.3 | 71.7 | 0 | 0 | 0 | 0 | 111.3 | A1807 G1808 V1809 T1813 Q1814 L1815 E2768 | A1807-S1811 WeakPolarHBondContact O-CB 3.42Å; A1807-S1811 PolarHBondContact O-N 3.09Å; A1807-S1811 PolarHBondContact O-OG 2.96Å; G1808-S1811 PolarHBondContact O-N 3.23Å; G1808-S1811 PolarHBondContact O-OG 3.15Å; V1809-S1811 PolarHBondContact O-N 2.79Å; S1811-T1813 VanDerWaalsContact C-N 3.33Å; S1811-T1813 PolarHBondContact O-N 3.16Å; S1811-Q1814 PolarHBondContact O-N 3.12Å; S1811-L1815 WeakPolarHBondContact O-CB 3.33Å; S1811-L1815 WeakPolarHBondContact O-CD1 3.42Å; S1811-L1815 VanDerWaalsContact O-CG 3.23Å; S1811-L1815 WeakPolarHBondContact O-CG 3.38Å; S1811-L1815 PolarHBondContact O-N 3.1Å; S1811-L1815 VanDerWaalsContact O-N 3.1Å; S1811-E2768 VanDerWaalsContact OG-CB 3.3Å; S1811-E2768 WeakPolarHBondContact OG-CB 3.36Å |
| 1812 | A | 73.4 | Confident | 69.7 | Low | 26.4 Ų | 26.4 | 41.6 Ų | 41.6 | 22% | 0.218 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1743 G1808 V1809 L1810 L1815 S1816 | I1743-A1812 HydrophobicContact CD1-CB 3.77Å; G1808-A1812 VanDerWaalsContact O-CB 3.27Å; G1808-A1812 WeakPolarHBondContact O-CB 3.45Å; G1808-A1812 PolarHBondContact O-N 2.96Å; G1808-A1812 VanDerWaalsContact O-N 3.12Å; V1809-A1812 WeakPolarHBondContact O-CB 3.29Å; V1809-A1812 PolarHBondContact O-N 3.13Å; L1810-A1812 VanDerWaalsContact C-N 3.31Å; L1810-A1812 PolarHBondContact O-N 3.41Å; A1812-L1815 PolarHBondContact O-N 3.3Å; A1812-S1816 WeakPolarHBondContact O-CB 3.36Å; A1812-S1816 PolarHBondContact O-N 3.11Å; A1812-S1816 PolarHBondContact O-OG 2.98Å; A1812-S1816 VanDerWaalsContact O-OG 3.07Å |
| 1813 | T | 71.4 | Confident | 67.7 | Low | 3.2 Ų | 3.2 | 43 Ų | 43 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 176.6 | 40.1 | 0 | 0 | 0 | 0 | 111.5 | L1790 L1794 V1809 L1810 S1811 L1815 S1816 F1817 | L1790-T1813 HydrophobicContact CB-CG2 3.65Å; L1790-T1813 HydrophobicContact CD1-CG2 3.78Å; L1790-T1813 HydrophobicContact CD2-CG2 4.34Å; L1790-T1813 HydrophobicContact CG-CG2 4.13Å; L1794-T1813 HydrophobicContact CD1-CG2 4.03Å; L1794-T1813 HydrophobicContact CD2-CG2 4.44Å; L1794-T1813 HydrophobicContact CG-CG2 4.21Å; V1809-T1813 HydrophobicContact CG1-CG2 4.29Å; V1809-T1813 VanDerWaalsContact O-CB 3.27Å; V1809-T1813 WeakPolarHBondContact O-CB 3.32Å; V1809-T1813 WeakPolarHBondContact O-CG2 3.37Å; V1809-T1813 PolarHBondContact O-N 3.24Å; V1809-T1813 PolarHBondContact O-OG1 3.14Å; L1810-T1813 VanDerWaalsContact CA-OG1 3.27Å; L1810-T1813 WeakPolarHBondContact CA-OG1 3.4Å; L1810-T1813 PolarHBondContact O-N 3.26Å; L1810-T1813 VanDerWaalsContact O-N 3.15Å; L1810-T1813 PolarHBondContact O-OG1 3.29Å; S1811-T1813 VanDerWaalsContact C-N 3.33Å; S1811-T1813 PolarHBondContact O-N 3.16Å; T1813-L1815 VanDerWaalsContact C-N 3.32Å; T1813-L1815 PolarHBondContact O-N 2.91Å; T1813-S1816 WeakPolarHBondContact CA-OG 3.46Å; T1813-S1816 WeakPolarHBondContact O-CB 3.11Å; T1813-S1816 PolarHBondContact O-N 3.17Å; T1813-S1816 VanDerWaalsContact O-N 3.11Å; T1813-S1816 PolarHBondContact O-OG 3.26Å; T1813-F1817 HydrophobicContact CG2-CD2 3.77Å; T1813-F1817 HydrophobicContact CG2-CE2 3.37Å; T1813-F1817 HydrophobicContact CG2-CZ 4.35Å; T1813-F1817 WeakPolarHBondContact O-CD2 3.41Å; T1813-F1817 PolarHBondContact O-N 3.08Å; T1813-F1817 VanDerWaalsContact O-N 3.1Å |
| 1814 | Q | 68.8 | Low | 65.8 | Low | 66 Ų | 66 | 46 Ų | 46 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 177.3 | -72.9 | 177.9 | 3.1 | 0 | 0 | 111.6 | L1810 S1811 S1816 F1817 T1818 F1849 L1852 | L1810-Q1814 WeakPolarHBondContact O-CB 3.4Å; L1810-Q1814 VanDerWaalsContact O-CG 3.26Å; L1810-Q1814 WeakPolarHBondContact O-CG 3.34Å; L1810-Q1814 PolarHBondContact O-N 3.17Å; S1811-Q1814 PolarHBondContact O-N 3.12Å; Q1814-S1816 VanDerWaalsContact C-N 3.31Å; Q1814-S1816 PolarHBondContact O-N 2.88Å; Q1814-F1817 PolarHBondContact O-N 3.19Å; Q1814-T1818 WeakPolarHBondContact O-CG2 3.35Å; Q1814-T1818 PolarHBondContact O-N 3.11Å; Q1814-T1818 VanDerWaalsContact O-N 3.12Å; Q1814-T1818 PolarHBondContact O-OG1 3.36Å; Q1814-F1849 HydrophobicContact CB-CD1 4.28Å; Q1814-F1849 HydrophobicContact CB-CE1 3.87Å; Q1814-F1849 HydrophobicContact CG-CD1 3.98Å; Q1814-F1849 HydrophobicContact CG-CE1 3.76Å; Q1814-L1852 HydrophobicContact CG-CD1 4.5Å |
| 1815 | L | 63.9 | Low | 63.9 | Low | 48.8 Ų | 48.8 | 48.9 Ų | 48.9 | 26% | 0.255 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 178.7 | -68.5 | 169.1 | 0 | 0 | 0 | 112.6 | T1739 I1743 R1745 S1811 A1812 T1813 F1817 T1818 A1819 | T1739-L1815 HydrophobicContact CG2-CB 3.41Å; T1739-L1815 VanDerWaalsContact CG2-CB 3.47Å; T1739-L1815 HydrophobicContact CG2-CD1 3.88Å; T1739-L1815 HydrophobicContact CG2-CG 4.26Å; I1743-L1815 HydrophobicContact CD1-CD1 3.69Å; I1743-L1815 HydrophobicContact CD1-CD2 3.86Å; I1743-L1815 HydrophobicContact CD1-CG 4.37Å; I1743-L1815 HydrophobicContact CG1-CD1 3.89Å; I1743-L1815 HydrophobicContact CG1-CD2 4.37Å; I1743-L1815 HydrophobicContact CG2-CB 3.44Å; I1743-L1815 VanDerWaalsContact CG2-CB 3.44Å; I1743-L1815 HydrophobicContact CG2-CD1 4.13Å; I1743-L1815 HydrophobicContact CG2-CG 4.43Å; R1745-L1815 HydrophobicContact CB-CD2 4.29Å; R1745-L1815 HydrophobicContact CG-CD1 3.94Å; R1745-L1815 HydrophobicContact CG-CD2 3.27Å; R1745-L1815 HydrophobicContact CG-CG 4.25Å; S1811-L1815 WeakPolarHBondContact O-CB 3.33Å; S1811-L1815 WeakPolarHBondContact O-CD1 3.42Å; S1811-L1815 VanDerWaalsContact O-CG 3.23Å; S1811-L1815 WeakPolarHBondContact O-CG 3.38Å; S1811-L1815 PolarHBondContact O-N 3.1Å; S1811-L1815 VanDerWaalsContact O-N 3.1Å; A1812-L1815 PolarHBondContact O-N 3.3Å; T1813-L1815 VanDerWaalsContact C-N 3.32Å; T1813-L1815 PolarHBondContact O-N 2.91Å; L1815-F1817 VanDerWaalsContact C-N 3.3Å; L1815-F1817 PolarHBondContact O-N 3.21Å; L1815-T1818 WeakPolarHBondContact CA-OG1 3.38Å; L1815-T1818 PolarHBondContact O-N 3.19Å; L1815-T1818 VanDerWaalsContact O-N 3.12Å; L1815-T1818 PolarHBondContact O-OG1 3.12Å; L1815-T1818 VanDerWaalsContact O-OG1 3.09Å; L1815-A1819 PolarHBondContact O-N 3.24Å |
| 1816 | S | 61.6 | Low | 61.8 | Low | 13.6 Ų | 13.6 | 55.6 Ų | 55.6 | 10% | 0.095 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 176.3 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | A1812 T1813 Q1814 A1819 F1820 | A1812-S1816 WeakPolarHBondContact O-CB 3.36Å; A1812-S1816 PolarHBondContact O-N 3.11Å; A1812-S1816 PolarHBondContact O-OG 2.98Å; A1812-S1816 VanDerWaalsContact O-OG 3.07Å; T1813-S1816 WeakPolarHBondContact CA-OG 3.46Å; T1813-S1816 WeakPolarHBondContact O-CB 3.11Å; T1813-S1816 PolarHBondContact O-N 3.17Å; T1813-S1816 VanDerWaalsContact O-N 3.11Å; T1813-S1816 PolarHBondContact O-OG 3.26Å; Q1814-S1816 VanDerWaalsContact C-N 3.31Å; Q1814-S1816 PolarHBondContact O-N 2.88Å; S1816-A1819 WeakPolarHBondContact O-CB 3.25Å; S1816-A1819 PolarHBondContact O-N 3.17Å; S1816-F1820 PolarHBondContact O-N 3.3Å; S1816-F1820 VanDerWaalsContact O-N 3.11Å |
| 1817 | F | 60.4 | Low | 59.7 | Low | 40.6 Ų | 40.6 | 62.5 Ų | 62.5 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.4 | -37.6 | 175 | -76.9 | -63 | 0 | 0 | 0 | 113.8 | L1613 I1616 F1787 T1813 Q1814 L1815 A1819 F1820 R1821 F1849 | L1613-F1817 HydrophobicContact CD1-CE2 4.24Å; L1613-F1817 HydrophobicContact CD1-CZ 4Å; L1613-F1817 HydrophobicContact CD2-CE1 4.49Å; L1613-F1817 HydrophobicContact CD2-CE2 3.98Å; L1613-F1817 HydrophobicContact CD2-CZ 3.48Å; L1613-F1817 VanDerWaalsContact CD2-CZ 3.43Å; L1613-F1817 HydrophobicContact CG-CZ 4.24Å; I1616-F1817 HydrophobicContact CD1-CE1 3.98Å; I1616-F1817 HydrophobicContact CD1-CZ 4.38Å; I1616-F1817 HydrophobicContact CG1-CE1 4.3Å; F1787-F1817 HydrophobicContact CD1-CE1 4.42Å; F1787-F1817 HydrophobicContact CD1-CZ 4.21Å; F1787-F1817 HydrophobicContact CD2-CZ 4.14Å; F1787-F1817 HydrophobicContact CE1-CD1 4.12Å; F1787-F1817 AromaticContact CE1-CE1 3.6Å; F1787-F1817 HydrophobicContact CE1-CE1 3.6Å; F1787-F1817 HydrophobicContact CE1-CE2 4.29Å; F1787-F1817 AromaticContact CE1-CZ 3.66Å; F1787-F1817 HydrophobicContact CE1-CZ 3.66Å; F1787-F1817 VanDerWaalsContact CE1-CZ 3.46Å; F1787-F1817 AromaticContact CE2-CE1 3.57Å; F1787-F1817 HydrophobicContact CE2-CE1 3.85Å; F1787-F1817 AromaticContact CE2-CE2 3.51Å; F1787-F1817 HydrophobicContact CE2-CE2 3.86Å; F1787-F1817 AromaticContact CE2-CZ 3.21Å; F1787-F1817 HydrophobicContact CE2-CZ 3.21Å; F1787-F1817 HydrophobicContact CZ-CD1 4.34Å; F1787-F1817 AromaticContact CZ-CE1 3.91Å; F1787-F1817 HydrophobicContact CZ-CE1 4.01Å; F1787-F1817 HydrophobicContact CZ-CE2 4.12Å; F1787-F1817 AromaticContact CZ-CZ 3.54Å; F1787-F1817 HydrophobicContact CZ-CZ 3.8Å; T1813-F1817 HydrophobicContact CG2-CD2 3.77Å; T1813-F1817 HydrophobicContact CG2-CE2 3.37Å; T1813-F1817 HydrophobicContact CG2-CZ 4.35Å; T1813-F1817 WeakPolarHBondContact O-CD2 3.41Å; T1813-F1817 PolarHBondContact O-N 3.08Å; T1813-F1817 VanDerWaalsContact O-N 3.1Å; Q1814-F1817 PolarHBondContact O-N 3.19Å; L1815-F1817 VanDerWaalsContact C-N 3.3Å; L1815-F1817 PolarHBondContact O-N 3.21Å; F1817-A1819 VanDerWaalsContact C-N 3.32Å; F1817-A1819 PolarHBondContact O-N 3.29Å; F1817-F1820 WeakPolarHBondContact O-CB 3.25Å; F1817-F1820 PolarHBondContact O-N 3.06Å; F1817-R1821 PolarHBondContact O-N 3.26Å; F1817-R1821 VanDerWaalsContact O-N 3.11Å; F1817-F1849 HydrophobicContact CB-CE2 4.31Å; F1817-F1849 HydrophobicContact CB-CZ 3.69Å; F1817-F1849 HydrophobicContact CD2-CE1 4.06Å; F1817-F1849 HydrophobicContact CD2-CE2 4.19Å; F1817-F1849 AromaticContact CD2-CZ 3.38Å; F1817-F1849 HydrophobicContact CD2-CZ 3.38Å; F1817-F1849 HydrophobicContact CE2-CZ 4.1Å; F1817-F1849 HydrophobicContact CG-CE2 4.18Å; F1817-F1849 AromaticContact CG-CZ 3.64Å; F1817-F1849 HydrophobicContact CG-CZ 3.64Å |
| 1818 | T | 56 | Low | 57.7 | Low | 67.8 Ų | 67.8 | 66.4 Ų | 66.4 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 177 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | Q1814 L1815 R1821 Q1822 F1849 | Q1814-T1818 WeakPolarHBondContact O-CG2 3.35Å; Q1814-T1818 PolarHBondContact O-N 3.11Å; Q1814-T1818 VanDerWaalsContact O-N 3.12Å; Q1814-T1818 PolarHBondContact O-OG1 3.36Å; L1815-T1818 WeakPolarHBondContact CA-OG1 3.38Å; L1815-T1818 PolarHBondContact O-N 3.19Å; L1815-T1818 VanDerWaalsContact O-N 3.12Å; L1815-T1818 PolarHBondContact O-OG1 3.12Å; L1815-T1818 VanDerWaalsContact O-OG1 3.09Å; T1818-R1821 VanDerWaalsContact O-CB 3.26Å; T1818-R1821 WeakPolarHBondContact O-CB 3.24Å; T1818-R1821 PolarHBondContact O-N 3.29Å; T1818-Q1822 PolarHBondContact O-N 3.16Å; T1818-F1849 HydrophobicContact CG2-CZ 4.35Å |
| 1819 | A | 51.4 | Low | 55.8 | Low | 27.2 Ų | 27.2 | 73.7 Ų | 73.7 | 23% | 0.225 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1739 N1780 L1815 S1816 F1817 R1821 Q1822 E1823 | T1739-A1819 HydrophobicContact CG2-CB 3.61Å; N1780-A1819 HydrophobicContact CB-CB 3.92Å; L1815-A1819 PolarHBondContact O-N 3.24Å; S1816-A1819 WeakPolarHBondContact O-CB 3.25Å; S1816-A1819 PolarHBondContact O-N 3.17Å; F1817-A1819 VanDerWaalsContact C-N 3.32Å; F1817-A1819 PolarHBondContact O-N 3.29Å; A1819-R1821 VanDerWaalsContact C-N 3.26Å; A1819-R1821 PolarHBondContact O-N 3.19Å; A1819-R1821 VanDerWaalsContact O-N 3.09Å; A1819-Q1822 PolarHBondContact O-N 3.1Å; A1819-Q1822 VanDerWaalsContact O-N 3.07Å; A1819-E1823 PolarHBondContact O-N 3.3Å |
| 1820 | F | 49.4 | Very low | 53.9 | Low | 83.2 Ų | 83.2 | 81.8 Ų | 81.8 | 37% | 0.365 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.3 | -32.3 | 177.2 | -156.2 | -91 | 0 | 0 | 0 | 112.5 | S1816 F1817 Q1822 E1823 F1824 | S1816-F1820 PolarHBondContact O-N 3.3Å; S1816-F1820 VanDerWaalsContact O-N 3.11Å; F1817-F1820 WeakPolarHBondContact O-CB 3.25Å; F1817-F1820 PolarHBondContact O-N 3.06Å; F1820-Q1822 VanDerWaalsContact C-N 3.3Å; F1820-Q1822 PolarHBondContact O-N 2.82Å; F1820-E1823 PolarHBondContact O-N 3.14Å; F1820-F1824 HydrophobicContact CD1-CD2 4.23Å; F1820-F1824 HydrophobicContact CD1-CE2 4.18Å; F1820-F1824 AromaticContact CE1-CD2 3.78Å; F1820-F1824 HydrophobicContact CE1-CD2 3.84Å; F1820-F1824 AromaticContact CE1-CE2 3.67Å; F1820-F1824 HydrophobicContact CE1-CE2 3.86Å; F1820-F1824 VanDerWaalsContact CE1-CE2 3.43Å; F1820-F1824 AromaticContact CZ-CD2 3.96Å; F1820-F1824 HydrophobicContact CZ-CD2 4.12Å; F1820-F1824 AromaticContact CZ-CE2 3.84Å; F1820-F1824 HydrophobicContact CZ-CE2 4.06Å; F1820-F1824 PolarHBondContact O-N 3.12Å |
| 1821 | R | 45.8 | Very low | 51.9 | Low | 108 Ų | 108 | 89.4 Ų | 89.4 | 41% | 0.408 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 177.5 | -158.6 | -176.3 | -138.4 | 174.7 | 3.9 | 112.5 | F1817 T1818 A1819 E1823 F1824 Y1825 T1845 | F1817-R1821 PolarHBondContact O-N 3.26Å; F1817-R1821 VanDerWaalsContact O-N 3.11Å; T1818-R1821 VanDerWaalsContact O-CB 3.26Å; T1818-R1821 WeakPolarHBondContact O-CB 3.24Å; T1818-R1821 PolarHBondContact O-N 3.29Å; A1819-R1821 VanDerWaalsContact C-N 3.26Å; A1819-R1821 PolarHBondContact O-N 3.19Å; A1819-R1821 VanDerWaalsContact O-N 3.09Å; R1821-E1823 VanDerWaalsContact C-N 3.32Å; R1821-E1823 PolarHBondContact O-N 3.21Å; R1821-F1824 PolarHBondContact O-N 3.29Å; R1821-Y1825 HydrophobicContact CG-CD2 4.2Å; R1821-Y1825 HydrophobicContact CG-CE2 3.85Å; R1821-Y1825 VanDerWaalsContact O-CD2 3.29Å; R1821-Y1825 WeakPolarHBondContact O-CD2 3.34Å; R1821-Y1825 PolarHBondContact O-N 3.21Å; R1821-T1845 PolarHBondContact NH2-OG1 3.1Å |
| 1822 | Q | 45.9 | Very low | 50.2 | Low | 128 Ų | 128 | 92.8 Ų | 92.8 | 60% | 0.598 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.9 | -32.6 | -177.3 | -76.3 | -175.2 | -6.8 | 0 | 0 | 112.8 | T1818 A1819 F1820 Y1825 K1826 | T1818-Q1822 PolarHBondContact O-N 3.16Å; A1819-Q1822 PolarHBondContact O-N 3.1Å; A1819-Q1822 VanDerWaalsContact O-N 3.07Å; F1820-Q1822 VanDerWaalsContact C-N 3.3Å; F1820-Q1822 PolarHBondContact O-N 2.82Å; Q1822-Y1825 PolarHBondContact O-N 3.16Å; Q1822-K1826 PolarHBondContact O-N 3.21Å |
| 1823 | E | 41.8 | Very low | 48.6 | Very low | 72.2 Ų | 72.2 | 101 Ų | 101 | 34% | 0.337 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 176 | -73.2 | 178.5 | 168.9 | 0 | 0 | 111.8 | S1779 G1781 A1819 F1820 R1821 Y1825 K1826 E1827 | S1779-E1823 VanDerWaalsContact CA-OE1 3.28Å; S1779-E1823 WeakPolarHBondContact CA-OE1 3.42Å; S1779-E1823 WeakPolarHBondContact CB-OE1 3.36Å; G1781-E1823 PolarHBondContact N-OE2 3.3Å; A1819-E1823 PolarHBondContact O-N 3.3Å; F1820-E1823 PolarHBondContact O-N 3.14Å; R1821-E1823 VanDerWaalsContact C-N 3.32Å; R1821-E1823 PolarHBondContact O-N 3.21Å; E1823-Y1825 VanDerWaalsContact C-N 3.27Å; E1823-Y1825 PolarHBondContact O-N 3.07Å; E1823-Y1825 VanDerWaalsContact O-N 3.16Å; E1823-K1826 PolarHBondContact O-N 3.03Å; E1823-K1826 VanDerWaalsContact O-N 3.12Å; E1823-E1827 PolarHBondContact O-N 3.33Å; E1823-E1827 VanDerWaalsContact O-N 3.13Å |
| 1824 | F | 40.8 | Very low | 47 | Very low | 98.6 Ų | 98.6 | 106.2 Ų | 106.2 | 43% | 0.432 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -28.2 | -179.8 | -111.2 | -83.1 | 0 | 0 | 0 | 113.9 | F1820 R1821 K1828 | F1820-F1824 HydrophobicContact CD1-CD2 4.23Å; F1820-F1824 HydrophobicContact CD1-CE2 4.18Å; F1820-F1824 AromaticContact CE1-CD2 3.78Å; F1820-F1824 HydrophobicContact CE1-CD2 3.84Å; F1820-F1824 AromaticContact CE1-CE2 3.67Å; F1820-F1824 HydrophobicContact CE1-CE2 3.86Å; F1820-F1824 VanDerWaalsContact CE1-CE2 3.43Å; F1820-F1824 AromaticContact CZ-CD2 3.96Å; F1820-F1824 HydrophobicContact CZ-CD2 4.12Å; F1820-F1824 AromaticContact CZ-CE2 3.84Å; F1820-F1824 HydrophobicContact CZ-CE2 4.06Å; F1820-F1824 PolarHBondContact O-N 3.12Å; R1821-F1824 PolarHBondContact O-N 3.29Å; F1824-K1828 HydrophobicContact CD1-CD 4.28Å; F1824-K1828 HydrophobicContact CE1-CD 4.36Å; F1824-K1828 PolarHBondContact O-N 2.9Å |
| 1825 | Y | 44.4 | Very low | 45.4 | Very low | 132.8 Ų | 132.8 | 108.4 Ų | 108.4 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -77.3 | -26.9 | 174.9 | -82.4 | -71.4 | 0 | 0 | 0 | 113.1 | R1821 Q1822 E1823 Q1829 | R1821-Y1825 HydrophobicContact CG-CD2 4.2Å; R1821-Y1825 HydrophobicContact CG-CE2 3.85Å; R1821-Y1825 VanDerWaalsContact O-CD2 3.29Å; R1821-Y1825 WeakPolarHBondContact O-CD2 3.34Å; R1821-Y1825 PolarHBondContact O-N 3.21Å; Q1822-Y1825 PolarHBondContact O-N 3.16Å; E1823-Y1825 VanDerWaalsContact C-N 3.27Å; E1823-Y1825 PolarHBondContact O-N 3.07Å; E1823-Y1825 VanDerWaalsContact O-N 3.16Å; Y1825-Q1829 PolarHBondContact O-N 2.88Å |
| 1826 | K | 41.5 | Very low | 44.2 | Very low | 148.6 Ų | 148.6 | 113.2 Ų | 113.2 | 65% | 0.646 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -77.8 | -39.4 | 179 | -76.9 | -177.4 | 178 | 177.8 | 0 | 112.5 | Q1822 E1823 K1828 Q1829 | Q1822-K1826 PolarHBondContact O-N 3.21Å; E1823-K1826 PolarHBondContact O-N 3.03Å; E1823-K1826 VanDerWaalsContact O-N 3.12Å; K1826-K1828 VanDerWaalsContact C-N 3.3Å; K1826-K1828 PolarHBondContact O-N 3.02Å; K1826-Q1829 PolarHBondContact O-N 2.98Å |
| 1827 | E | 41.1 | Very low | 43.1 | Very low | 148.4 Ų | 148.4 | 119.8 Ų | 119.8 | 69% | 0.693 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69 | -28 | 178.5 | -75.7 | -173.7 | 154.4 | 0 | 0 | 113.2 | E1823 H1830 | E1823-E1827 PolarHBondContact O-N 3.33Å; E1823-E1827 VanDerWaalsContact O-N 3.13Å; E1827-H1830 PolarHBondContact O-N 3.49Å |
| 1828 | K | 39.3 | Very low | 41.8 | Very low | 104.4 Ų | 104.4 | 121.4 Ų | 121.4 | 45% | 0.454 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -93.1 | 1.1 | -174.6 | -79.8 | -173.5 | 177 | 175.9 | 0 | 116.5 | F1824 K1826 H1830 E1831 N1838 | F1824-K1828 HydrophobicContact CD1-CD 4.28Å; F1824-K1828 HydrophobicContact CE1-CD 4.36Å; F1824-K1828 PolarHBondContact O-N 2.9Å; K1826-K1828 VanDerWaalsContact C-N 3.3Å; K1826-K1828 PolarHBondContact O-N 3.02Å; K1828-H1830 PolarHBondContact O-N 3.26Å; K1828-H1830 VanDerWaalsContact O-N 3.13Å; K1828-E1831 PolarHBondContact O-N 3.31Å; K1828-E1831 VanDerWaalsContact O-N 3.11Å; K1828-N1838 PolarHBondContact NZ-ND2 2.88Å |
| 1829 | Q | 41.6 | Very low | 40.8 | Very low | 176.4 Ų | 176.4 | 125.5 Ų | 125.5 | 82% | 0.824 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -65.4 | -10 | 167.2 | -75.5 | -154.7 | -6.8 | 0 | 0 | 113 | Y1825 K1826 | Y1825-Q1829 PolarHBondContact O-N 2.88Å; K1826-Q1829 PolarHBondContact O-N 2.98Å |
| 1830 | H | 43.1 | Very low | 40.3 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 82% | 0.824 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -96.2 | -4.2 | 175.4 | -83.7 | -67.4 | 0 | 0 | 0 | 116.5 | E1827 K1828 | E1827-H1830 PolarHBondContact O-N 3.49Å; K1828-H1830 PolarHBondContact O-N 3.26Å; K1828-H1830 VanDerWaalsContact O-N 3.13Å |
| 1831 | E | 35 | Very low | 39.8 | Very low | 163.4 Ų | 163.4 | 131.8 Ų | 131.8 | 76% | 0.764 | 63% | 0.632 | S | S | * | * | trans | -132.2 | 90.4 | 176 | -74.3 | -168.9 | 160 | 0 | 0 | 112.9 | K1828 K1833 | K1828-E1831 PolarHBondContact O-N 3.31Å; K1828-E1831 VanDerWaalsContact O-N 3.11Å; E1831-K1833 PolarHBondContact O-N 2.98Å | ||
| 1832 | S | 36.9 | Very low | 39.4 | Very low | 113.4 Ų | 113.4 | 130.5 Ų | 130.5 | 79% | 0.793 | 63% | 0.633 | S | S | * | * | trans | -73.9 | 99.7 | 172 | 81.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1833 | K | 41.2 | Very low | 39.3 | Very low | 198.2 Ų | 198.2 | 126.8 Ų | 126.8 | 86% | 0.862 | 62% | 0.621 | S | S | * | * | trans | 153.7 | 48.6 | 166.1 | -75.9 | 174.7 | -176.9 | 179.3 | 0 | 116.1 | E1831 | E1831-K1833 PolarHBondContact O-N 2.98Š| ||
| 1834 | L | 37.5 | Very low | 39.7 | Very low | 113.2 Ų | 113.2 | 125.6 Ų | 125.6 | 59% | 0.593 | 62% | 0.617 | S | S | * | * | trans | -142.5 | 65.5 | 164 | -137.3 | 93.4 | 0 | 0 | 0 | 113.4 | N1836 K1837 N1838 | L1834-N1836 VanDerWaalsContact C-N 3.29Å; L1834-N1836 PolarHBondContact O-N 3.2Å; L1834-N1836 VanDerWaalsContact O-N 3.17Å; L1834-K1837 HydrophobicContact CD2-CB 3.9Å; L1834-K1837 HydrophobicContact CD2-CD 3.57Å; L1834-K1837 VanDerWaalsContact CD2-CE 3.49Å; L1834-K1837 HydrophobicContact CD2-CG 3.75Å; L1834-K1837 HydrophobicContact CG-CG 4.47Å; L1834-N1838 PolarHBondContact O-ND2 3.44Å | ||
| 1835 | C | 35 | Very low | 40.2 | Very low | 110.8 Ų | 110.8 | 122.3 Ų | 122.3 | 75% | 0.749 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 1.1 | -175.8 | -141.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1836 | N | 39.5 | Very low | 40.6 | Very low | 151.4 Ų | 151.4 | 118.8 Ų | 118.8 | 81% | 0.81 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -20.4 | 178.9 | -84.7 | -7.4 | 0 | 0 | 0 | 115.1 | L1834 | L1834-N1836 VanDerWaalsContact C-N 3.29Å; L1834-N1836 PolarHBondContact O-N 3.2Å; L1834-N1836 VanDerWaalsContact O-N 3.17Å |
| 1837 | K | 37.6 | Very low | 41.4 | Very low | 151.6 Ų | 151.6 | 113.1 Ų | 113.1 | 66% | 0.659 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78.1 | -24.2 | 176.4 | -78.1 | -173 | -177.8 | 174.6 | 0 | 113.2 | L1834 M1839 L1841 | L1834-K1837 HydrophobicContact CD2-CB 3.9Å; L1834-K1837 HydrophobicContact CD2-CD 3.57Å; L1834-K1837 VanDerWaalsContact CD2-CE 3.49Å; L1834-K1837 HydrophobicContact CD2-CG 3.75Å; L1834-K1837 HydrophobicContact CG-CG 4.47Å; K1837-M1839 PolarHBondContact O-N 3.25Å; K1837-L1841 PolarHBondContact O-N 2.95Å |
| 1838 | N | 34 | Very low | 42.4 | Very low | 74.2 Ų | 74.2 | 107.9 Ų | 107.9 | 40% | 0.397 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.9 | -32.1 | -174.9 | -68.7 | -16.6 | 0 | 0 | 0 | 113.4 | K1828 L1834 K1840 L1841 L1842 | K1828-N1838 PolarHBondContact NZ-ND2 2.88Å; L1834-N1838 PolarHBondContact O-ND2 3.44Å; N1838-K1840 VanDerWaalsContact C-N 3.29Å; N1838-K1840 PolarHBondContact O-N 2.87Å; N1838-L1841 PolarHBondContact O-N 3.38Å; N1838-L1842 PolarHBondContact O-N 3.11Å |
| 1839 | M | 34.1 | Very low | 43.7 | Very low | 152.6 Ų | 152.6 | 106.2 Ų | 106.2 | 75% | 0.752 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.3 | -32.1 | -179.1 | -152.9 | 155.9 | 90.1 | 0 | 0 | 112.7 | K1837 L1841 L1842 S1843 | K1837-M1839 PolarHBondContact O-N 3.25Å; M1839-L1841 PolarHBondContact O-N 3.35Å; M1839-L1842 PolarHBondContact O-N 3.3Å; M1839-S1843 PolarHBondContact O-N 3.17Å |
| 1840 | K | 40.5 | Very low | 45.1 | Very low | 132.6 Ų | 132.6 | 98.7 Ų | 98.7 | 58% | 0.577 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.1 | -34.6 | 178.8 | -141.5 | 178.3 | -176.9 | -175.9 | 0 | 112.5 | N1838 L1842 S1843 D1844 C1886 Q1887 | N1838-K1840 VanDerWaalsContact C-N 3.29Å; N1838-K1840 PolarHBondContact O-N 2.87Å; K1840-L1842 VanDerWaalsContact C-N 3.35Å; K1840-L1842 PolarHBondContact O-N 3.44Å; K1840-S1843 PolarHBondContact O-N 3.25Å; K1840-S1843 PolarHBondContact O-OG 3.41Å; K1840-S1843 VanDerWaalsContact O-OG 3.1Å; K1840-D1844 WeakPolarHBondContact O-CB 3.33Å; K1840-D1844 PolarHBondContact O-N 2.92Å; K1840-C1886 PolarHBondContact NZ-O 3.46Å; K1840-Q1887 PolarHBondContact NZ-O 2.88Å |
| 1841 | L | 40.2 | Very low | 46.5 | Very low | 110.6 Ų | 110.6 | 90.9 Ų | 90.9 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71 | -37.8 | 177.6 | -148.3 | 85 | 0 | 0 | 0 | 111.7 | K1837 N1838 M1839 D1844 T1845 | K1837-L1841 PolarHBondContact O-N 2.95Å; N1838-L1841 PolarHBondContact O-N 3.38Å; M1839-L1841 PolarHBondContact O-N 3.35Å; L1841-D1844 PolarHBondContact O-N 3.43Å; L1841-T1845 PolarHBondContact O-N 3.23Å; L1841-T1845 VanDerWaalsContact O-N 3.11Å; L1841-T1845 PolarHBondContact O-OG1 3.14Å; L1841-T1845 VanDerWaalsContact O-OG1 3.12Å |
| 1842 | L | 35.8 | Very low | 48.4 | Very low | 80.8 Ų | 80.8 | 83.6 Ų | 83.6 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 178.4 | -83.4 | 157.3 | 0 | 0 | 0 | 112.8 | N1838 M1839 K1840 D1844 T1845 A1846 | N1838-L1842 PolarHBondContact O-N 3.11Å; M1839-L1842 PolarHBondContact O-N 3.3Å; K1840-L1842 VanDerWaalsContact C-N 3.35Å; K1840-L1842 PolarHBondContact O-N 3.44Å; L1842-D1844 PolarHBondContact O-N 3.41Å; L1842-T1845 WeakPolarHBondContact CA-OG1 3.37Å; L1842-T1845 PolarHBondContact O-N 3.22Å; L1842-T1845 PolarHBondContact O-OG1 3.07Å; L1842-T1845 VanDerWaalsContact O-OG1 3.09Å; L1842-A1846 PolarHBondContact O-N 3.15Å |
| 1843 | S | 45.1 | Very low | 50.4 | Low | 51.4 Ų | 51.4 | 83.2 Ų | 83.2 | 36% | 0.359 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 179.3 | 61.1 | 0 | 0 | 0 | 0 | 112.7 | M1839 K1840 T1845 A1846 Q1847 | M1839-S1843 PolarHBondContact O-N 3.17Å; K1840-S1843 PolarHBondContact O-N 3.25Å; K1840-S1843 PolarHBondContact O-OG 3.41Å; K1840-S1843 VanDerWaalsContact O-OG 3.1Å; S1843-T1845 VanDerWaalsContact C-N 3.3Å; S1843-T1845 PolarHBondContact O-N 3.08Å; S1843-A1846 PolarHBondContact O-N 3.06Å; S1843-Q1847 WeakPolarHBondContact O-CG 3.29Å; S1843-Q1847 PolarHBondContact O-N 3.16Å |
| 1844 | D | 49 | Very low | 52.4 | Low | 46 Ų | 46 | 73.8 Ų | 73.8 | 25% | 0.246 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.8 | -31.4 | 179.8 | -158.6 | 34.8 | 0 | 0 | 0 | 111.4 | N1615 K1840 L1841 L1842 R1848 | N1615-D1844 WeakPolarHBondContact CB-OD2 3.47Å; N1615-D1844 PolarHBondContact ND2-OD1 3.04Å; N1615-D1844 PolarHBondContact ND2-OD2 3.17Å; N1615-D1844 VanDerWaalsContact ND2-OD2 3.08Å; K1840-D1844 WeakPolarHBondContact O-CB 3.33Å; K1840-D1844 PolarHBondContact O-N 2.92Å; L1841-D1844 PolarHBondContact O-N 3.43Å; L1842-D1844 PolarHBondContact O-N 3.41Å; D1844-R1848 VanDerWaalsContact CG-NH1 3.26Å; D1844-R1848 VanDerWaalsContact CG-NH2 3.31Å; D1844-R1848 VanDerWaalsContact O-CG 3.31Å; D1844-R1848 WeakPolarHBondContact O-CG 3.38Å; D1844-R1848 PolarHBondContact O-N 2.95Å; D1844-R1848 PolarHBondContact O-NH1 3.19Å; D1844-R1848 IonicContact OD1-CZ 3.23Å; D1844-R1848 IonicContact OD1-NH1 3.18Å; D1844-R1848 IonicContact OD1-NH2 3.36Å; D1844-R1848 PolarHBondContact OD1-NH2 3.34Å; D1844-R1848 IonicContact OD2-CZ 3.08Å; D1844-R1848 IonicContact OD2-NE 3.26Å; D1844-R1848 IonicContact OD2-NH1 3.46Å; D1844-R1848 PolarHBondContact OD2-NH1 3.12Å; D1844-R1848 IonicContact OD2-NH2 3.29Å; D1844-R1848 PolarHBondContact OD2-NH2 3.03Å |
| 1845 | T | 50.8 | Low | 54.3 | Low | 29 Ų | 29 | 69.1 Ų | 69.1 | 18% | 0.178 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 173.7 | -5.4 | 0 | 0 | 0 | 0 | 112.4 | R1821 L1841 L1842 S1843 Q1847 R1848 F1849 | R1821-T1845 PolarHBondContact NH2-OG1 3.1Å; L1841-T1845 PolarHBondContact O-N 3.23Å; L1841-T1845 VanDerWaalsContact O-N 3.11Å; L1841-T1845 PolarHBondContact O-OG1 3.14Å; L1841-T1845 VanDerWaalsContact O-OG1 3.12Å; L1842-T1845 WeakPolarHBondContact CA-OG1 3.37Å; L1842-T1845 PolarHBondContact O-N 3.22Å; L1842-T1845 PolarHBondContact O-OG1 3.07Å; L1842-T1845 VanDerWaalsContact O-OG1 3.09Å; S1843-T1845 VanDerWaalsContact C-N 3.3Å; S1843-T1845 PolarHBondContact O-N 3.08Å; T1845-Q1847 VanDerWaalsContact C-N 3.32Å; T1845-Q1847 PolarHBondContact O-N 3Å; T1845-R1848 WeakPolarHBondContact O-CB 3.04Å; T1845-R1848 PolarHBondContact O-N 3.23Å; T1845-R1848 VanDerWaalsContact O-N 3.12Å; T1845-F1849 HydrophobicContact CG2-CD2 4.11Å; T1845-F1849 HydrophobicContact CG2-CE2 3.73Å; T1845-F1849 VanDerWaalsContact CG2-CE2 3.5Å; T1845-F1849 HydrophobicContact CG2-CZ 3.97Å; T1845-F1849 VanDerWaalsContact O-CD2 3.24Å; T1845-F1849 WeakPolarHBondContact O-CD2 3.37Å; T1845-F1849 PolarHBondContact O-N 3.21Å; T1845-F1849 VanDerWaalsContact O-N 3.09Å |
| 1846 | A | 54.1 | Low | 56.5 | Low | 60.6 Ų | 60.6 | 64.9 Ų | 64.9 | 50% | 0.501 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1842 S1843 R1848 F1849 S1850 | L1842-A1846 PolarHBondContact O-N 3.15Å; S1843-A1846 PolarHBondContact O-N 3.06Å; A1846-R1848 VanDerWaalsContact C-N 3.31Å; A1846-R1848 PolarHBondContact O-N 3.07Å; A1846-F1849 PolarHBondContact O-N 3.1Å; A1846-S1850 PolarHBondContact O-N 3.1Å; A1846-S1850 VanDerWaalsContact O-N 3.13Å; A1846-S1850 PolarHBondContact O-OG 3.2Å |
| 1847 | Q | 58.5 | Low | 58.6 | Low | 28.6 Ų | 28.6 | 58.1 Ų | 58.1 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 174.8 | -86.8 | 178.8 | -4.1 | 0 | 0 | 112.3 | S1843 T1845 F1849 S1850 L1851 T1876 S1877 S1880 | S1843-Q1847 WeakPolarHBondContact O-CG 3.29Å; S1843-Q1847 PolarHBondContact O-N 3.16Å; T1845-Q1847 VanDerWaalsContact C-N 3.32Å; T1845-Q1847 PolarHBondContact O-N 3Å; Q1847-F1849 PolarHBondContact O-N 2.8Å; Q1847-S1850 WeakPolarHBondContact CA-OG 3.28Å; Q1847-S1850 PolarHBondContact O-N 3.04Å; Q1847-S1850 PolarHBondContact O-OG 3.13Å; Q1847-L1851 WeakPolarHBondContact O-CB 3.49Å; Q1847-L1851 PolarHBondContact O-N 3.12Å; Q1847-L1851 VanDerWaalsContact O-N 3.11Å; Q1847-T1876 HydrophobicContact CG-CG2 4.17Å; Q1847-T1876 PolarHBondContact NE2-O 3.12Å; Q1847-S1877 PolarHBondContact NE2-OG 3.26Å; Q1847-S1880 PolarHBondContact NE2-OG 3.12Å |
| 1848 | R | 61.8 | Low | 60.8 | Low | 38.4 Ų | 38.4 | 52.5 Ų | 52.5 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 177.5 | -85.4 | 177.3 | -154.4 | 131 | -0.9 | 112.4 | L1613 D1844 T1845 A1846 S1850 L1851 L1852 | L1613-R1848 HydrophobicContact CD2-CG 4.33Å; L1613-R1848 PolarHBondContact O-NH2 3.12Å; D1844-R1848 VanDerWaalsContact CG-NH1 3.26Å; D1844-R1848 VanDerWaalsContact CG-NH2 3.31Å; D1844-R1848 VanDerWaalsContact O-CG 3.31Å; D1844-R1848 WeakPolarHBondContact O-CG 3.38Å; D1844-R1848 PolarHBondContact O-N 2.95Å; D1844-R1848 PolarHBondContact O-NH1 3.19Å; D1844-R1848 IonicContact OD1-CZ 3.23Å; D1844-R1848 IonicContact OD1-NH1 3.18Å; D1844-R1848 IonicContact OD1-NH2 3.36Å; D1844-R1848 PolarHBondContact OD1-NH2 3.34Å; D1844-R1848 IonicContact OD2-CZ 3.08Å; D1844-R1848 IonicContact OD2-NE 3.26Å; D1844-R1848 IonicContact OD2-NH1 3.46Å; D1844-R1848 PolarHBondContact OD2-NH1 3.12Å; D1844-R1848 IonicContact OD2-NH2 3.29Å; D1844-R1848 PolarHBondContact OD2-NH2 3.03Å; T1845-R1848 WeakPolarHBondContact O-CB 3.04Å; T1845-R1848 PolarHBondContact O-N 3.23Å; T1845-R1848 VanDerWaalsContact O-N 3.12Å; A1846-R1848 VanDerWaalsContact C-N 3.31Å; A1846-R1848 PolarHBondContact O-N 3.07Å; R1848-S1850 VanDerWaalsContact C-N 3.31Å; R1848-S1850 PolarHBondContact O-N 3.09Å; R1848-L1851 PolarHBondContact O-N 3.09Å; R1848-L1852 HydrophobicContact CG-CD1 4.17Å; R1848-L1852 HydrophobicContact CG-CG 4.47Å; R1848-L1852 WeakPolarHBondContact O-CB 3.33Å; R1848-L1852 VanDerWaalsContact O-CG 3.31Å; R1848-L1852 WeakPolarHBondContact O-CG 3.34Å; R1848-L1852 PolarHBondContact O-N 3.27Å; R1848-L1852 VanDerWaalsContact O-N 3.08Å |
| 1849 | F | 66.8 | Low | 63.1 | Low | 69.2 Ų | 69.2 | 50 Ų | 50 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 178 | -75.9 | -66.7 | 0 | 0 | 0 | 112.2 | Q1814 F1817 T1818 T1845 A1846 Q1847 L1851 L1852 R1853 | Q1814-F1849 HydrophobicContact CB-CD1 4.28Å; Q1814-F1849 HydrophobicContact CB-CE1 3.87Å; Q1814-F1849 HydrophobicContact CG-CD1 3.98Å; Q1814-F1849 HydrophobicContact CG-CE1 3.76Å; F1817-F1849 HydrophobicContact CB-CE2 4.31Å; F1817-F1849 HydrophobicContact CB-CZ 3.69Å; F1817-F1849 HydrophobicContact CD2-CE1 4.06Å; F1817-F1849 HydrophobicContact CD2-CE2 4.19Å; F1817-F1849 AromaticContact CD2-CZ 3.38Å; F1817-F1849 HydrophobicContact CD2-CZ 3.38Å; F1817-F1849 HydrophobicContact CE2-CZ 4.1Å; F1817-F1849 HydrophobicContact CG-CE2 4.18Å; F1817-F1849 AromaticContact CG-CZ 3.64Å; F1817-F1849 HydrophobicContact CG-CZ 3.64Å; T1818-F1849 HydrophobicContact CG2-CZ 4.35Å; T1845-F1849 HydrophobicContact CG2-CD2 4.11Å; T1845-F1849 HydrophobicContact CG2-CE2 3.73Å; T1845-F1849 VanDerWaalsContact CG2-CE2 3.5Å; T1845-F1849 HydrophobicContact CG2-CZ 3.97Å; T1845-F1849 VanDerWaalsContact O-CD2 3.24Å; T1845-F1849 WeakPolarHBondContact O-CD2 3.37Å; T1845-F1849 PolarHBondContact O-N 3.21Å; T1845-F1849 VanDerWaalsContact O-N 3.09Å; A1846-F1849 PolarHBondContact O-N 3.1Å; Q1847-F1849 PolarHBondContact O-N 2.8Å; F1849-L1851 VanDerWaalsContact C-N 3.27Å; F1849-L1851 PolarHBondContact O-N 2.86Å; F1849-L1852 PolarHBondContact O-N 3.14Å; F1849-R1853 VanDerWaalsContact O-CB 3.25Å; F1849-R1853 WeakPolarHBondContact O-CB 3.35Å; F1849-R1853 PolarHBondContact O-N 3.12Å |
| 1850 | S | 70.1 | Confident | 65.3 | Low | 19.6 Ų | 19.6 | 46 Ų | 46 | 14% | 0.137 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -35.6 | 178.3 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | A1846 Q1847 R1848 R1853 A1854 S1873 | A1846-S1850 PolarHBondContact O-N 3.1Å; A1846-S1850 VanDerWaalsContact O-N 3.13Å; A1846-S1850 PolarHBondContact O-OG 3.2Å; Q1847-S1850 WeakPolarHBondContact CA-OG 3.28Å; Q1847-S1850 PolarHBondContact O-N 3.04Å; Q1847-S1850 PolarHBondContact O-OG 3.13Å; R1848-S1850 VanDerWaalsContact C-N 3.31Å; R1848-S1850 PolarHBondContact O-N 3.09Å; S1850-R1853 PolarHBondContact O-N 3.28Å; S1850-A1854 WeakPolarHBondContact O-CB 3.43Å; S1850-A1854 PolarHBondContact O-N 2.98Å; S1850-S1873 VanDerWaalsContact CB-OG 3.26Å; S1850-S1873 WeakPolarHBondContact CB-OG 3.38Å; S1850-S1873 PolarHBondContact OG-OG 3.33Å |
| 1851 | L | 73.1 | Confident | 67.2 | Low | 13.8 Ų | 13.8 | 40.5 Ų | 40.5 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.2 | -45.1 | 176.3 | -175.4 | 58.6 | 0 | 0 | 0 | 112.7 | L1612 Q1847 R1848 F1849 R1853 A1854 L1855 Y1870 S1873 M1901 | L1612-L1851 HydrophobicContact CB-CD2 4.11Å; L1612-L1851 HydrophobicContact CD1-CD2 3.48Å; L1612-L1851 HydrophobicContact CD1-CG 4.22Å; L1612-L1851 HydrophobicContact CD2-CD1 4.39Å; L1612-L1851 HydrophobicContact CD2-CD2 3.19Å; L1612-L1851 HydrophobicContact CD2-CG 3.53Å; L1612-L1851 VanDerWaalsContact CD2-CG 3.5Å; L1612-L1851 HydrophobicContact CG-CD2 3.89Å; Q1847-L1851 WeakPolarHBondContact O-CB 3.49Å; Q1847-L1851 PolarHBondContact O-N 3.12Å; Q1847-L1851 VanDerWaalsContact O-N 3.11Å; R1848-L1851 PolarHBondContact O-N 3.09Å; F1849-L1851 VanDerWaalsContact C-N 3.27Å; F1849-L1851 PolarHBondContact O-N 2.86Å; L1851-R1853 VanDerWaalsContact C-N 3.28Å; L1851-R1853 PolarHBondContact O-N 3.15Å; L1851-A1854 WeakPolarHBondContact O-CB 3.2Å; L1851-A1854 PolarHBondContact O-N 3.24Å; L1851-A1854 VanDerWaalsContact O-N 3.1Å; L1851-L1855 WeakPolarHBondContact O-CG 3.25Å; L1851-L1855 PolarHBondContact O-N 2.89Å; L1851-L1855 VanDerWaalsContact O-N 3.09Å; L1851-Y1870 HydrophobicContact CD1-CD1 3.88Å; L1851-Y1870 HydrophobicContact CD1-CE1 3.54Å; L1851-Y1870 VanDerWaalsContact CD1-CE1 3.46Å; L1851-S1873 PolarHBondContact N-OG 3.46Å; L1851-M1901 HydrophobicContact CD1-CE 4.39Å; L1851-M1901 HydrophobicContact CD1-CG 3.88Å; L1851-M1901 HydrophobicContact CD2-CE 4.27Å; L1851-M1901 HydrophobicContact CD2-CG 3.95Å; L1851-M1901 HydrophobicContact CD2-SD 4.39Å |
| 1852 | L | 74.8 | Confident | 69.4 | Low | 10.4 Ų | 10.4 | 38.9 Ų | 38.9 | 5% | 0.054 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -38.5 | 173.6 | -73 | 176.6 | 0 | 0 | 0 | 111.4 | L1613 L1794 L1810 Q1814 R1848 F1849 A1854 L1855 E1856 | L1613-L1852 HydrophobicContact CD2-CD1 4.39Å; L1613-L1852 HydrophobicContact CD2-CD2 4.26Å; L1794-L1852 HydrophobicContact CD1-CD2 4.1Å; L1810-L1852 HydrophobicContact CD2-CB 3.94Å; L1810-L1852 HydrophobicContact CD2-CD2 3.91Å; L1810-L1852 HydrophobicContact CD2-CG 4.37Å; Q1814-L1852 HydrophobicContact CG-CD1 4.5Å; R1848-L1852 HydrophobicContact CG-CD1 4.17Å; R1848-L1852 HydrophobicContact CG-CG 4.47Å; R1848-L1852 WeakPolarHBondContact O-CB 3.33Å; R1848-L1852 VanDerWaalsContact O-CG 3.31Å; R1848-L1852 WeakPolarHBondContact O-CG 3.34Å; R1848-L1852 PolarHBondContact O-N 3.27Å; R1848-L1852 VanDerWaalsContact O-N 3.08Å; F1849-L1852 PolarHBondContact O-N 3.14Å; L1852-A1854 VanDerWaalsContact C-N 3.34Å; L1852-L1855 HydrophobicContact CD2-CD1 4.46Å; L1852-L1855 PolarHBondContact O-N 3.24Å; L1852-E1856 PolarHBondContact O-N 3.2Å; L1852-E1856 VanDerWaalsContact O-N 3.11Å |
| 1853 | R | 78.6 | Confident | 71.9 | Confident | 104.8 Ų | 104.8 | 35.9 Ų | 35.9 | 40% | 0.395 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.4 | -37.1 | 173.5 | -174.7 | 59.8 | -179.5 | 177 | 9.9 | 112.3 | F1849 S1850 L1851 L1855 E1856 L1857 | F1849-R1853 VanDerWaalsContact O-CB 3.25Å; F1849-R1853 WeakPolarHBondContact O-CB 3.35Å; F1849-R1853 PolarHBondContact O-N 3.12Å; S1850-R1853 PolarHBondContact O-N 3.28Å; L1851-R1853 VanDerWaalsContact C-N 3.28Å; L1851-R1853 PolarHBondContact O-N 3.15Å; R1853-L1855 VanDerWaalsContact C-N 3.3Å; R1853-L1855 PolarHBondContact O-N 3.04Å; R1853-E1856 VanDerWaalsContact CD-OE2 3.25Å; R1853-E1856 WeakPolarHBondContact CD-OE2 3.42Å; R1853-E1856 IonicContact CZ-OE1 3.66Å; R1853-E1856 IonicContact CZ-OE2 3.31Å; R1853-E1856 IonicContact NE-OE2 3.41Å; R1853-E1856 IonicContact NH1-OE1 3.17Å; R1853-E1856 PolarHBondContact NH1-OE1 3.11Å; R1853-E1856 VanDerWaalsContact NH1-OE1 3.08Å; R1853-E1856 IonicContact NH1-OE2 3.36Å; R1853-E1856 PolarHBondContact NH1-OE2 3.26Å; R1853-E1856 WeakPolarHBondContact O-CB 3.4Å; R1853-E1856 PolarHBondContact O-N 3.23Å; R1853-L1857 HydrophobicContact CG-CD1 4Å; R1853-L1857 HydrophobicContact CG-CG 4.43Å; R1853-L1857 WeakPolarHBondContact O-CB 3.24Å; R1853-L1857 WeakPolarHBondContact O-CD1 3.4Å; R1853-L1857 VanDerWaalsContact O-CG 3.28Å; R1853-L1857 WeakPolarHBondContact O-CG 3.33Å; R1853-L1857 PolarHBondContact O-N 3.15Å; R1853-L1857 VanDerWaalsContact O-N 3.1Å |
| 1854 | A | 82.6 | Confident | 74 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1850 L1851 L1852 E1856 L1857 E1858 A1866 A1869 Y1870 | S1850-A1854 WeakPolarHBondContact O-CB 3.43Å; S1850-A1854 PolarHBondContact O-N 2.98Å; L1851-A1854 WeakPolarHBondContact O-CB 3.2Å; L1851-A1854 PolarHBondContact O-N 3.24Å; L1851-A1854 VanDerWaalsContact O-N 3.1Å; L1852-A1854 VanDerWaalsContact C-N 3.34Å; A1854-E1856 VanDerWaalsContact C-N 3.34Å; A1854-E1856 PolarHBondContact O-N 3.01Å; A1854-L1857 PolarHBondContact O-N 2.98Å; A1854-E1858 WeakPolarHBondContact O-CB 3.25Å; A1854-E1858 PolarHBondContact O-N 3.14Å; A1854-A1866 WeakPolarHBondContact O-CB 3.4Å; A1854-A1869 HydrophobicContact CB-CB 3.66Å; A1854-Y1870 HydrophobicContact CB-CD1 3.85Å; A1854-Y1870 HydrophobicContact CB-CD2 4Å; A1854-Y1870 HydrophobicContact CB-CE1 3.75Å; A1854-Y1870 HydrophobicContact CB-CE2 3.89Å; A1854-Y1870 HydrophobicContact CB-CG 3.97Å |
| 1855 | L | 79.1 | Confident | 75.9 | Confident | 13.8 Ų | 13.8 | 38.3 Ų | 38.3 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 176.6 | -70.1 | 167 | 0 | 0 | 0 | 113.2 | F1609 L1612 L1794 L1851 L1852 R1853 L1857 E1858 N1859 Y1870 | F1609-L1855 HydrophobicContact CD1-CD1 4.04Å; F1609-L1855 HydrophobicContact CD1-CD2 4.45Å; F1609-L1855 HydrophobicContact CE1-CD1 3.53Å; F1609-L1855 VanDerWaalsContact CE1-CD1 3.49Å; F1609-L1855 HydrophobicContact CE1-CD2 3.49Å; F1609-L1855 HydrophobicContact CE1-CG 4.13Å; F1609-L1855 HydrophobicContact CZ-CD1 4.28Å; F1609-L1855 HydrophobicContact CZ-CD2 3.77Å; F1609-L1855 HydrophobicContact CZ-CG 4.47Å; L1612-L1855 HydrophobicContact CD1-CD1 3.96Å; L1612-L1855 HydrophobicContact CD2-CD1 4.43Å; L1794-L1855 HydrophobicContact CD2-CD1 4.36Å; L1851-L1855 WeakPolarHBondContact O-CG 3.25Å; L1851-L1855 PolarHBondContact O-N 2.89Å; L1851-L1855 VanDerWaalsContact O-N 3.09Å; L1852-L1855 HydrophobicContact CD2-CD1 4.46Å; L1852-L1855 PolarHBondContact O-N 3.24Å; R1853-L1855 VanDerWaalsContact C-N 3.3Å; R1853-L1855 PolarHBondContact O-N 3.04Å; L1855-L1857 VanDerWaalsContact C-N 3.33Å; L1855-L1857 PolarHBondContact O-N 2.81Å; L1855-E1858 PolarHBondContact O-N 2.94Å; L1855-N1859 WeakPolarHBondContact O-CB 3.38Å; L1855-N1859 PolarHBondContact O-N 3.12Å; L1855-N1859 VanDerWaalsContact O-N 3.11Å; L1855-N1859 PolarHBondContact O-ND2 2.89Å; L1855-Y1870 VanDerWaalsContact CD2-OH 3.27Å; L1855-Y1870 WeakPolarHBondContact CD2-OH 3.32Å |
| 1856 | E | 79.5 | Confident | 77.7 | Confident | 23.6 Ų | 23.6 | 36.9 Ų | 36.9 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.7 | -51.8 | 172.8 | -163.6 | -178.4 | 168.2 | 0 | 0 | 111 | L1810 L1852 R1853 A1854 E1858 N1859 E1860 | L1810-E1856 HydrophobicContact CD1-CB 3.46Å; L1810-E1856 VanDerWaalsContact CD1-CB 3.45Å; L1810-E1856 VanDerWaalsContact CD1-CD 3.43Å; L1810-E1856 HydrophobicContact CD1-CG 3.58Å; L1810-E1856 VanDerWaalsContact CD1-OE2 3.32Å; L1810-E1856 WeakPolarHBondContact CD1-OE2 3.5Å; L1852-E1856 PolarHBondContact O-N 3.2Å; L1852-E1856 VanDerWaalsContact O-N 3.11Å; R1853-E1856 VanDerWaalsContact CD-OE2 3.25Å; R1853-E1856 WeakPolarHBondContact CD-OE2 3.42Å; R1853-E1856 IonicContact CZ-OE1 3.66Å; R1853-E1856 IonicContact CZ-OE2 3.31Å; R1853-E1856 IonicContact NE-OE2 3.41Å; R1853-E1856 IonicContact NH1-OE1 3.17Å; R1853-E1856 PolarHBondContact NH1-OE1 3.11Å; R1853-E1856 VanDerWaalsContact NH1-OE1 3.08Å; R1853-E1856 IonicContact NH1-OE2 3.36Å; R1853-E1856 PolarHBondContact NH1-OE2 3.26Å; R1853-E1856 WeakPolarHBondContact O-CB 3.4Å; R1853-E1856 PolarHBondContact O-N 3.23Å; A1854-E1856 VanDerWaalsContact C-N 3.34Å; A1854-E1856 PolarHBondContact O-N 3.01Å; E1856-E1858 VanDerWaalsContact C-N 3.3Å; E1856-E1858 PolarHBondContact O-N 3.12Å; E1856-N1859 PolarHBondContact O-N 3.34Å; E1856-N1859 VanDerWaalsContact O-N 3.14Å; E1856-E1860 HydrophobicContact CG-CG 4.45Å; E1856-E1860 WeakPolarHBondContact O-CB 3.37Å; E1856-E1860 WeakPolarHBondContact O-CG 3.33Å; E1856-E1860 PolarHBondContact O-N 3.08Å |
| 1857 | L | 85.3 | Confident | 79.4 | Confident | 9.2 Ų | 9.2 | 34.1 Ų | 34.1 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | -178.7 | -68.9 | 167.8 | 0 | 0 | 0 | 112 | R1853 A1854 L1855 E1860 G1861 Q1862 M1865 A1866 A1869 | R1853-L1857 HydrophobicContact CG-CD1 4Å; R1853-L1857 HydrophobicContact CG-CG 4.43Å; R1853-L1857 WeakPolarHBondContact O-CB 3.24Å; R1853-L1857 WeakPolarHBondContact O-CD1 3.4Å; R1853-L1857 VanDerWaalsContact O-CG 3.28Å; R1853-L1857 WeakPolarHBondContact O-CG 3.33Å; R1853-L1857 PolarHBondContact O-N 3.15Å; R1853-L1857 VanDerWaalsContact O-N 3.1Å; A1854-L1857 PolarHBondContact O-N 2.98Å; L1855-L1857 VanDerWaalsContact C-N 3.33Å; L1855-L1857 PolarHBondContact O-N 2.81Å; L1857-E1860 PolarHBondContact O-N 2.84Å; L1857-G1861 PolarHBondContact O-N 3.33Å; L1857-G1861 VanDerWaalsContact O-N 3.11Å; L1857-Q1862 HydrophobicContact CB-CB 4.43Å; L1857-Q1862 HydrophobicContact CD2-CB 4.21Å; L1857-Q1862 VanDerWaalsContact CD2-OE1 3.29Å; L1857-Q1862 CarbonylContact O-C 3.58Å; L1857-Q1862 WeakPolarHBondContact O-CA 3.32Å; L1857-Q1862 PolarHBondContact O-N 3.12Å; L1857-M1865 HydrophobicContact CD1-CB 3.88Å; L1857-M1865 HydrophobicContact CD2-CB 4.21Å; L1857-M1865 HydrophobicContact CD2-CE 4.45Å; L1857-M1865 HydrophobicContact CG-CB 4.44Å; L1857-A1866 HydrophobicContact CB-CB 3.8Å; L1857-A1869 HydrophobicContact CD1-CB 4.36Å |
| 1858 | E | 83.8 | Confident | 80.9 | Confident | 33.2 Ų | 33.2 | 35.4 Ų | 35.4 | 16% | 0.155 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 174.4 | -173.7 | 176.1 | 176.6 | 0 | 0 | 110.5 | A1854 L1855 E1856 G1861 L1863 A1866 Y1870 R1907 | A1854-E1858 WeakPolarHBondContact O-CB 3.25Å; A1854-E1858 PolarHBondContact O-N 3.14Å; L1855-E1858 PolarHBondContact O-N 2.94Å; E1856-E1858 VanDerWaalsContact C-N 3.3Å; E1856-E1858 PolarHBondContact O-N 3.12Å; E1858-G1861 WeakPolarHBondContact O-CA 3.17Å; E1858-G1861 PolarHBondContact O-N 3.19Å; E1858-G1861 VanDerWaalsContact O-N 3.1Å; E1858-L1863 HydrophobicContact CG-CD2 4.25Å; E1858-A1866 HydrophobicContact CB-CB 4.14Å; E1858-Y1870 PolarHBondContact OE2-OH 3.21Å; E1858-Y1870 VanDerWaalsContact OE2-OH 3.09Å; E1858-R1907 VanDerWaalsContact CD-NH2 3.32Å; E1858-R1907 IonicContact OE1-CZ 3.4Å; E1858-R1907 IonicContact OE1-NE 3.26Å; E1858-R1907 PolarHBondContact OE1-NE 3.37Å; E1858-R1907 VanDerWaalsContact OE1-NE 3.13Å; E1858-R1907 IonicContact OE1-NH1 3.29Å; E1858-R1907 PolarHBondContact OE1-NH1 3.39Å; E1858-R1907 IonicContact OE1-NH2 3.43Å; E1858-R1907 PolarHBondContact OE1-NH2 3.06Å; E1858-R1907 IonicContact OE2-CZ 3.32Å; E1858-R1907 IonicContact OE2-NH1 2.86Å; E1858-R1907 IonicContact OE2-NH2 3.51Å; E1858-R1907 PolarHBondContact OE2-NH2 3.11Å |
| 1859 | N | 80.9 | Confident | 82.1 | Confident | 22.8 Ų | 22.8 | 34.3 Ų | 34.3 | 12% | 0.122 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.4 | -30.3 | -179.6 | -122.2 | -0.5 | 0 | 0 | 0 | 113.8 | Y1797 A1798 H1801 D1802 S1803 L1806 L1855 E1856 G1861 | Y1797-N1859 PolarHBondContact O-ND2 3.09Å; A1798-N1859 PolarHBondContact O-OD1 3.08Å; H1801-N1859 VanDerWaalsContact CA-OD1 3.26Å; H1801-N1859 WeakPolarHBondContact CA-OD1 3.44Å; D1802-N1859 VanDerWaalsContact C-ND2 3.28Å; D1802-N1859 PolarHBondContact N-ND2 3.01Å; D1802-N1859 PolarHBondContact O-ND2 3.23Å; S1803-N1859 WeakPolarHBondContact CB-O 3.4Å; S1803-N1859 PolarHBondContact N-ND2 3.11Å; L1806-N1859 WeakPolarHBondContact CB-ND2 3.14Å; L1806-N1859 HydrophobicContact CD2-CB 3.44Å; L1806-N1859 VanDerWaalsContact CD2-CB 3.43Å; L1806-N1859 VanDerWaalsContact CD2-CG 3.46Å; L1806-N1859 VanDerWaalsContact CD2-ND2 3.28Å; L1806-N1859 WeakPolarHBondContact CD2-ND2 3.3Å; L1855-N1859 WeakPolarHBondContact O-CB 3.38Å; L1855-N1859 PolarHBondContact O-N 3.12Å; L1855-N1859 VanDerWaalsContact O-N 3.11Å; L1855-N1859 PolarHBondContact O-ND2 2.89Å; E1856-N1859 PolarHBondContact O-N 3.34Å; E1856-N1859 VanDerWaalsContact O-N 3.14Å; N1859-G1861 PolarHBondContact O-N 3.29Å |
| 1860 | E | 80.9 | Confident | 83.1 | Confident | 68.2 Ų | 68.2 | 31.1 Ų | 31.1 | 32% | 0.319 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.8 | 168.4 | -73.7 | -176.4 | 175.1 | 0 | 0 | 112.4 | E1856 L1857 Q1862 R2773 | E1856-E1860 HydrophobicContact CG-CG 4.45Å; E1856-E1860 WeakPolarHBondContact O-CB 3.37Å; E1856-E1860 WeakPolarHBondContact O-CG 3.33Å; E1856-E1860 PolarHBondContact O-N 3.08Å; L1857-E1860 PolarHBondContact O-N 2.84Å; E1860-Q1862 VanDerWaalsContact C-N 3.32Å; E1860-Q1862 HydrophobicContact CB-CG 4.4Å; E1860-Q1862 PolarHBondContact OE2-NE2 3.17Å; E1860-R2773 IonicContact OE1-CZ 2.7Å; E1860-R2773 IonicContact OE1-NH2 3.53Å; E1860-R2773 PolarHBondContact OE1-NH2 3.35Å |
| 1861 | G | 80.6 | Confident | 84 | Confident | 17.2 Ų | 17.2 | 34.2 Ų | 34.2 | 18% | 0.177 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 12.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1857 E1858 N1859 L1863 Q2151 | L1857-G1861 PolarHBondContact O-N 3.33Å; L1857-G1861 VanDerWaalsContact O-N 3.11Å; E1858-G1861 WeakPolarHBondContact O-CA 3.17Å; E1858-G1861 PolarHBondContact O-N 3.19Å; E1858-G1861 VanDerWaalsContact O-N 3.1Å; N1859-G1861 PolarHBondContact O-N 3.29Å; G1861-L1863 VanDerWaalsContact C-N 3.26Å; G1861-L1863 PolarHBondContact O-N 3.1Å; G1861-L1863 VanDerWaalsContact O-N 3.09Å; G1861-Q2151 VanDerWaalsContact C-NE2 3.27Å; G1861-Q2151 PolarHBondContact O-NE2 3.29Å |
| 1862 | Q | 86.4 | Confident | 84.6 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 36% | 0.36 | 20% | 0.198 | S | C | . | . | trans | -88.4 | 63 | 176.7 | -65.6 | -175.5 | 7.6 | 0 | 0 | 111.1 | L1857 E1860 D1864 M1865 A1866 | L1857-Q1862 HydrophobicContact CB-CB 4.43Å; L1857-Q1862 HydrophobicContact CD2-CB 4.21Å; L1857-Q1862 VanDerWaalsContact CD2-OE1 3.29Å; L1857-Q1862 CarbonylContact O-C 3.58Å; L1857-Q1862 WeakPolarHBondContact O-CA 3.32Å; L1857-Q1862 PolarHBondContact O-N 3.12Å; E1860-Q1862 VanDerWaalsContact C-N 3.32Å; E1860-Q1862 HydrophobicContact CB-CG 4.4Å; E1860-Q1862 PolarHBondContact OE2-NE2 3.17Å; Q1862-D1864 VanDerWaalsContact C-N 3.3Å; Q1862-D1864 PolarHBondContact O-N 3.31Å; Q1862-D1864 VanDerWaalsContact O-N 3.14Å; Q1862-M1865 HydrophobicContact CB-CB 4.41Å; Q1862-M1865 HydrophobicContact CB-CE 3.9Å; Q1862-M1865 VanDerWaalsContact CD-CE 3.42Å; Q1862-M1865 HydrophobicContact CG-CE 3.93Å; Q1862-M1865 PolarHBondContact O-N 3.12Å; Q1862-M1865 VanDerWaalsContact O-N 3.1Å; Q1862-M1865 PolarHBondContact OE1-SD 3.44Å; Q1862-A1866 PolarHBondContact O-N 3.25Å | ||
| 1863 | L | 88.6 | Confident | 85 | Confident | 16.4 Ų | 16.4 | 38.4 Ų | 38.4 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -33 | -169.4 | -59.1 | -177.2 | 0 | 0 | 0 | 113.8 | E1858 G1861 M1865 A1866 A1867 C1908 P1911 F2087 Q2151 | E1858-L1863 HydrophobicContact CG-CD2 4.25Å; G1861-L1863 VanDerWaalsContact C-N 3.26Å; G1861-L1863 PolarHBondContact O-N 3.1Å; G1861-L1863 VanDerWaalsContact O-N 3.09Å; L1863-M1865 PolarHBondContact O-N 2.95Å; L1863-A1866 PolarHBondContact O-N 3.1Å; L1863-A1867 VanDerWaalsContact O-CB 3.31Å; L1863-A1867 WeakPolarHBondContact O-CB 3.41Å; L1863-A1867 PolarHBondContact O-N 3.09Å; L1863-C1908 HydrophobicContact CB-CB 4.2Å; L1863-C1908 HydrophobicContact CD2-CB 4.24Å; L1863-P1911 HydrophobicContact CD1-CB 4.39Å; L1863-P1911 HydrophobicContact CD1-CG 3.74Å; L1863-F2087 HydrophobicContact CD1-CE1 4.1Å; L1863-Q2151 VanDerWaalsContact CB-NE2 3.35Å; L1863-Q2151 HydrophobicContact CD1-CG 4.49Å; L1863-Q2151 VanDerWaalsContact CD1-NE2 3.31Å; L1863-Q2151 HydrophobicContact CG-CG 4.42Å; L1863-Q2151 VanDerWaalsContact CG-NE2 3.29Å |
| 1864 | D | 87.8 | Confident | 85.2 | Confident | 44.2 Ų | 44.2 | 33.9 Ų | 33.9 | 24% | 0.236 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 177.7 | -71.3 | -40.3 | 0 | 0 | 0 | 112 | Q1862 A1868 R1915 M2153 | Q1862-D1864 VanDerWaalsContact C-N 3.3Å; Q1862-D1864 PolarHBondContact O-N 3.31Å; Q1862-D1864 VanDerWaalsContact O-N 3.14Å; D1864-A1868 PolarHBondContact O-N 3.17Å; D1864-A1868 VanDerWaalsContact O-N 3.11Å; D1864-R1915 IonicContact OD1-CZ 3.08Å; D1864-R1915 IonicContact OD1-NE 3.27Å; D1864-R1915 IonicContact OD1-NH1 2.82Å; D1864-R1915 IonicContact OD1-NH2 3.33Å; D1864-R1915 PolarHBondContact OD1-NH2 2.92Å; D1864-M2153 WeakPolarHBondContact OD2-CG 3.3Å |
| 1865 | M | 88.8 | Confident | 85.3 | Confident | 104.8 Ų | 104.8 | 36.5 Ų | 36.5 | 52% | 0.516 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -73.9 | -35.6 | 177.7 | -67.6 | -158.4 | -86.5 | 0 | 0 | 111.2 | L1857 Q1862 L1863 A1868 A1869 | L1857-M1865 HydrophobicContact CD1-CB 3.88Å; L1857-M1865 HydrophobicContact CD2-CB 4.21Å; L1857-M1865 HydrophobicContact CD2-CE 4.45Å; L1857-M1865 HydrophobicContact CG-CB 4.44Å; Q1862-M1865 HydrophobicContact CB-CB 4.41Å; Q1862-M1865 HydrophobicContact CB-CE 3.9Å; Q1862-M1865 VanDerWaalsContact CD-CE 3.42Å; Q1862-M1865 HydrophobicContact CG-CE 3.93Å; Q1862-M1865 PolarHBondContact O-N 3.12Å; Q1862-M1865 VanDerWaalsContact O-N 3.1Å; Q1862-M1865 PolarHBondContact OE1-SD 3.44Å; L1863-M1865 PolarHBondContact O-N 2.95Å; M1865-A1868 PolarHBondContact O-N 3.22Å; M1865-A1869 WeakPolarHBondContact O-CB 3.41Å; M1865-A1869 PolarHBondContact O-N 3.22Å |
| 1866 | A | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1854 L1857 E1858 Q1862 L1863 A1868 A1869 Y1870 | A1854-A1866 WeakPolarHBondContact O-CB 3.4Å; L1857-A1866 HydrophobicContact CB-CB 3.8Å; E1858-A1866 HydrophobicContact CB-CB 4.14Å; Q1862-A1866 PolarHBondContact O-N 3.25Å; L1863-A1866 PolarHBondContact O-N 3.1Å; A1866-A1868 PolarHBondContact O-N 3.19Å; A1866-A1869 WeakPolarHBondContact O-CB 3.39Å; A1866-A1869 PolarHBondContact O-N 3.17Å; A1866-A1869 VanDerWaalsContact O-N 3.13Å; A1866-Y1870 HydrophobicContact CB-CE2 4.47Å; A1866-Y1870 WeakPolarHBondContact O-CD2 3.29Å; A1866-Y1870 PolarHBondContact O-N 3.2Å |
| 1867 | A | 90 | Very high | 85 | Confident | 1.6 Ų | 1.6 | 36.8 Ų | 36.8 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1863 A1869 Y1870 E1871 L1905 C1908 | L1863-A1867 VanDerWaalsContact O-CB 3.31Å; L1863-A1867 WeakPolarHBondContact O-CB 3.41Å; L1863-A1867 PolarHBondContact O-N 3.09Å; A1867-A1869 VanDerWaalsContact C-N 3.3Å; A1867-A1869 PolarHBondContact O-N 3.22Å; A1867-Y1870 PolarHBondContact O-N 3.07Å; A1867-E1871 WeakPolarHBondContact O-CG 3.34Å; A1867-E1871 PolarHBondContact O-N 3.1Å; A1867-L1905 HydrophobicContact CB-CD1 3.76Å; A1867-C1908 HydrophobicContact CB-CB 3.98Å |
| 1868 | A | 90.3 | Very high | 84.4 | Confident | 54.6 Ų | 54.6 | 40.5 Ų | 40.5 | 45% | 0.451 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.5 | -38 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1864 M1865 A1866 E1871 H1872 | D1864-A1868 PolarHBondContact O-N 3.17Å; D1864-A1868 VanDerWaalsContact O-N 3.11Å; M1865-A1868 PolarHBondContact O-N 3.22Å; A1866-A1868 PolarHBondContact O-N 3.19Å; A1868-E1871 PolarHBondContact O-N 2.81Å; A1868-H1872 VanDerWaalsContact O-CB 3.28Å; A1868-H1872 WeakPolarHBondContact O-CB 3.4Å; A1868-H1872 PolarHBondContact O-N 3.16Å |
| 1869 | A | 87.1 | Confident | 83.7 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 13% | 0.132 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.4 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1854 L1857 M1865 A1866 A1867 H1872 S1873 | A1854-A1869 HydrophobicContact CB-CB 3.66Å; L1857-A1869 HydrophobicContact CD1-CB 4.36Å; M1865-A1869 WeakPolarHBondContact O-CB 3.41Å; M1865-A1869 PolarHBondContact O-N 3.22Å; A1866-A1869 WeakPolarHBondContact O-CB 3.39Å; A1866-A1869 PolarHBondContact O-N 3.17Å; A1866-A1869 VanDerWaalsContact O-N 3.13Å; A1867-A1869 VanDerWaalsContact C-N 3.3Å; A1867-A1869 PolarHBondContact O-N 3.22Å; A1869-H1872 PolarHBondContact O-N 2.82Å; A1869-S1873 VanDerWaalsContact O-CB 3.31Å; A1869-S1873 WeakPolarHBondContact O-CB 3.34Å; A1869-S1873 PolarHBondContact O-N 3.24Å; A1869-S1873 PolarHBondContact O-OG 3.1Å |
| 1870 | Y | 88.2 | Confident | 82.8 | Confident | 2.4 Ų | 2.4 | 42.6 Ų | 42.6 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -46.9 | 172.7 | -75.7 | -61 | 0 | 0 | 0 | 111.8 | L1851 A1854 L1855 E1858 A1866 A1867 H1872 S1873 L1874 M1901 G1904 L1905 | L1851-Y1870 HydrophobicContact CD1-CD1 3.88Å; L1851-Y1870 HydrophobicContact CD1-CE1 3.54Å; L1851-Y1870 VanDerWaalsContact CD1-CE1 3.46Å; A1854-Y1870 HydrophobicContact CB-CD1 3.85Å; A1854-Y1870 HydrophobicContact CB-CD2 4Å; A1854-Y1870 HydrophobicContact CB-CE1 3.75Å; A1854-Y1870 HydrophobicContact CB-CE2 3.89Å; A1854-Y1870 HydrophobicContact CB-CG 3.97Å; L1855-Y1870 VanDerWaalsContact CD2-OH 3.27Å; L1855-Y1870 WeakPolarHBondContact CD2-OH 3.32Å; E1858-Y1870 PolarHBondContact OE2-OH 3.21Å; E1858-Y1870 VanDerWaalsContact OE2-OH 3.09Å; A1866-Y1870 HydrophobicContact CB-CE2 4.47Å; A1866-Y1870 WeakPolarHBondContact O-CD2 3.29Å; A1866-Y1870 PolarHBondContact O-N 3.2Å; A1867-Y1870 PolarHBondContact O-N 3.07Å; Y1870-H1872 PolarHBondContact O-N 3.24Å; Y1870-S1873 PolarHBondContact O-N 3.16Å; Y1870-L1874 WeakPolarHBondContact O-CB 3.36Å; Y1870-L1874 WeakPolarHBondContact O-CG 3.39Å; Y1870-L1874 PolarHBondContact O-N 2.97Å; Y1870-M1901 HydrophobicContact CD1-CB 4.37Å; Y1870-M1901 HydrophobicContact CD1-CG 4.23Å; Y1870-G1904 VanDerWaalsContact CE2-C 3.46Å; Y1870-L1905 HydrophobicContact CG-CB 4.45Å |
| 1871 | E | 87.8 | Confident | 81.7 | Confident | 83.2 Ų | 83.2 | 43.6 Ų | 43.6 | 39% | 0.389 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 177 | -73.3 | -169 | 153 | 0 | 0 | 112 | A1867 A1868 S1873 L1874 A1875 L1905 R1922 | A1867-E1871 WeakPolarHBondContact O-CG 3.34Å; A1867-E1871 PolarHBondContact O-N 3.1Å; A1868-E1871 PolarHBondContact O-N 2.81Å; E1871-S1873 VanDerWaalsContact C-N 3.33Å; E1871-S1873 PolarHBondContact O-N 3.24Å; E1871-L1874 PolarHBondContact O-N 3.22Å; E1871-A1875 WeakPolarHBondContact O-CB 3.34Å; E1871-A1875 PolarHBondContact O-N 3.23Å; E1871-L1905 HydrophobicContact CG-CD1 3.81Å; E1871-L1905 HydrophobicContact CG-CD2 3.89Å; E1871-R1922 IonicContact OE1-CZ 3.43Å; E1871-R1922 IonicContact OE1-NH1 3.27Å; E1871-R1922 PolarHBondContact OE1-NH1 3.06Å; E1871-R1922 IonicContact OE1-NH2 3.3Å; E1871-R1922 PolarHBondContact OE1-NH2 3.43Å |
| 1872 | H | 86.1 | Confident | 80.5 | Confident | 112 Ų | 112 | 53.6 Ų | 53.6 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 174.9 | 176.5 | -88.1 | 0 | 0 | 0 | 111.6 | A1868 A1869 Y1870 L1874 A1875 T1876 | A1868-H1872 VanDerWaalsContact O-CB 3.28Å; A1868-H1872 WeakPolarHBondContact O-CB 3.4Å; A1868-H1872 PolarHBondContact O-N 3.16Å; A1869-H1872 PolarHBondContact O-N 2.82Å; Y1870-H1872 PolarHBondContact O-N 3.24Å; H1872-L1874 VanDerWaalsContact C-N 3.33Å; H1872-L1874 PolarHBondContact O-N 3.4Å; H1872-A1875 PolarHBondContact O-N 3.01Å; H1872-T1876 PolarHBondContact CE1-OG1 3.47Å; H1872-T1876 WeakPolarHBondContact O-CB 3.33Å; H1872-T1876 VanDerWaalsContact O-CG2 3.31Å; H1872-T1876 WeakPolarHBondContact O-CG2 3.43Å; H1872-T1876 PolarHBondContact O-N 3.17Å; H1872-T1876 PolarHBondContact O-OG1 3.33Å |
| 1873 | S | 82.9 | Confident | 78.8 | Confident | 0.8 Ų | 0.8 | 54.8 Ų | 54.8 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | S1850 L1851 A1869 Y1870 E1871 T1876 S1877 M1901 | S1850-S1873 VanDerWaalsContact CB-OG 3.26Å; S1850-S1873 WeakPolarHBondContact CB-OG 3.38Å; S1850-S1873 PolarHBondContact OG-OG 3.33Å; L1851-S1873 PolarHBondContact N-OG 3.46Å; A1869-S1873 VanDerWaalsContact O-CB 3.31Å; A1869-S1873 WeakPolarHBondContact O-CB 3.34Å; A1869-S1873 PolarHBondContact O-N 3.24Å; A1869-S1873 PolarHBondContact O-OG 3.1Å; Y1870-S1873 PolarHBondContact O-N 3.16Å; E1871-S1873 VanDerWaalsContact C-N 3.33Å; E1871-S1873 PolarHBondContact O-N 3.24Å; S1873-T1876 WeakPolarHBondContact CA-OG1 3.36Å; S1873-T1876 PolarHBondContact O-N 3.39Å; S1873-T1876 PolarHBondContact O-OG1 3.27Å; S1873-T1876 VanDerWaalsContact O-OG1 3.14Å; S1873-S1877 VanDerWaalsContact O-CB 3.29Å; S1873-S1877 WeakPolarHBondContact O-CB 3.34Å; S1873-S1877 PolarHBondContact O-N 3.1Å; S1873-M1901 VanDerWaalsContact O-CE 3.31Å; S1873-M1901 WeakPolarHBondContact O-CE 3.26Å |
| 1874 | L | 83.8 | Confident | 77 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.3 | -49.8 | 176 | -77.1 | 165.8 | 0 | 0 | 0 | 110.8 | Y1870 E1871 H1872 T1876 S1877 E1878 H1898 M1901 Y1902 L1905 | Y1870-L1874 WeakPolarHBondContact O-CB 3.36Å; Y1870-L1874 WeakPolarHBondContact O-CG 3.39Å; Y1870-L1874 PolarHBondContact O-N 2.97Å; E1871-L1874 PolarHBondContact O-N 3.22Å; H1872-L1874 VanDerWaalsContact C-N 3.33Å; H1872-L1874 PolarHBondContact O-N 3.4Å; L1874-T1876 VanDerWaalsContact C-N 3.34Å; L1874-T1876 PolarHBondContact O-N 3Å; L1874-S1877 WeakPolarHBondContact O-CB 3.34Å; L1874-S1877 PolarHBondContact O-N 3.28Å; L1874-S1877 VanDerWaalsContact O-N 3.15Å; L1874-E1878 WeakPolarHBondContact O-CG 3.34Å; L1874-E1878 PolarHBondContact O-N 3.08Å; L1874-H1898 HydrophobicContact CD2-CB 4.43Å; L1874-M1901 VanDerWaalsContact CA-CE 3.42Å; L1874-M1901 HydrophobicContact CB-CE 4.31Å; L1874-M1901 HydrophobicContact CD1-CB 4.34Å; L1874-M1901 HydrophobicContact CD2-CB 3.65Å; L1874-M1901 HydrophobicContact CD2-CE 3.99Å; L1874-M1901 HydrophobicContact CD2-CG 4.45Å; L1874-M1901 HydrophobicContact CD2-SD 4.11Å; L1874-M1901 HydrophobicContact CG-CB 3.83Å; L1874-M1901 HydrophobicContact CG-CE 3.87Å; L1874-M1901 HydrophobicContact CG-SD 4.38Å; L1874-M1901 VanDerWaalsContact N-CE 3.26Å; L1874-Y1902 HydrophobicContact CD1-CD1 3.8Å; L1874-Y1902 HydrophobicContact CD1-CE1 3.69Å; L1874-Y1902 HydrophobicContact CD1-CG 4.35Å; L1874-Y1902 HydrophobicContact CD2-CD1 4.46Å; L1874-Y1902 HydrophobicContact CD2-CD2 4.12Å; L1874-Y1902 HydrophobicContact CD2-CE1 4.28Å; L1874-Y1902 HydrophobicContact CD2-CE2 3.86Å; L1874-Y1902 HydrophobicContact CD2-CG 4.42Å; L1874-L1905 HydrophobicContact CD1-CD2 4.04Å |
| 1875 | A | 83.6 | Confident | 74.8 | Confident | 56.4 Ų | 56.4 | 63.3 Ų | 63.3 | 47% | 0.466 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1871 H1872 E1878 S1879 | E1871-A1875 WeakPolarHBondContact O-CB 3.34Å; E1871-A1875 PolarHBondContact O-N 3.23Å; H1872-A1875 PolarHBondContact O-N 3.01Å; A1875-E1878 PolarHBondContact O-N 3.33Å; A1875-S1879 WeakPolarHBondContact O-CB 3.35Å; A1875-S1879 PolarHBondContact O-N 3.02Å; A1875-S1879 VanDerWaalsContact O-N 3.09Å; A1875-S1879 PolarHBondContact O-OG 3.14Å |
| 1876 | T | 78.3 | Confident | 72.3 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 176 | 34.2 | 0 | 0 | 0 | 0 | 112 | Q1847 H1872 S1873 L1874 S1879 S1880 | Q1847-T1876 HydrophobicContact CG-CG2 4.17Å; Q1847-T1876 PolarHBondContact NE2-O 3.12Å; H1872-T1876 PolarHBondContact CE1-OG1 3.47Å; H1872-T1876 WeakPolarHBondContact O-CB 3.33Å; H1872-T1876 VanDerWaalsContact O-CG2 3.31Å; H1872-T1876 WeakPolarHBondContact O-CG2 3.43Å; H1872-T1876 PolarHBondContact O-N 3.17Å; H1872-T1876 PolarHBondContact O-OG1 3.33Å; S1873-T1876 WeakPolarHBondContact CA-OG1 3.36Å; S1873-T1876 PolarHBondContact O-N 3.39Å; S1873-T1876 PolarHBondContact O-OG1 3.27Å; S1873-T1876 VanDerWaalsContact O-OG1 3.14Å; L1874-T1876 VanDerWaalsContact C-N 3.34Å; L1874-T1876 PolarHBondContact O-N 3Å; T1876-S1879 WeakPolarHBondContact CA-OG 3.37Å; T1876-S1879 PolarHBondContact O-N 3.14Å; T1876-S1879 PolarHBondContact O-OG 3.31Å; T1876-S1879 VanDerWaalsContact O-OG 3.06Å; T1876-S1880 WeakPolarHBondContact O-CB 3.36Å; T1876-S1880 PolarHBondContact O-N 3.33Å; T1876-S1880 VanDerWaalsContact O-N 3.09Å; T1876-S1880 PolarHBondContact O-OG 3.14Å |
| 1877 | S | 74.3 | Confident | 70.1 | Confident | 4.8 Ų | 4.8 | 70.5 Ų | 70.5 | 3% | 0.034 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 174.6 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | Q1847 S1873 L1874 S1880 H1881 H1898 | Q1847-S1877 PolarHBondContact NE2-OG 3.26Å; S1873-S1877 VanDerWaalsContact O-CB 3.29Å; S1873-S1877 WeakPolarHBondContact O-CB 3.34Å; S1873-S1877 PolarHBondContact O-N 3.1Å; L1874-S1877 WeakPolarHBondContact O-CB 3.34Å; L1874-S1877 PolarHBondContact O-N 3.28Å; L1874-S1877 VanDerWaalsContact O-N 3.15Å; S1877-S1880 WeakPolarHBondContact O-CB 3.46Å; S1877-S1880 PolarHBondContact O-N 3.08Å; S1877-H1881 PolarHBondContact O-N 3.11Å; S1877-H1898 WeakPolarHBondContact CB-NE2 3.42Å; S1877-H1898 PolarHBondContact OG-NE2 3.13Å |
| 1878 | E | 73.4 | Confident | 68 | Low | 88.8 Ų | 88.8 | 78.9 Ų | 78.9 | 42% | 0.415 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.9 | -71.6 | -171.3 | 167.2 | 0 | 0 | 112.9 | L1874 A1875 S1880 H1881 R1882 Y1902 | L1874-E1878 WeakPolarHBondContact O-CG 3.34Å; L1874-E1878 PolarHBondContact O-N 3.08Å; A1875-E1878 PolarHBondContact O-N 3.33Å; E1878-S1880 VanDerWaalsContact C-N 3.33Å; E1878-S1880 PolarHBondContact O-N 3.34Å; E1878-H1881 VanDerWaalsContact O-CB 3.26Å; E1878-H1881 WeakPolarHBondContact O-CB 3.37Å; E1878-H1881 PolarHBondContact O-N 3.21Å; E1878-H1881 VanDerWaalsContact O-N 3.12Å; E1878-R1882 PolarHBondContact O-N 3.22Å; E1878-Y1902 PolarHBondContact OE1-OH 2.9Å |
| 1879 | S | 69.2 | Low | 65.8 | Low | 66.4 Ų | 66.4 | 81.1 Ų | 81.1 | 46% | 0.464 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 178.5 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | A1875 T1876 H1881 R1882 S1883 | A1875-S1879 WeakPolarHBondContact O-CB 3.35Å; A1875-S1879 PolarHBondContact O-N 3.02Å; A1875-S1879 VanDerWaalsContact O-N 3.09Å; A1875-S1879 PolarHBondContact O-OG 3.14Å; T1876-S1879 WeakPolarHBondContact CA-OG 3.37Å; T1876-S1879 PolarHBondContact O-N 3.14Å; T1876-S1879 PolarHBondContact O-OG 3.31Å; T1876-S1879 VanDerWaalsContact O-OG 3.06Å; S1879-H1881 VanDerWaalsContact C-N 3.29Å; S1879-H1881 PolarHBondContact O-N 3.31Å; S1879-R1882 PolarHBondContact O-N 3.06Å; S1879-R1882 VanDerWaalsContact O-N 3.12Å; S1879-S1883 PolarHBondContact O-N 3.47Å; S1879-S1883 PolarHBondContact O-OG 3.2Å |
| 1880 | S | 62.3 | Low | 64 | Low | 33.2 Ų | 33.2 | 82.6 Ų | 82.6 | 23% | 0.232 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.5 | -27.6 | 173.7 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | Q1847 T1876 S1877 E1878 S1883 S1884 | Q1847-S1880 PolarHBondContact NE2-OG 3.12Å; T1876-S1880 WeakPolarHBondContact O-CB 3.36Å; T1876-S1880 PolarHBondContact O-N 3.33Å; T1876-S1880 VanDerWaalsContact O-N 3.09Å; T1876-S1880 PolarHBondContact O-OG 3.14Å; S1877-S1880 WeakPolarHBondContact O-CB 3.46Å; S1877-S1880 PolarHBondContact O-N 3.08Å; E1878-S1880 VanDerWaalsContact C-N 3.33Å; E1878-S1880 PolarHBondContact O-N 3.34Å; S1880-S1883 PolarHBondContact O-N 3.24Å; S1880-S1883 PolarHBondContact O-OG 3.21Å; S1880-S1883 VanDerWaalsContact O-OG 3.07Å; S1880-S1884 PolarHBondContact O-N 2.93Å; S1880-S1884 PolarHBondContact O-OG 3.11Å |
| 1881 | H | 56.8 | Low | 62.6 | Low | 88.8 Ų | 88.8 | 87.3 Ų | 87.3 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -74.8 | -35.7 | 176.3 | -140.9 | -44.1 | 0 | 0 | 0 | 113.1 | S1877 E1878 S1879 S1883 S1884 R1894 | S1877-H1881 PolarHBondContact O-N 3.11Å; E1878-H1881 VanDerWaalsContact O-CB 3.26Å; E1878-H1881 WeakPolarHBondContact O-CB 3.37Å; E1878-H1881 PolarHBondContact O-N 3.21Å; E1878-H1881 VanDerWaalsContact O-N 3.12Å; S1879-H1881 VanDerWaalsContact C-N 3.29Å; S1879-H1881 PolarHBondContact O-N 3.31Å; H1881-S1883 PolarHBondContact O-N 3.12Å; H1881-S1883 VanDerWaalsContact O-N 3.1Å; H1881-S1884 PolarHBondContact O-N 2.91Å; H1881-S1884 VanDerWaalsContact O-N 3.13Å; H1881-R1894 PolarHBondContact CD2-NH1 3.36Å; H1881-R1894 PolarHBondContact CE1-NH1 3.45Å; H1881-R1894 PolarHBondContact ND1-NH1 2.89Å; H1881-R1894 WeakPolarHBondContact NE2-CD 3.35Å; H1881-R1894 PolarHBondContact NE2-NH1 2.86Å |
| 1882 | R | 55.5 | Low | 60.9 | Low | 227.8 Ų | 227.8 | 88.2 Ų | 88.2 | 86% | 0.86 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.9 | -24.7 | 177.2 | -67.9 | -172.5 | -176.5 | -170.7 | 2.4 | 112.3 | E1878 S1879 | E1878-R1882 PolarHBondContact O-N 3.22Å; S1879-R1882 PolarHBondContact O-N 3.06Å; S1879-R1882 VanDerWaalsContact O-N 3.12Å |
| 1883 | S | 52 | Low | 59.5 | Low | 100.8 Ų | 100.8 | 85.6 Ų | 85.6 | 71% | 0.705 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -94.2 | -15.4 | -178.5 | 61 | 0 | 0 | 0 | 0 | 115.1 | S1879 S1880 H1881 | S1879-S1883 PolarHBondContact O-N 3.47Å; S1879-S1883 PolarHBondContact O-OG 3.2Å; S1880-S1883 PolarHBondContact O-N 3.24Å; S1880-S1883 PolarHBondContact O-OG 3.21Å; S1880-S1883 VanDerWaalsContact O-OG 3.07Å; H1881-S1883 PolarHBondContact O-N 3.12Å; H1881-S1883 VanDerWaalsContact O-N 3.1Å |
| 1884 | S | 49.6 | Very low | 58.4 | Low | 39 Ų | 39 | 88 Ų | 88 | 27% | 0.273 | 46% | 0.462 | S | S | . | . | trans | -120.5 | 91.7 | -175.4 | 65.6 | 0 | 0 | 0 | 0 | 113.3 | S1880 H1881 C1886 | S1880-S1884 PolarHBondContact O-N 2.93Å; S1880-S1884 PolarHBondContact O-OG 3.11Å; H1881-S1884 PolarHBondContact O-N 2.91Å; H1881-S1884 VanDerWaalsContact O-N 3.13Å; S1884-C1886 VanDerWaalsContact C-N 3.28Å; S1884-C1886 PolarHBondContact O-N 3.06Å; S1884-C1886 VanDerWaalsContact O-N 3.1Å | ||
| 1885 | Q | 42.7 | Very low | 57.6 | Low | 201 Ų | 201 | 89.6 Ų | 89.6 | 94% | 0.939 | 47% | 0.471 | S | S | * | . | trans | -79.8 | 49.7 | 168.5 | -79.2 | -176.2 | -11.2 | 0 | 0 | 112.3 | ||||
| 1886 | C | 36.2 | Very low | 56.7 | Low | 94.6 Ų | 94.6 | 88.8 Ų | 88.8 | 64% | 0.639 | 46% | 0.459 | S | S | * | . | trans | -138.6 | 123.8 | 179.8 | -110.7 | 0 | 0 | 0 | 0 | 113.7 | K1840 S1884 S1890 | K1840-C1886 PolarHBondContact NZ-O 3.46Å; S1884-C1886 VanDerWaalsContact C-N 3.28Å; S1884-C1886 PolarHBondContact O-N 3.06Å; S1884-C1886 VanDerWaalsContact O-N 3.1Å; C1886-S1890 PolarHBondContact O-OG 3.42Å | ||
| 1887 | Q | 42.9 | Very low | 56.2 | Low | 161.8 Ų | 161.8 | 88.3 Ų | 88.3 | 76% | 0.756 | 45% | 0.453 | S | S | * | . | trans | 66.5 | 120.6 | 160.8 | -62.6 | -178.6 | -10 | 0 | 0 | 118.9 | K1840 S1890 | K1840-Q1887 PolarHBondContact NZ-O 2.88Å; Q1887-S1890 PolarHBondContact O-N 3Å; Q1887-S1890 PolarHBondContact O-OG 3.19Å; Q1887-S1890 VanDerWaalsContact O-OG 3.09Å | ||
| 1888 | Q | 44.7 | Very low | 56.3 | Low | 176.6 Ų | 176.6 | 89.1 Ų | 89.1 | 83% | 0.825 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -72.9 | -18.8 | -168.9 | -65.1 | -156.6 | -13 | 0 | 0 | 117.4 | S1890 K1891 | Q1888-S1890 PolarHBondContact O-N 3.24Å; Q1888-S1890 VanDerWaalsContact O-N 3.11Å; Q1888-K1891 WeakPolarHBondContact O-CB 3.17Å; Q1888-K1891 PolarHBondContact O-N 2.96Å; Q1888-K1891 VanDerWaalsContact O-N 3.11Å |
| 1889 | P | 43.5 | Very low | 56.4 | Low | 102.4 Ų | 102.4 | 85.5 Ų | 85.5 | 67% | 0.665 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -69.7 | -0.8 | 175.6 | 26.9 | -31.3 | 0 | 0 | 0 | 112.5 | K1891 | P1889-K1891 VanDerWaalsContact C-N 3.29Å; P1889-K1891 PolarHBondContact O-N 3.18Å |
| 1890 | S | 50.6 | Low | 56.6 | Low | 47.4 Ų | 47.4 | 83.4 Ų | 83.4 | 33% | 0.331 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -79.3 | 9.5 | 178.5 | 63.3 | 0 | 0 | 0 | 0 | 113.7 | C1886 Q1887 Q1888 E1892 I1893 R1894 | C1886-S1890 PolarHBondContact O-OG 3.42Å; Q1887-S1890 PolarHBondContact O-N 3Å; Q1887-S1890 PolarHBondContact O-OG 3.19Å; Q1887-S1890 VanDerWaalsContact O-OG 3.09Å; Q1888-S1890 PolarHBondContact O-N 3.24Å; Q1888-S1890 VanDerWaalsContact O-N 3.11Å; S1890-E1892 PolarHBondContact O-N 2.97Å; S1890-I1893 PolarHBondContact O-N 3.27Å; S1890-I1893 VanDerWaalsContact O-N 3.1Å; S1890-I1893 VanDerWaalsContact OG-CD1 3.27Å; S1890-I1893 WeakPolarHBondContact OG-CD1 3.4Å; S1890-I1893 WeakPolarHBondContact OG-CG1 3.34Å; S1890-R1894 WeakPolarHBondContact O-CB 3.42Å; S1890-R1894 PolarHBondContact O-N 3.06Å |
| 1891 | K | 57.4 | Low | 57.6 | Low | 100.4 Ų | 100.4 | 82.2 Ų | 82.2 | 44% | 0.437 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -71.8 | -45.7 | -174.1 | -159.7 | -178 | 175.2 | -168.8 | 0 | 112.4 | Q1888 P1889 I1893 R1894 D1895 T1936 F1937 | Q1888-K1891 WeakPolarHBondContact O-CB 3.17Å; Q1888-K1891 PolarHBondContact O-N 2.96Å; Q1888-K1891 VanDerWaalsContact O-N 3.11Å; P1889-K1891 VanDerWaalsContact C-N 3.29Å; P1889-K1891 PolarHBondContact O-N 3.18Å; K1891-I1893 VanDerWaalsContact C-N 3.29Å; K1891-I1893 PolarHBondContact O-N 3.14Å; K1891-R1894 PolarHBondContact O-N 3.14Å; K1891-R1894 VanDerWaalsContact O-N 3.12Å; K1891-D1895 WeakPolarHBondContact O-CB 3.4Å; K1891-D1895 VanDerWaalsContact O-CG 3.27Å; K1891-D1895 PolarHBondContact O-N 3.09Å; K1891-D1895 VanDerWaalsContact O-N 3.14Å; K1891-D1895 VanDerWaalsContact O-OD2 3.1Å; K1891-T1936 PolarHBondContact NZ-O 3.22Å; K1891-F1937 HydrophobicContact CD-CZ 4.5Å |
| 1892 | E | 53.6 | Low | 59 | Low | 101.8 Ų | 101.8 | 79.3 Ų | 79.3 | 48% | 0.476 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | -178.6 | -68.2 | -178.1 | 161.6 | 0 | 0 | 113.5 | S1890 R1894 D1895 N1896 F1937 | S1890-E1892 PolarHBondContact O-N 2.97Å; E1892-R1894 VanDerWaalsContact C-N 3.29Å; E1892-R1894 PolarHBondContact O-N 3.11Å; E1892-D1895 PolarHBondContact O-N 3.17Å; E1892-N1896 PolarHBondContact O-N 3.21Å; E1892-F1937 WeakPolarHBondContact OE1-CD1 3.4Å; E1892-F1937 WeakPolarHBondContact OE1-CE1 3.39Å; E1892-F1937 WeakPolarHBondContact OE1-CG 3.23Å |
| 1893 | I | 55.7 | Low | 60.3 | Low | 58.6 Ų | 58.6 | 68.7 Ų | 68.7 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 179.5 | -61.5 | 170.7 | 0 | 0 | 0 | 110.5 | N1615 S1890 K1891 N1896 Q1897 | N1615-I1893 HydrophobicContact CB-CG2 4.21Å; N1615-I1893 WeakPolarHBondContact OD1-CG2 3.47Å; S1890-I1893 PolarHBondContact O-N 3.27Å; S1890-I1893 VanDerWaalsContact O-N 3.1Å; S1890-I1893 VanDerWaalsContact OG-CD1 3.27Å; S1890-I1893 WeakPolarHBondContact OG-CD1 3.4Å; S1890-I1893 WeakPolarHBondContact OG-CG1 3.34Å; K1891-I1893 VanDerWaalsContact C-N 3.29Å; K1891-I1893 PolarHBondContact O-N 3.14Å; I1893-N1896 PolarHBondContact O-N 3.1Å; I1893-Q1897 WeakPolarHBondContact O-CG 3.41Å; I1893-Q1897 PolarHBondContact O-N 3.08Å; I1893-Q1897 VanDerWaalsContact O-N 3.1Å |
| 1894 | R | 60.7 | Low | 61.9 | Low | 50.6 Ų | 50.6 | 63.9 Ų | 63.9 | 19% | 0.191 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.2 | -40.5 | 179.8 | -167.7 | -174.2 | -42 | -157.2 | 0.9 | 111.8 | H1881 S1890 K1891 E1892 N1896 Q1897 H1898 | H1881-R1894 PolarHBondContact CD2-NH1 3.36Å; H1881-R1894 PolarHBondContact CE1-NH1 3.45Å; H1881-R1894 PolarHBondContact ND1-NH1 2.89Å; H1881-R1894 WeakPolarHBondContact NE2-CD 3.35Å; H1881-R1894 PolarHBondContact NE2-NH1 2.86Å; S1890-R1894 WeakPolarHBondContact O-CB 3.42Å; S1890-R1894 PolarHBondContact O-N 3.06Å; K1891-R1894 PolarHBondContact O-N 3.14Å; K1891-R1894 VanDerWaalsContact O-N 3.12Å; E1892-R1894 VanDerWaalsContact C-N 3.29Å; E1892-R1894 PolarHBondContact O-N 3.11Å; R1894-N1896 VanDerWaalsContact C-N 3.32Å; R1894-N1896 PolarHBondContact O-N 3.21Å; R1894-Q1897 WeakPolarHBondContact O-CB 3.35Å; R1894-Q1897 PolarHBondContact O-N 3.19Å; R1894-Q1897 VanDerWaalsContact O-N 3.15Å; R1894-H1898 PolarHBondContact O-CD2 2.8Å; R1894-H1898 PolarHBondContact O-N 3.3Å |
| 1895 | D | 65.5 | Low | 63.8 | Low | 43.8 Ų | 43.8 | 62.2 Ų | 62.2 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.3 | -67.4 | -20.8 | 0 | 0 | 0 | 109.8 | K1891 E1892 Q1897 H1898 L1899 F1937 W1943 | K1891-D1895 WeakPolarHBondContact O-CB 3.4Å; K1891-D1895 VanDerWaalsContact O-CG 3.27Å; K1891-D1895 PolarHBondContact O-N 3.09Å; K1891-D1895 VanDerWaalsContact O-N 3.14Å; K1891-D1895 VanDerWaalsContact O-OD2 3.1Å; E1892-D1895 PolarHBondContact O-N 3.17Å; D1895-Q1897 VanDerWaalsContact C-N 3.31Å; D1895-Q1897 PolarHBondContact O-N 3.3Å; D1895-H1898 WeakPolarHBondContact O-CA 3.37Å; D1895-H1898 WeakPolarHBondContact O-CB 3.47Å; D1895-H1898 PolarHBondContact O-N 2.92Å; D1895-H1898 VanDerWaalsContact O-N 3.08Å; D1895-L1899 WeakPolarHBondContact O-CB 3.37Å; D1895-L1899 PolarHBondContact O-N 3.28Å; D1895-F1937 HydrophobicContact CB-CD1 4.45Å; D1895-F1937 HydrophobicContact CB-CE1 4.49Å; D1895-F1937 VanDerWaalsContact CG-CE1 3.49Å; D1895-F1937 WeakPolarHBondContact OD2-CD1 3.34Å; D1895-F1937 WeakPolarHBondContact OD2-CE1 3.31Å; D1895-W1943 HydrophobicContact CB-CZ2 4.16Å; D1895-W1943 WeakPolarHBondContact O-CZ2 3.31Å; D1895-W1943 PolarHBondContact O-NE1 3.08Å |
| 1896 | N | 65.6 | Low | 66.1 | Low | 40.2 Ų | 40.2 | 52.6 Ų | 52.6 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 174.8 | -72 | -14 | 0 | 0 | 0 | 113.2 | Y1611 E1892 I1893 R1894 H1898 L1899 L1900 | Y1611-N1896 HydrophobicContact CD1-CB 3.9Å; Y1611-N1896 WeakPolarHBondContact CD1-ND2 3.32Å; Y1611-N1896 HydrophobicContact CD2-CB 4.13Å; Y1611-N1896 HydrophobicContact CE1-CB 4.23Å; Y1611-N1896 WeakPolarHBondContact CE1-ND2 3.35Å; Y1611-N1896 HydrophobicContact CE2-CB 4.5Å; Y1611-N1896 HydrophobicContact CG-CB 3.77Å; Y1611-N1896 VanDerWaalsContact CZ-ND2 3.29Å; E1892-N1896 PolarHBondContact O-N 3.21Å; I1893-N1896 PolarHBondContact O-N 3.1Å; R1894-N1896 VanDerWaalsContact C-N 3.32Å; R1894-N1896 PolarHBondContact O-N 3.21Å; N1896-H1898 VanDerWaalsContact C-N 3.33Å; N1896-H1898 PolarHBondContact O-N 3.46Å; N1896-L1899 WeakPolarHBondContact O-CB 3.2Å; N1896-L1899 PolarHBondContact O-N 3.18Å; N1896-L1899 VanDerWaalsContact O-N 3.13Å; N1896-L1900 WeakPolarHBondContact O-CD1 3.44Å; N1896-L1900 PolarHBondContact O-N 3.24Å; N1896-L1900 VanDerWaalsContact O-N 3.1Å |
| 1897 | Q | 67.9 | Low | 68.6 | Low | 25 Ų | 25 | 52.3 Ų | 52.3 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 173.7 | -72.6 | 174.7 | -9.7 | 0 | 0 | 112.3 | Y1611 L1612 N1615 I1893 R1894 D1895 L1899 L1900 M1901 | Y1611-Q1897 WeakPolarHBondContact O-CG 3.42Å; Y1611-Q1897 PolarHBondContact O-NE2 2.97Å; Y1611-Q1897 VanDerWaalsContact O-NE2 3.1Å; L1612-Q1897 HydrophobicContact CD2-CG 4.24Å; N1615-Q1897 PolarHBondContact OD1-NE2 2.89Å; I1893-Q1897 WeakPolarHBondContact O-CG 3.41Å; I1893-Q1897 PolarHBondContact O-N 3.08Å; I1893-Q1897 VanDerWaalsContact O-N 3.1Å; R1894-Q1897 WeakPolarHBondContact O-CB 3.35Å; R1894-Q1897 PolarHBondContact O-N 3.19Å; R1894-Q1897 VanDerWaalsContact O-N 3.15Å; D1895-Q1897 VanDerWaalsContact C-N 3.31Å; D1895-Q1897 PolarHBondContact O-N 3.3Å; Q1897-L1899 VanDerWaalsContact C-N 3.3Å; Q1897-L1899 PolarHBondContact O-N 3.18Å; Q1897-L1900 WeakPolarHBondContact O-CA 3.3Å; Q1897-L1900 WeakPolarHBondContact O-CB 3.43Å; Q1897-L1900 PolarHBondContact O-N 3.42Å; Q1897-M1901 WeakPolarHBondContact O-CG 3.38Å; Q1897-M1901 PolarHBondContact O-N 3.17Å; Q1897-M1901 VanDerWaalsContact O-N 3.12Å; Q1897-M1901 VanDerWaalsContact O-SD 3.39Å |
| 1898 | H | 76.5 | Confident | 70.8 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -40 | 176 | -75.7 | -165.3 | 0 | 0 | 0 | 111.5 | L1874 S1877 R1894 D1895 N1896 L1900 M1901 Y1902 W1943 | L1874-H1898 HydrophobicContact CD2-CB 4.43Å; S1877-H1898 WeakPolarHBondContact CB-NE2 3.42Å; S1877-H1898 PolarHBondContact OG-NE2 3.13Å; R1894-H1898 PolarHBondContact O-CD2 2.8Å; R1894-H1898 PolarHBondContact O-N 3.3Å; D1895-H1898 WeakPolarHBondContact O-CA 3.37Å; D1895-H1898 WeakPolarHBondContact O-CB 3.47Å; D1895-H1898 PolarHBondContact O-N 2.92Å; D1895-H1898 VanDerWaalsContact O-N 3.08Å; N1896-H1898 VanDerWaalsContact C-N 3.33Å; N1896-H1898 PolarHBondContact O-N 3.46Å; H1898-L1900 VanDerWaalsContact C-N 3.32Å; H1898-L1900 PolarHBondContact O-N 2.91Å; H1898-M1901 PolarHBondContact O-N 3.09Å; H1898-M1901 VanDerWaalsContact O-N 3.15Å; H1898-Y1902 HydrophobicContact CB-CD2 4.4Å; H1898-Y1902 HydrophobicContact CB-CE2 4.41Å; H1898-Y1902 WeakPolarHBondContact O-CB 3.38Å; H1898-Y1902 WeakPolarHBondContact O-CD2 3.29Å; H1898-Y1902 PolarHBondContact O-N 3.29Å; H1898-W1943 HydrophobicContact CB-CH2 4.06Å; H1898-W1943 HydrophobicContact CB-CZ2 4.12Å |
| 1899 | L | 74.9 | Confident | 73 | Confident | 13.6 Ų | 13.6 | 36.9 Ų | 36.9 | 7% | 0.071 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -48.7 | 176.4 | -177.8 | 63.1 | 0 | 0 | 0 | 111.9 | I1607 D1895 N1896 Q1897 M1901 Y1902 S1903 V1942 W1943 C1946 L1947 | I1607-L1899 HydrophobicContact CD1-CD2 4.05Å; I1607-L1899 HydrophobicContact CD1-CG 3.72Å; I1607-L1899 HydrophobicContact CG1-CD2 4.27Å; I1607-L1899 HydrophobicContact CG1-CG 4.47Å; D1895-L1899 WeakPolarHBondContact O-CB 3.37Å; D1895-L1899 PolarHBondContact O-N 3.28Å; N1896-L1899 WeakPolarHBondContact O-CB 3.2Å; N1896-L1899 PolarHBondContact O-N 3.18Å; N1896-L1899 VanDerWaalsContact O-N 3.13Å; Q1897-L1899 VanDerWaalsContact C-N 3.3Å; Q1897-L1899 PolarHBondContact O-N 3.18Å; L1899-M1901 VanDerWaalsContact C-N 3.29Å; L1899-M1901 PolarHBondContact O-N 3.16Å; L1899-Y1902 PolarHBondContact O-N 3.25Å; L1899-S1903 VanDerWaalsContact O-CB 3.27Å; L1899-S1903 WeakPolarHBondContact O-CB 3.33Å; L1899-S1903 PolarHBondContact O-N 3.26Å; L1899-S1903 PolarHBondContact O-OG 3.2Å; L1899-V1942 HydrophobicContact CD2-CG1 4.14Å; L1899-W1943 HydrophobicContact CB-CB 4.34Å; L1899-W1943 HydrophobicContact CB-CD2 4.23Å; L1899-W1943 VanDerWaalsContact CB-CE2 3.46Å; L1899-W1943 HydrophobicContact CB-CG 4.46Å; L1899-W1943 HydrophobicContact CB-CZ2 3.89Å; L1899-W1943 HydrophobicContact CD1-CB 4.31Å; L1899-W1943 HydrophobicContact CD1-CD2 3.82Å; L1899-W1943 HydrophobicContact CD1-CE3 4.12Å; L1899-W1943 HydrophobicContact CD1-CG 3.98Å; L1899-W1943 HydrophobicContact CD1-CZ2 4.27Å; L1899-W1943 HydrophobicContact CD2-CB 3.76Å; L1899-W1943 HydrophobicContact CD2-CD2 4.39Å; L1899-W1943 HydrophobicContact CD2-CG 4.14Å; L1899-W1943 HydrophobicContact CG-CB 4.18Å; L1899-W1943 HydrophobicContact CG-CD2 4.39Å; L1899-W1943 HydrophobicContact CG-CG 4.33Å; L1899-W1943 VanDerWaalsContact N-CZ2 3.3Å; L1899-C1946 HydrophobicContact CD1-CB 4.27Å; L1899-C1946 HydrophobicContact CD2-CB 4.47Å; L1899-L1947 HydrophobicContact CD1-CD1 4.19Å; L1899-L1947 HydrophobicContact CD1-CD2 4.07Å; L1899-L1947 HydrophobicContact CD1-CG 3.91Å |
| 1900 | L | 74.2 | Confident | 75.3 | Confident | 21.2 Ų | 21.2 | 32.6 Ų | 32.6 | 11% | 0.111 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -47.3 | -53.8 | 166.8 | -135.2 | 82.8 | 0 | 0 | 0 | 113.1 | I1607 L1612 N1896 Q1897 H1898 Y1902 S1903 G1904 | I1607-L1900 HydrophobicContact CB-CD1 4.01Å; I1607-L1900 HydrophobicContact CB-CD2 4.48Å; I1607-L1900 HydrophobicContact CB-CG 4.43Å; I1607-L1900 HydrophobicContact CD1-CD1 4.04Å; I1607-L1900 HydrophobicContact CD1-CG 4.13Å; I1607-L1900 HydrophobicContact CG1-CD1 3.75Å; I1607-L1900 HydrophobicContact CG1-CG 4.35Å; I1607-L1900 HydrophobicContact CG2-CB 4.05Å; I1607-L1900 HydrophobicContact CG2-CD1 3.75Å; I1607-L1900 VanDerWaalsContact CG2-CD1 3.47Å; I1607-L1900 HydrophobicContact CG2-CD2 3.52Å; I1607-L1900 VanDerWaalsContact CG2-CD2 3.44Å; I1607-L1900 HydrophobicContact CG2-CG 3.59Å; I1607-L1900 VanDerWaalsContact CG2-CG 3.49Å; L1612-L1900 HydrophobicContact CB-CD2 4.21Å; L1612-L1900 HydrophobicContact CD1-CB 4.01Å; L1612-L1900 HydrophobicContact CD1-CD2 3.65Å; L1612-L1900 HydrophobicContact CD1-CG 4.2Å; L1612-L1900 HydrophobicContact CD2-CB 4.13Å; L1612-L1900 HydrophobicContact CD2-CD2 3.28Å; L1612-L1900 VanDerWaalsContact CD2-CD2 3.44Å; L1612-L1900 HydrophobicContact CD2-CG 4.37Å; L1612-L1900 HydrophobicContact CG-CB 4.36Å; L1612-L1900 HydrophobicContact CG-CD1 4.28Å; L1612-L1900 HydrophobicContact CG-CD2 3.41Å; L1612-L1900 VanDerWaalsContact CG-CD2 3.4Å; L1612-L1900 HydrophobicContact CG-CG 4.32Å; N1896-L1900 WeakPolarHBondContact O-CD1 3.44Å; N1896-L1900 PolarHBondContact O-N 3.24Å; N1896-L1900 VanDerWaalsContact O-N 3.1Å; Q1897-L1900 WeakPolarHBondContact O-CA 3.3Å; Q1897-L1900 WeakPolarHBondContact O-CB 3.43Å; Q1897-L1900 PolarHBondContact O-N 3.42Å; H1898-L1900 VanDerWaalsContact C-N 3.32Å; H1898-L1900 PolarHBondContact O-N 2.91Å; L1900-Y1902 VanDerWaalsContact C-N 3.27Å; L1900-Y1902 PolarHBondContact O-N 3.46Å; L1900-S1903 VanDerWaalsContact CA-OG 3.31Å; L1900-S1903 WeakPolarHBondContact CA-OG 3.28Å; L1900-S1903 PolarHBondContact O-N 3.18Å; L1900-S1903 PolarHBondContact O-OG 3.1Å; L1900-G1904 PolarHBondContact O-N 3.29Å |
| 1901 | M | 82.4 | Confident | 77.1 | Confident | 8.8 Ų | 8.8 | 30.9 Ų | 30.9 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.2 | -40.4 | 179.1 | -63.5 | 162.6 | 90.2 | 0 | 0 | 112 | L1851 Y1870 S1873 L1874 Q1897 H1898 L1899 G1904 L1905 | L1851-M1901 HydrophobicContact CD1-CE 4.39Å; L1851-M1901 HydrophobicContact CD1-CG 3.88Å; L1851-M1901 HydrophobicContact CD2-CE 4.27Å; L1851-M1901 HydrophobicContact CD2-CG 3.95Å; L1851-M1901 HydrophobicContact CD2-SD 4.39Å; Y1870-M1901 HydrophobicContact CD1-CB 4.37Å; Y1870-M1901 HydrophobicContact CD1-CG 4.23Å; S1873-M1901 VanDerWaalsContact O-CE 3.31Å; S1873-M1901 WeakPolarHBondContact O-CE 3.26Å; L1874-M1901 VanDerWaalsContact CA-CE 3.42Å; L1874-M1901 HydrophobicContact CB-CE 4.31Å; L1874-M1901 HydrophobicContact CD1-CB 4.34Å; L1874-M1901 HydrophobicContact CD2-CB 3.65Å; L1874-M1901 HydrophobicContact CD2-CE 3.99Å; L1874-M1901 HydrophobicContact CD2-CG 4.45Å; L1874-M1901 HydrophobicContact CD2-SD 4.11Å; L1874-M1901 HydrophobicContact CG-CB 3.83Å; L1874-M1901 HydrophobicContact CG-CE 3.87Å; L1874-M1901 HydrophobicContact CG-SD 4.38Å; L1874-M1901 VanDerWaalsContact N-CE 3.26Å; Q1897-M1901 WeakPolarHBondContact O-CG 3.38Å; Q1897-M1901 PolarHBondContact O-N 3.17Å; Q1897-M1901 VanDerWaalsContact O-N 3.12Å; Q1897-M1901 VanDerWaalsContact O-SD 3.39Å; H1898-M1901 PolarHBondContact O-N 3.09Å; H1898-M1901 VanDerWaalsContact O-N 3.15Å; L1899-M1901 VanDerWaalsContact C-N 3.29Å; L1899-M1901 PolarHBondContact O-N 3.16Å; M1901-G1904 PolarHBondContact O-N 3.25Å; M1901-L1905 VanDerWaalsContact O-CB 3.26Å; M1901-L1905 WeakPolarHBondContact O-CB 3.36Å; M1901-L1905 PolarHBondContact O-N 2.81Å |
| 1902 | Y | 86.6 | Confident | 78.7 | Confident | 27.4 Ų | 27.4 | 26.4 Ų | 26.4 | 11% | 0.107 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 174.3 | -79.9 | -60.1 | 0 | 0 | 0 | 112.1 | L1874 E1878 H1898 L1899 L1900 L1905 F1906 L1926 W1943 | L1874-Y1902 HydrophobicContact CD1-CD1 3.8Å; L1874-Y1902 HydrophobicContact CD1-CE1 3.69Å; L1874-Y1902 HydrophobicContact CD1-CG 4.35Å; L1874-Y1902 HydrophobicContact CD2-CD1 4.46Å; L1874-Y1902 HydrophobicContact CD2-CD2 4.12Å; L1874-Y1902 HydrophobicContact CD2-CE1 4.28Å; L1874-Y1902 HydrophobicContact CD2-CE2 3.86Å; L1874-Y1902 HydrophobicContact CD2-CG 4.42Å; E1878-Y1902 PolarHBondContact OE1-OH 2.9Å; H1898-Y1902 HydrophobicContact CB-CD2 4.4Å; H1898-Y1902 HydrophobicContact CB-CE2 4.41Å; H1898-Y1902 WeakPolarHBondContact O-CB 3.38Å; H1898-Y1902 WeakPolarHBondContact O-CD2 3.29Å; H1898-Y1902 PolarHBondContact O-N 3.29Å; L1899-Y1902 PolarHBondContact O-N 3.25Å; L1900-Y1902 VanDerWaalsContact C-N 3.27Å; L1900-Y1902 PolarHBondContact O-N 3.46Å; Y1902-L1905 HydrophobicContact CD1-CD2 4.42Å; Y1902-L1905 WeakPolarHBondContact O-CB 3.41Å; Y1902-L1905 PolarHBondContact O-N 2.99Å; Y1902-F1906 HydrophobicContact CD1-CE2 4.47Å; Y1902-F1906 HydrophobicContact CD1-CZ 4.29Å; Y1902-F1906 WeakPolarHBondContact O-CB 3.37Å; Y1902-F1906 VanDerWaalsContact O-CD2 3.24Å; Y1902-F1906 WeakPolarHBondContact O-CD2 3.36Å; Y1902-F1906 WeakPolarHBondContact O-CG 3.36Å; Y1902-F1906 PolarHBondContact O-N 3.1Å; Y1902-L1926 HydrophobicContact CD1-CD1 3.77Å; Y1902-L1926 HydrophobicContact CD2-CD1 3.92Å; Y1902-L1926 HydrophobicContact CE1-CD1 3.84Å; Y1902-L1926 HydrophobicContact CE2-CD1 3.98Å; Y1902-L1926 HydrophobicContact CE2-CD2 4.08Å; Y1902-L1926 HydrophobicContact CG-CD1 3.83Å; Y1902-W1943 HydrophobicContact CD2-CH2 4.27Å; Y1902-W1943 HydrophobicContact CD2-CZ3 4.29Å; Y1902-W1943 HydrophobicContact CE2-CH2 4.35Å |
| 1903 | S | 83.9 | Confident | 80.4 | Confident | 6.4 Ų | 6.4 | 22 Ų | 22 | 5% | 0.045 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.8 | 144.4 | 0 | 0 | 0 | 0 | 111.4 | I1607 L1899 L1900 L1905 F1906 R1907 H1950 | I1607-S1903 VanDerWaalsContact CD1-OG 3.29Å; I1607-S1903 WeakPolarHBondContact CD1-OG 3.48Å; L1899-S1903 VanDerWaalsContact O-CB 3.27Å; L1899-S1903 WeakPolarHBondContact O-CB 3.33Å; L1899-S1903 PolarHBondContact O-N 3.26Å; L1899-S1903 PolarHBondContact O-OG 3.2Å; L1900-S1903 VanDerWaalsContact CA-OG 3.31Å; L1900-S1903 WeakPolarHBondContact CA-OG 3.28Å; L1900-S1903 PolarHBondContact O-N 3.18Å; L1900-S1903 PolarHBondContact O-OG 3.1Å; S1903-L1905 VanDerWaalsContact C-N 3.31Å; S1903-L1905 PolarHBondContact O-N 3.02Å; S1903-F1906 PolarHBondContact O-N 3.03Å; S1903-R1907 WeakPolarHBondContact O-CB 3.32Å; S1903-R1907 VanDerWaalsContact O-CG 3.3Å; S1903-R1907 WeakPolarHBondContact O-CG 3.35Å; S1903-R1907 PolarHBondContact O-N 3.26Å; S1903-R1907 PolarHBondContact O-NE 3.47Å; S1903-H1950 PolarHBondContact OG-NE2 3.34Å |
| 1904 | G | 83.7 | Confident | 82 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1870 L1900 M1901 F1906 R1907 C1908 | Y1870-G1904 VanDerWaalsContact CE2-C 3.46Å; L1900-G1904 PolarHBondContact O-N 3.29Å; M1901-G1904 PolarHBondContact O-N 3.25Å; G1904-F1906 PolarHBondContact O-N 3.24Å; G1904-R1907 PolarHBondContact O-N 3.08Å; G1904-C1908 PolarHBondContact O-N 3Å; G1904-C1908 VanDerWaalsContact O-N 3.12Å; G1904-C1908 PolarHBondContact O-SG 3.32Å |
| 1905 | L | 90.1 | Very high | 83.4 | Confident | 1.8 Ų | 1.8 | 23.1 Ų | 23.1 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.6 | -49.8 | 174.9 | 178 | 59.4 | 0 | 0 | 0 | 111.8 | A1867 Y1870 E1871 L1874 M1901 Y1902 S1903 R1907 C1908 E1909 | A1867-L1905 HydrophobicContact CB-CD1 3.76Å; Y1870-L1905 HydrophobicContact CG-CB 4.45Å; E1871-L1905 HydrophobicContact CG-CD1 3.81Å; E1871-L1905 HydrophobicContact CG-CD2 3.89Å; L1874-L1905 HydrophobicContact CD1-CD2 4.04Å; M1901-L1905 VanDerWaalsContact O-CB 3.26Å; M1901-L1905 WeakPolarHBondContact O-CB 3.36Å; M1901-L1905 PolarHBondContact O-N 2.81Å; Y1902-L1905 HydrophobicContact CD1-CD2 4.42Å; Y1902-L1905 WeakPolarHBondContact O-CB 3.41Å; Y1902-L1905 PolarHBondContact O-N 2.99Å; S1903-L1905 VanDerWaalsContact C-N 3.31Å; S1903-L1905 PolarHBondContact O-N 3.02Å; L1905-R1907 PolarHBondContact O-N 3.24Å; L1905-C1908 CarbonylContact O-C 3.39Å; L1905-C1908 WeakPolarHBondContact O-CA 3.17Å; L1905-C1908 WeakPolarHBondContact O-CB 3.35Å; L1905-C1908 PolarHBondContact O-N 3.44Å; L1905-C1908 VanDerWaalsContact O-N 3.12Å; L1905-E1909 HydrophobicContact CD1-CG 4.2Å; L1905-E1909 HydrophobicContact CG-CG 4.47Å; L1905-E1909 WeakPolarHBondContact O-CG 3.24Å; L1905-E1909 PolarHBondContact O-N 3.28Å |
| 1906 | F | 91.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.8 | -37.2 | -178.7 | -65.1 | -29 | 0 | 0 | 0 | 112.6 | Y1902 S1903 G1904 C1908 E1909 L1910 L1919 R1922 A1923 L1926 L1947 H1950 | Y1902-F1906 HydrophobicContact CD1-CE2 4.47Å; Y1902-F1906 HydrophobicContact CD1-CZ 4.29Å; Y1902-F1906 WeakPolarHBondContact O-CB 3.37Å; Y1902-F1906 VanDerWaalsContact O-CD2 3.24Å; Y1902-F1906 WeakPolarHBondContact O-CD2 3.36Å; Y1902-F1906 WeakPolarHBondContact O-CG 3.36Å; Y1902-F1906 PolarHBondContact O-N 3.1Å; S1903-F1906 PolarHBondContact O-N 3.03Å; G1904-F1906 PolarHBondContact O-N 3.24Å; F1906-C1908 VanDerWaalsContact C-N 3.28Å; F1906-C1908 PolarHBondContact O-N 3.08Å; F1906-E1909 PolarHBondContact O-N 3.18Å; F1906-E1909 VanDerWaalsContact O-N 3.13Å; F1906-L1910 WeakPolarHBondContact O-CB 3.36Å; F1906-L1910 VanDerWaalsContact O-CG 3.29Å; F1906-L1910 WeakPolarHBondContact O-CG 3.38Å; F1906-L1910 PolarHBondContact O-N 3.14Å; F1906-L1919 HydrophobicContact CB-CD1 3.99Å; F1906-L1919 HydrophobicContact CB-CG 4.26Å; F1906-L1919 HydrophobicContact CD1-CB 4.45Å; F1906-L1919 HydrophobicContact CD1-CD1 4.1Å; F1906-L1919 HydrophobicContact CD1-CD2 4.37Å; F1906-L1919 HydrophobicContact CD1-CG 3.58Å; F1906-L1919 HydrophobicContact CE1-CG 4.06Å; F1906-L1919 HydrophobicContact CG-CD1 4.29Å; F1906-L1919 HydrophobicContact CG-CD2 4.4Å; F1906-L1919 HydrophobicContact CG-CG 4Å; F1906-R1922 HydrophobicContact CE1-CB 4.35Å; F1906-R1922 HydrophobicContact CE1-CG 4.35Å; F1906-R1922 HydrophobicContact CZ-CB 4.33Å; F1906-R1922 HydrophobicContact CZ-CG 4.2Å; F1906-A1923 HydrophobicContact CE2-CB 3.91Å; F1906-A1923 HydrophobicContact CZ-CB 4.01Å; F1906-L1926 HydrophobicContact CE2-CD1 4.37Å; F1906-L1926 HydrophobicContact CZ-CD1 4.26Å; F1906-L1947 HydrophobicContact CD2-CD2 4.08Å; F1906-L1947 HydrophobicContact CE2-CD2 3.69Å; F1906-H1950 HydrophobicContact CB-CB 4.17Å; F1906-H1950 HydrophobicContact CD2-CB 4.27Å |
| 1907 | R | 88.4 | Confident | 85.9 | Confident | 89.2 Ų | 89.2 | 24.8 Ų | 24.8 | 34% | 0.337 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59 | -39.4 | 170.8 | -73.2 | -176.4 | -54.9 | 176.9 | 2.4 | 112.3 | E1858 S1903 G1904 L1905 P1911 | E1858-R1907 VanDerWaalsContact CD-NH2 3.32Å; E1858-R1907 IonicContact OE1-CZ 3.4Å; E1858-R1907 IonicContact OE1-NE 3.26Å; E1858-R1907 PolarHBondContact OE1-NE 3.37Å; E1858-R1907 VanDerWaalsContact OE1-NE 3.13Å; E1858-R1907 IonicContact OE1-NH1 3.29Å; E1858-R1907 PolarHBondContact OE1-NH1 3.39Å; E1858-R1907 IonicContact OE1-NH2 3.43Å; E1858-R1907 PolarHBondContact OE1-NH2 3.06Å; E1858-R1907 IonicContact OE2-CZ 3.32Å; E1858-R1907 IonicContact OE2-NH1 2.86Å; E1858-R1907 IonicContact OE2-NH2 3.51Å; E1858-R1907 PolarHBondContact OE2-NH2 3.11Å; S1903-R1907 WeakPolarHBondContact O-CB 3.32Å; S1903-R1907 VanDerWaalsContact O-CG 3.3Å; S1903-R1907 WeakPolarHBondContact O-CG 3.35Å; S1903-R1907 PolarHBondContact O-N 3.26Å; S1903-R1907 PolarHBondContact O-NE 3.47Å; G1904-R1907 PolarHBondContact O-N 3.08Å; L1905-R1907 PolarHBondContact O-N 3.24Å; R1907-P1911 WeakPolarHBondContact O-CD 3.38Å |
| 1908 | C | 89.6 | Confident | 87 | Confident | 4.8 Ų | 4.8 | 25.4 Ų | 25.4 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71.6 | -31.3 | 176.9 | -63.3 | 0 | 0 | 0 | 0 | 113 | L1863 A1867 G1904 L1905 F1906 P1911 | L1863-C1908 HydrophobicContact CB-CB 4.2Å; L1863-C1908 HydrophobicContact CD2-CB 4.24Å; A1867-C1908 HydrophobicContact CB-CB 3.98Å; G1904-C1908 PolarHBondContact O-N 3Å; G1904-C1908 VanDerWaalsContact O-N 3.12Å; G1904-C1908 PolarHBondContact O-SG 3.32Å; L1905-C1908 CarbonylContact O-C 3.39Å; L1905-C1908 WeakPolarHBondContact O-CA 3.17Å; L1905-C1908 WeakPolarHBondContact O-CB 3.35Å; L1905-C1908 PolarHBondContact O-N 3.44Å; L1905-C1908 VanDerWaalsContact O-N 3.12Å; F1906-C1908 VanDerWaalsContact C-N 3.28Å; F1906-C1908 PolarHBondContact O-N 3.08Å; C1908-P1911 WeakPolarHBondContact O-CD 3.28Å |
| 1909 | E | 90.8 | Very high | 87.7 | Confident | 10.2 Ų | 10.2 | 24.3 Ų | 24.3 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -83 | -27.1 | -179.7 | -70.2 | -177.7 | 160.8 | 0 | 0 | 113.7 | L1905 F1906 P1911 D1912 R1915 L1919 R1922 | L1905-E1909 HydrophobicContact CD1-CG 4.2Å; L1905-E1909 HydrophobicContact CG-CG 4.47Å; L1905-E1909 WeakPolarHBondContact O-CG 3.24Å; L1905-E1909 PolarHBondContact O-N 3.28Å; F1906-E1909 PolarHBondContact O-N 3.18Å; F1906-E1909 VanDerWaalsContact O-N 3.13Å; E1909-P1911 VanDerWaalsContact C-CD 3.47Å; E1909-P1911 VanDerWaalsContact C-N 3.35Å; E1909-D1912 PolarHBondContact O-N 3.04Å; E1909-D1912 VanDerWaalsContact O-N 3.1Å; E1909-R1915 HydrophobicContact CB-CB 4.08Å; E1909-R1915 HydrophobicContact CG-CB 4.31Å; E1909-L1919 HydrophobicContact CB-CD1 4.13Å; E1909-R1922 IonicContact OE1-CZ 3.77Å; E1909-R1922 IonicContact OE1-NH1 3.71Å; E1909-R1922 PolarHBondContact OE1-NH1 2.97Å; E1909-R1922 IonicContact OE1-NH2 2.86Å; E1909-R1922 IonicContact OE2-NH1 3.56Å; E1909-R1922 PolarHBondContact OE2-NH1 3.12Å; E1909-R1922 VanDerWaalsContact OE2-NH1 3.13Å |
| 1910 | L | 91 | Very high | 88.5 | Confident | 10.6 Ų | 10.6 | 23.9 Ų | 23.9 | 6% | 0.055 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -38.5 | -176.8 | -87.8 | 170.2 | 0 | 0 | 0 | 115.5 | F1906 D1912 L1916 L1919 E1953 A1954 R1957 | F1906-L1910 WeakPolarHBondContact O-CB 3.36Å; F1906-L1910 VanDerWaalsContact O-CG 3.29Å; F1906-L1910 WeakPolarHBondContact O-CG 3.38Å; F1906-L1910 PolarHBondContact O-N 3.14Å; L1910-D1912 VanDerWaalsContact C-N 3.33Å; L1910-D1912 PolarHBondContact O-N 3.35Å; L1910-L1916 HydrophobicContact CD2-CD2 4.24Å; L1910-L1916 WeakPolarHBondContact O-CD2 3.4Å; L1910-L1919 HydrophobicContact CD2-CD1 4.15Å; L1910-L1919 HydrophobicContact CG-CD1 4.08Å; L1910-E1953 HydrophobicContact CD1-CG 4.31Å; L1910-E1953 HydrophobicContact CD2-CB 4.02Å; L1910-E1953 HydrophobicContact CD2-CG 3.87Å; L1910-A1954 HydrophobicContact CD2-CB 4.28Å; L1910-R1957 VanDerWaalsContact C-NH1 3.33Å; L1910-R1957 PolarHBondContact O-NH1 3.14Å |
| 1911 | P | 89.7 | Confident | 89.3 | Confident | 12 Ų | 12 | 27.6 Ų | 27.6 | 8% | 0.078 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -18.8 | -179.4 | -21.3 | 36 | 0 | 0 | 0 | 114.5 | L1863 R1907 C1908 E1909 P1913 F2087 E2091 | L1863-P1911 HydrophobicContact CD1-CB 4.39Å; L1863-P1911 HydrophobicContact CD1-CG 3.74Å; R1907-P1911 WeakPolarHBondContact O-CD 3.38Å; C1908-P1911 WeakPolarHBondContact O-CD 3.28Å; E1909-P1911 VanDerWaalsContact C-CD 3.47Å; E1909-P1911 VanDerWaalsContact C-N 3.35Å; P1911-P1913 VanDerWaalsContact O-CD 3.26Å; P1911-P1913 WeakPolarHBondContact O-CD 3.31Å; P1911-F2087 HydrophobicContact CB-CE1 3.85Å; P1911-F2087 HydrophobicContact CB-CZ 3.64Å; P1911-F2087 HydrophobicContact CG-CE1 3.93Å; P1911-F2087 HydrophobicContact CG-CZ 4.24Å; P1911-E2091 HydrophobicContact CB-CG 4.2Å |
| 1912 | D | 90.8 | Very high | 89.7 | Confident | 7 Ų | 7 | 31.4 Ų | 31.4 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | trans | -93.5 | 108.9 | 180 | -175.1 | 1.8 | 0 | 0 | 0 | 110.9 | E1909 L1910 A1914 R1915 A2154 T2157 | E1909-D1912 PolarHBondContact O-N 3.04Å; E1909-D1912 VanDerWaalsContact O-N 3.1Å; L1910-D1912 VanDerWaalsContact C-N 3.33Å; L1910-D1912 PolarHBondContact O-N 3.35Å; D1912-A1914 PolarHBondContact O-N 3.18Å; D1912-A1914 WeakPolarHBondContact OD1-CB 3.47Å; D1912-A1914 PolarHBondContact OD1-N 3.28Å; D1912-A1914 VanDerWaalsContact OD1-N 3.1Å; D1912-R1915 HydrophobicContact CB-CB 4.46Å; D1912-R1915 HydrophobicContact CB-CG 4.18Å; D1912-R1915 PolarHBondContact O-N 3.18Å; D1912-R1915 WeakPolarHBondContact OD2-CG 3.44Å; D1912-R1915 IonicContact OD2-CZ 3.27Å; D1912-R1915 IonicContact OD2-NE 3.33Å; D1912-R1915 PolarHBondContact OD2-NE 3.29Å; D1912-R1915 VanDerWaalsContact OD2-NE 3.09Å; D1912-R1915 IonicContact OD2-NH2 3.58Å; D1912-A2154 HydrophobicContact CB-CB 4.01Å; D1912-T2157 WeakPolarHBondContact OD1-CB 3.32Å; D1912-T2157 PolarHBondContact OD1-OG1 3.04Å | ||
| 1913 | P | 88.3 | Confident | 89.8 | Confident | 8.8 Ų | 8.8 | 30.1 Ų | 30.1 | 6% | 0.057 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.6 | -178.9 | -12.1 | 20.3 | 0 | 0 | 0 | 113.9 | P1911 R1915 L1916 W2139 T2157 | P1911-P1913 VanDerWaalsContact O-CD 3.26Å; P1911-P1913 WeakPolarHBondContact O-CD 3.31Å; P1913-R1915 VanDerWaalsContact C-N 3.31Å; P1913-R1915 PolarHBondContact O-N 2.88Å; P1913-L1916 HydrophobicContact CB-CD1 4.44Å; P1913-W2139 HydrophobicContact CB-CH2 4.07Å; P1913-W2139 HydrophobicContact CB-CZ3 4.38Å; P1913-W2139 HydrophobicContact CG-CH2 3.61Å; P1913-W2139 HydrophobicContact CG-CZ3 3.46Å; P1913-W2139 VanDerWaalsContact CG-CZ3 3.46Å; P1913-T2157 HydrophobicContact CB-CG2 3.83Å; P1913-T2157 HydrophobicContact CG-CG2 4.02Å |
| 1914 | A | 89.5 | Confident | 90 | Very high | 67 Ų | 67 | 29.8 Ų | 29.8 | 55% | 0.554 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -25.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1912 T2157 | D1912-A1914 PolarHBondContact O-N 3.18Å; D1912-A1914 WeakPolarHBondContact OD1-CB 3.47Å; D1912-A1914 PolarHBondContact OD1-N 3.28Å; D1912-A1914 VanDerWaalsContact OD1-N 3.1Å; A1914-T2157 HydrophobicContact CB-CG2 3.89Å |
| 1915 | R | 90.7 | Very high | 90.1 | Very high | 64.6 Ų | 64.6 | 32.1 Ų | 32.1 | 24% | 0.244 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -16.5 | -176.2 | -60.4 | -174.7 | -167.7 | -165.1 | 3 | 113.5 | D1864 E1909 D1912 P1913 H1917 G1918 L1919 | D1864-R1915 IonicContact OD1-CZ 3.08Å; D1864-R1915 IonicContact OD1-NE 3.27Å; D1864-R1915 IonicContact OD1-NH1 2.82Å; D1864-R1915 IonicContact OD1-NH2 3.33Å; D1864-R1915 PolarHBondContact OD1-NH2 2.92Å; E1909-R1915 HydrophobicContact CB-CB 4.08Å; E1909-R1915 HydrophobicContact CG-CB 4.31Å; D1912-R1915 HydrophobicContact CB-CB 4.46Å; D1912-R1915 HydrophobicContact CB-CG 4.18Å; D1912-R1915 PolarHBondContact O-N 3.18Å; D1912-R1915 WeakPolarHBondContact OD2-CG 3.44Å; D1912-R1915 IonicContact OD2-CZ 3.27Å; D1912-R1915 IonicContact OD2-NE 3.33Å; D1912-R1915 PolarHBondContact OD2-NE 3.29Å; D1912-R1915 VanDerWaalsContact OD2-NE 3.09Å; D1912-R1915 IonicContact OD2-NH2 3.58Å; P1913-R1915 VanDerWaalsContact C-N 3.31Å; P1913-R1915 PolarHBondContact O-N 2.88Å; R1915-H1917 VanDerWaalsContact C-N 3.29Å; R1915-H1917 PolarHBondContact O-N 3.02Å; R1915-H1917 VanDerWaalsContact O-N 3.16Å; R1915-G1918 PolarHBondContact O-N 3.11Å; R1915-G1918 VanDerWaalsContact O-N 3.11Å; R1915-L1919 PolarHBondContact O-N 3.3Å |
| 1916 | L | 91.8 | Very high | 89.8 | Confident | 3.8 Ų | 3.8 | 33 Ų | 33 | 2% | 0.02 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.6 | -39.8 | -175.6 | -65.5 | 178.3 | 0 | 0 | 0 | 113.4 | L1910 P1913 G1918 L1919 V1920 A1954 R1957 L1958 | L1910-L1916 HydrophobicContact CD2-CD2 4.24Å; L1910-L1916 WeakPolarHBondContact O-CD2 3.4Å; P1913-L1916 HydrophobicContact CB-CD1 4.44Å; L1916-G1918 VanDerWaalsContact C-N 3.35Å; L1916-G1918 PolarHBondContact O-N 3.39Å; L1916-L1919 WeakPolarHBondContact O-CB 3.23Å; L1916-L1919 PolarHBondContact O-N 3.24Å; L1916-V1920 WeakPolarHBondContact O-CG2 3.35Å; L1916-V1920 PolarHBondContact O-N 3.14Å; L1916-A1954 HydrophobicContact CB-CB 4.47Å; L1916-A1954 HydrophobicContact CD2-CB 3.96Å; L1916-R1957 HydrophobicContact CD1-CB 3.71Å; L1916-L1958 HydrophobicContact CB-CD1 3.71Å; L1916-L1958 HydrophobicContact CB-CD2 3.72Å; L1916-L1958 HydrophobicContact CB-CG 3.57Å; L1916-L1958 HydrophobicContact CD1-CD2 4.05Å; L1916-L1958 HydrophobicContact CD1-CG 3.95Å; L1916-L1958 HydrophobicContact CG-CD2 4.5Å; L1916-L1958 HydrophobicContact CG-CG 4.43Å |
| 1917 | H | 91.5 | Very high | 89.4 | Confident | 116.8 Ų | 116.8 | 33.1 Ų | 33.1 | 54% | 0.541 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.1 | -43.2 | -179.9 | -172.1 | 14.2 | 0 | 0 | 0 | 111.4 | R1915 L1919 V1920 E1921 L1958 | R1915-H1917 VanDerWaalsContact C-N 3.29Å; R1915-H1917 PolarHBondContact O-N 3.02Å; R1915-H1917 VanDerWaalsContact O-N 3.16Å; H1917-L1919 VanDerWaalsContact C-N 3.31Å; H1917-L1919 PolarHBondContact O-N 3.27Å; H1917-V1920 PolarHBondContact O-N 3.09Å; H1917-E1921 IonicContact CE1-OE1 3.78Å; H1917-E1921 IonicContact NE2-OE1 2.99Å; H1917-E1921 PolarHBondContact NE2-OE1 3.23Å; H1917-E1921 PolarHBondContact O-N 3.05Å; H1917-E1921 VanDerWaalsContact O-N 3.14Å; H1917-L1958 HydrophobicContact CB-CD1 4.42Å |
| 1918 | G | 91.1 | Very high | 89.1 | Confident | 37 Ų | 37 | 36 Ų | 36 | 38% | 0.381 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.2 | -39 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1915 L1916 R1922 | R1915-G1918 PolarHBondContact O-N 3.11Å; R1915-G1918 VanDerWaalsContact O-N 3.11Å; L1916-G1918 VanDerWaalsContact C-N 3.35Å; L1916-G1918 PolarHBondContact O-N 3.39Å; G1918-R1922 WeakPolarHBondContact O-CB 3.34Å; G1918-R1922 PolarHBondContact O-N 3.13Å |
| 1919 | L | 91.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -50.1 | 175.1 | -173.8 | 167.8 | 0 | 0 | 0 | 111.3 | F1906 E1909 L1910 R1915 L1916 H1917 E1921 R1922 A1923 A1954 | F1906-L1919 HydrophobicContact CB-CD1 3.99Å; F1906-L1919 HydrophobicContact CB-CG 4.26Å; F1906-L1919 HydrophobicContact CD1-CB 4.45Å; F1906-L1919 HydrophobicContact CD1-CD1 4.1Å; F1906-L1919 HydrophobicContact CD1-CD2 4.37Å; F1906-L1919 HydrophobicContact CD1-CG 3.58Å; F1906-L1919 HydrophobicContact CE1-CG 4.06Å; F1906-L1919 HydrophobicContact CG-CD1 4.29Å; F1906-L1919 HydrophobicContact CG-CD2 4.4Å; F1906-L1919 HydrophobicContact CG-CG 4Å; E1909-L1919 HydrophobicContact CB-CD1 4.13Å; L1910-L1919 HydrophobicContact CD2-CD1 4.15Å; L1910-L1919 HydrophobicContact CG-CD1 4.08Å; R1915-L1919 PolarHBondContact O-N 3.3Å; L1916-L1919 WeakPolarHBondContact O-CB 3.23Å; L1916-L1919 PolarHBondContact O-N 3.24Å; H1917-L1919 VanDerWaalsContact C-N 3.31Å; H1917-L1919 PolarHBondContact O-N 3.27Å; L1919-E1921 VanDerWaalsContact C-N 3.33Å; L1919-E1921 PolarHBondContact O-N 3.13Å; L1919-R1922 PolarHBondContact O-N 3.19Å; L1919-A1923 HydrophobicContact CD2-CB 4.39Å; L1919-A1923 VanDerWaalsContact O-CB 3.23Å; L1919-A1923 WeakPolarHBondContact O-CB 3.35Å; L1919-A1923 PolarHBondContact O-N 3.38Å; L1919-A1954 HydrophobicContact CB-CB 4.5Å; L1919-A1954 HydrophobicContact CD1-CB 4.26Å; L1919-A1954 HydrophobicContact CD2-CB 3.59Å; L1919-A1954 HydrophobicContact CG-CB 4.34Å |
| 1920 | V | 91.6 | Very high | 87.5 | Confident | 3.8 Ų | 3.8 | 42.1 Ų | 42.1 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.3 | -46.3 | -179.8 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | L1916 H1917 G1924 R1951 A1954 A1955 L1958 T1963 | L1916-V1920 WeakPolarHBondContact O-CG2 3.35Å; L1916-V1920 PolarHBondContact O-N 3.14Å; H1917-V1920 PolarHBondContact O-N 3.09Å; V1920-G1924 PolarHBondContact O-N 3.08Å; V1920-R1951 HydrophobicContact CG1-CG 4.32Å; V1920-A1954 HydrophobicContact CG2-CB 3.57Å; V1920-A1955 HydrophobicContact CG2-CB 4.49Å; V1920-L1958 HydrophobicContact CG2-CD1 4.08Å; V1920-T1963 HydrophobicContact CG1-CG2 3.96Å |
| 1921 | E | 91.4 | Very high | 86.4 | Confident | 100.6 Ų | 100.6 | 46.6 Ų | 46.6 | 47% | 0.47 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.1 | -45.9 | 179.2 | -71.7 | -96.8 | 145.1 | 0 | 0 | 112.3 | H1917 L1919 G1924 A1925 R1928 | H1917-E1921 IonicContact CE1-OE1 3.78Å; H1917-E1921 IonicContact NE2-OE1 2.99Å; H1917-E1921 PolarHBondContact NE2-OE1 3.23Å; H1917-E1921 PolarHBondContact O-N 3.05Å; H1917-E1921 VanDerWaalsContact O-N 3.14Å; L1919-E1921 VanDerWaalsContact C-N 3.33Å; L1919-E1921 PolarHBondContact O-N 3.13Å; E1921-G1924 PolarHBondContact O-N 3.15Å; E1921-A1925 WeakPolarHBondContact O-CB 3.32Å; E1921-A1925 PolarHBondContact O-N 3.03Å; E1921-R1928 IonicContact OE2-NH2 3.4Å |
| 1922 | R | 90.4 | Very high | 84.8 | Confident | 87.8 Ų | 87.8 | 50.6 Ų | 50.6 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | -179.6 | -167.8 | -174.1 | -69.6 | 156.5 | -20.5 | 110.9 | E1871 F1906 E1909 G1918 L1919 G1924 A1925 L1926 | E1871-R1922 IonicContact OE1-CZ 3.43Å; E1871-R1922 IonicContact OE1-NH1 3.27Å; E1871-R1922 PolarHBondContact OE1-NH1 3.06Å; E1871-R1922 IonicContact OE1-NH2 3.3Å; E1871-R1922 PolarHBondContact OE1-NH2 3.43Å; F1906-R1922 HydrophobicContact CE1-CB 4.35Å; F1906-R1922 HydrophobicContact CE1-CG 4.35Å; F1906-R1922 HydrophobicContact CZ-CB 4.33Å; F1906-R1922 HydrophobicContact CZ-CG 4.2Å; E1909-R1922 IonicContact OE1-CZ 3.77Å; E1909-R1922 IonicContact OE1-NH1 3.71Å; E1909-R1922 PolarHBondContact OE1-NH1 2.97Å; E1909-R1922 IonicContact OE1-NH2 2.86Å; E1909-R1922 IonicContact OE2-NH1 3.56Å; E1909-R1922 PolarHBondContact OE2-NH1 3.12Å; E1909-R1922 VanDerWaalsContact OE2-NH1 3.13Å; G1918-R1922 WeakPolarHBondContact O-CB 3.34Å; G1918-R1922 PolarHBondContact O-N 3.13Å; L1919-R1922 PolarHBondContact O-N 3.19Å; R1922-G1924 PolarHBondContact O-N 3.36Å; R1922-A1925 PolarHBondContact O-N 3.29Å; R1922-L1926 WeakPolarHBondContact O-CG 3.4Å; R1922-L1926 PolarHBondContact O-N 3.07Å; R1922-L1926 VanDerWaalsContact O-N 3.12Å |
| 1923 | A | 88.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1906 L1919 A1925 L1926 V1927 R1951 | F1906-A1923 HydrophobicContact CE2-CB 3.91Å; F1906-A1923 HydrophobicContact CZ-CB 4.01Å; L1919-A1923 HydrophobicContact CD2-CB 4.39Å; L1919-A1923 VanDerWaalsContact O-CB 3.23Å; L1919-A1923 WeakPolarHBondContact O-CB 3.35Å; L1919-A1923 PolarHBondContact O-N 3.38Å; A1923-A1925 VanDerWaalsContact C-N 3.35Å; A1923-A1925 PolarHBondContact O-N 3.15Å; A1923-L1926 PolarHBondContact O-N 3.18Å; A1923-V1927 WeakPolarHBondContact O-CB 3.38Å; A1923-V1927 VanDerWaalsContact O-CG2 3.31Å; A1923-V1927 WeakPolarHBondContact O-CG2 3.38Å; A1923-V1927 PolarHBondContact O-N 3.05Å; A1923-R1951 HydrophobicContact CB-CB 3.99Å; A1923-R1951 HydrophobicContact CB-CG 4.37Å |
| 1924 | G | 87.4 | Confident | 80.9 | Confident | 0.6 Ų | 0.6 | 58 Ų | 58 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1920 E1921 R1922 R1928 | V1920-G1924 PolarHBondContact O-N 3.08Å; E1921-G1924 PolarHBondContact O-N 3.15Å; R1922-G1924 PolarHBondContact O-N 3.36Å; G1924-R1928 WeakPolarHBondContact O-CB 3.46Å; G1924-R1928 WeakPolarHBondContact O-CG 3.43Å; G1924-R1928 PolarHBondContact O-N 3.02Å; G1924-R1928 PolarHBondContact O-NE 3.32Å; G1924-R1928 VanDerWaalsContact O-NE 3.13Å |
| 1925 | A | 86.6 | Confident | 78.9 | Confident | 47.8 Ų | 47.8 | 62.4 Ų | 62.4 | 40% | 0.395 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1921 R1922 A1923 R1928 K1929 | E1921-A1925 WeakPolarHBondContact O-CB 3.32Å; E1921-A1925 PolarHBondContact O-N 3.03Å; R1922-A1925 PolarHBondContact O-N 3.29Å; A1923-A1925 VanDerWaalsContact C-N 3.35Å; A1923-A1925 PolarHBondContact O-N 3.15Å; A1925-R1928 PolarHBondContact O-N 3.13Å; A1925-K1929 WeakPolarHBondContact O-CB 3.41Å; A1925-K1929 PolarHBondContact O-N 3.2Å |
| 1926 | L | 84.6 | Confident | 76.7 | Confident | 20.6 Ų | 20.6 | 64.3 Ų | 64.3 | 11% | 0.108 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.4 | -69.6 | 170.7 | 0 | 0 | 0 | 112 | Y1902 F1906 R1922 A1923 R1928 K1929 S1930 L1947 | Y1902-L1926 HydrophobicContact CD1-CD1 3.77Å; Y1902-L1926 HydrophobicContact CD2-CD1 3.92Å; Y1902-L1926 HydrophobicContact CE1-CD1 3.84Å; Y1902-L1926 HydrophobicContact CE2-CD1 3.98Å; Y1902-L1926 HydrophobicContact CE2-CD2 4.08Å; Y1902-L1926 HydrophobicContact CG-CD1 3.83Å; F1906-L1926 HydrophobicContact CE2-CD1 4.37Å; F1906-L1926 HydrophobicContact CZ-CD1 4.26Å; R1922-L1926 WeakPolarHBondContact O-CG 3.4Å; R1922-L1926 PolarHBondContact O-N 3.07Å; R1922-L1926 VanDerWaalsContact O-N 3.12Å; A1923-L1926 PolarHBondContact O-N 3.18Å; L1926-R1928 VanDerWaalsContact C-N 3.33Å; L1926-R1928 PolarHBondContact O-N 3.21Å; L1926-K1929 WeakPolarHBondContact O-CB 3.43Å; L1926-K1929 PolarHBondContact O-N 3.12Å; L1926-S1930 PolarHBondContact O-N 3.21Å; L1926-S1930 PolarHBondContact O-OG 2.97Å; L1926-L1947 HydrophobicContact CB-CD1 3.85Å; L1926-L1947 HydrophobicContact CD1-CD1 4.34Å; L1926-L1947 HydrophobicContact CD1-CD2 4.39Å; L1926-L1947 HydrophobicContact CG-CD1 4.43Å |
| 1927 | V | 82.3 | Confident | 74.1 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.6 | -39 | 175.6 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | A1923 S1930 K1931 V1944 L1947 M1970 | A1923-V1927 WeakPolarHBondContact O-CB 3.38Å; A1923-V1927 VanDerWaalsContact O-CG2 3.31Å; A1923-V1927 WeakPolarHBondContact O-CG2 3.38Å; A1923-V1927 PolarHBondContact O-N 3.05Å; V1927-S1930 PolarHBondContact O-N 2.93Å; V1927-S1930 PolarHBondContact O-OG 2.88Å; V1927-K1931 HydrophobicContact CG1-CD 4.48Å; V1927-K1931 WeakPolarHBondContact O-CG 3.35Å; V1927-K1931 PolarHBondContact O-N 3.38Å; V1927-K1931 VanDerWaalsContact O-N 3.16Å; V1927-V1944 HydrophobicContact CG1-CG1 4.11Å; V1927-V1944 HydrophobicContact CG1-CG2 4.38Å; V1927-V1944 HydrophobicContact CG2-CG1 4.35Å; V1927-L1947 HydrophobicContact CG2-CB 3.83Å; V1927-L1947 HydrophobicContact CG2-CD1 4.31Å; V1927-M1970 HydrophobicContact CG1-CE 3.49Å; V1927-M1970 VanDerWaalsContact CG1-CE 3.43Å |
| 1928 | R | 82.2 | Confident | 72 | Confident | 149 Ų | 149 | 67.5 Ų | 67.5 | 56% | 0.562 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.5 | -39.9 | 174.4 | -75.4 | -178.6 | -98.8 | 139.5 | -5.7 | 111.8 | E1921 G1924 A1925 L1926 S1930 K1931 S1932 | E1921-R1928 IonicContact OE2-NH2 3.4Å; G1924-R1928 WeakPolarHBondContact O-CB 3.46Å; G1924-R1928 WeakPolarHBondContact O-CG 3.43Å; G1924-R1928 PolarHBondContact O-N 3.02Å; G1924-R1928 PolarHBondContact O-NE 3.32Å; G1924-R1928 VanDerWaalsContact O-NE 3.13Å; A1925-R1928 PolarHBondContact O-N 3.13Å; L1926-R1928 VanDerWaalsContact C-N 3.33Å; L1926-R1928 PolarHBondContact O-N 3.21Å; R1928-S1930 VanDerWaalsContact C-N 3.33Å; R1928-S1930 PolarHBondContact O-N 2.73Å; R1928-K1931 PolarHBondContact O-N 3.22Å; R1928-S1932 PolarHBondContact O-N 2.97Å; R1928-S1932 VanDerWaalsContact O-N 3.09Å; R1928-S1932 PolarHBondContact O-OG 2.69Å |
| 1929 | K | 76.6 | Confident | 70 | Confident | 130.6 Ų | 130.6 | 69.1 Ų | 69.1 | 57% | 0.568 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.1 | -40.7 | 177.9 | -171.9 | -178.8 | 178.1 | -173.4 | 0 | 111.9 | A1925 L1926 S1932 H1933 | A1925-K1929 WeakPolarHBondContact O-CB 3.41Å; A1925-K1929 PolarHBondContact O-N 3.2Å; L1926-K1929 WeakPolarHBondContact O-CB 3.43Å; L1926-K1929 PolarHBondContact O-N 3.12Å; K1929-S1932 PolarHBondContact O-N 3.14Å; K1929-S1932 PolarHBondContact O-OG 3.35Å; K1929-H1933 PolarHBondContact O-ND1 3.15Å |
| 1930 | S | 70.7 | Confident | 68.2 | Low | 11.8 Ų | 11.8 | 70.4 Ų | 70.4 | 8% | 0.083 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 178.1 | 64.5 | 0 | 0 | 0 | 0 | 112 | L1926 V1927 R1928 S1932 H1933 S1934 S1940 V1944 | L1926-S1930 PolarHBondContact O-N 3.21Å; L1926-S1930 PolarHBondContact O-OG 2.97Å; V1927-S1930 PolarHBondContact O-N 2.93Å; V1927-S1930 PolarHBondContact O-OG 2.88Å; R1928-S1930 VanDerWaalsContact C-N 3.33Å; R1928-S1930 PolarHBondContact O-N 2.73Å; S1930-S1932 VanDerWaalsContact C-N 3.3Å; S1930-S1932 PolarHBondContact O-N 3.25Å; S1930-H1933 PolarHBondContact O-N 3.13Å; S1930-S1934 PolarHBondContact O-N 2.94Å; S1930-S1934 VanDerWaalsContact O-N 3.12Å; S1930-S1940 PolarHBondContact O-OG 3.09Å; S1930-S1940 VanDerWaalsContact O-OG 3.13Å; S1930-V1944 WeakPolarHBondContact OG-CG2 3.34Å |
| 1931 | K | 67.5 | Low | 67 | Low | 106.6 Ų | 106.6 | 73.6 Ų | 73.6 | 46% | 0.463 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58 | -38.8 | 174.9 | -74.5 | -177.6 | 176 | -170.6 | 0 | 113.3 | V1927 R1928 H1933 S1934 V1944 M1970 | V1927-K1931 HydrophobicContact CG1-CD 4.48Å; V1927-K1931 WeakPolarHBondContact O-CG 3.35Å; V1927-K1931 PolarHBondContact O-N 3.38Å; V1927-K1931 VanDerWaalsContact O-N 3.16Å; R1928-K1931 PolarHBondContact O-N 3.22Å; K1931-H1933 VanDerWaalsContact C-N 3.34Å; K1931-H1933 PolarHBondContact O-N 2.96Å; K1931-S1934 WeakPolarHBondContact O-CB 3.39Å; K1931-S1934 PolarHBondContact O-N 3.28Å; K1931-V1944 HydrophobicContact CG-CG2 4.32Å; K1931-M1970 HydrophobicContact CD-CE 4.25Å; K1931-M1970 WeakPolarHBondContact CE-SD 3.4Å; K1931-M1970 PolarHBondContact NZ-SD 3.21Å |
| 1932 | S | 56.6 | Low | 65.7 | Low | 95.8 Ų | 95.8 | 71.5 Ų | 71.5 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.6 | -19.5 | 179.2 | 171.7 | 0 | 0 | 0 | 0 | 113.8 | R1928 K1929 S1930 | R1928-S1932 PolarHBondContact O-N 2.97Å; R1928-S1932 VanDerWaalsContact O-N 3.09Å; R1928-S1932 PolarHBondContact O-OG 2.69Å; K1929-S1932 PolarHBondContact O-N 3.14Å; K1929-S1932 PolarHBondContact O-OG 3.35Å; S1930-S1932 VanDerWaalsContact C-N 3.3Å; S1930-S1932 PolarHBondContact O-N 3.25Å |
| 1933 | H | 50.4 | Low | 64.8 | Low | 98.8 Ų | 98.8 | 69 Ų | 69 | 46% | 0.457 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 7 | -178.4 | -69.4 | 73.6 | 0 | 0 | 0 | 113.1 | K1929 S1930 K1931 N1935 T1936 F1937 | K1929-H1933 PolarHBondContact O-ND1 3.15Å; S1930-H1933 PolarHBondContact O-N 3.13Å; K1931-H1933 VanDerWaalsContact C-N 3.34Å; K1931-H1933 PolarHBondContact O-N 2.96Å; H1933-N1935 PolarHBondContact O-N 3.27Å; H1933-N1935 VanDerWaalsContact O-N 3.13Å; H1933-T1936 PolarHBondContact O-N 3.05Å; H1933-T1936 PolarHBondContact O-OG1 3.32Å; H1933-F1937 HydrophobicContact CB-CD2 3.77Å; H1933-F1937 HydrophobicContact CB-CE2 3.8Å |
| 1934 | S | 46.9 | Very low | 64.3 | Low | 71.2 Ų | 71.2 | 69.6 Ų | 69.6 | 50% | 0.498 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -11.2 | -174.3 | -179.6 | 0 | 0 | 0 | 0 | 115.7 | S1930 K1931 T1936 | S1930-S1934 PolarHBondContact O-N 2.94Å; S1930-S1934 VanDerWaalsContact O-N 3.12Å; K1931-S1934 WeakPolarHBondContact O-CB 3.39Å; K1931-S1934 PolarHBondContact O-N 3.28Å; S1934-T1936 PolarHBondContact O-N 3.23Å; S1934-T1936 VanDerWaalsContact O-N 3.13Å |
| 1935 | N | 46.5 | Very low | 63.7 | Low | 160.6 Ų | 160.6 | 71.6 Ų | 71.6 | 86% | 0.859 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1 | -179.7 | -75.4 | -1.2 | 0 | 0 | 0 | 114.5 | H1933 | H1933-N1935 PolarHBondContact O-N 3.27Å; H1933-N1935 VanDerWaalsContact O-N 3.13Å |
| 1936 | T | 43.7 | Very low | 63.3 | Low | 103.6 Ų | 103.6 | 70.1 Ų | 70.1 | 64% | 0.636 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -134.5 | 3 | -175.6 | 27.1 | 0 | 0 | 0 | 0 | 116.1 | K1891 H1933 S1934 | K1891-T1936 PolarHBondContact NZ-O 3.22Å; H1933-T1936 PolarHBondContact O-N 3.05Å; H1933-T1936 PolarHBondContact O-OG1 3.32Å; S1934-T1936 PolarHBondContact O-N 3.23Å; S1934-T1936 VanDerWaalsContact O-N 3.13Å |
| 1937 | F | 38.4 | Very low | 63.2 | Low | 118.2 Ų | 118.2 | 69.2 Ų | 69.2 | 52% | 0.518 | 38% | 0.382 | S | S | . | . | trans | -143.5 | 119.9 | 178.9 | -77.9 | -84 | 0 | 0 | 0 | 113.6 | K1891 E1892 D1895 H1933 N1939 S1940 | K1891-F1937 HydrophobicContact CD-CZ 4.5Å; E1892-F1937 WeakPolarHBondContact OE1-CD1 3.4Å; E1892-F1937 WeakPolarHBondContact OE1-CE1 3.39Å; E1892-F1937 WeakPolarHBondContact OE1-CG 3.23Å; D1895-F1937 HydrophobicContact CB-CD1 4.45Å; D1895-F1937 HydrophobicContact CB-CE1 4.49Å; D1895-F1937 VanDerWaalsContact CG-CE1 3.49Å; D1895-F1937 WeakPolarHBondContact OD2-CD1 3.34Å; D1895-F1937 WeakPolarHBondContact OD2-CE1 3.31Å; H1933-F1937 HydrophobicContact CB-CD2 3.77Å; H1933-F1937 HydrophobicContact CB-CE2 3.8Å; F1937-N1939 VanDerWaalsContact C-N 3.3Å; F1937-N1939 PolarHBondContact O-N 3.21Å; F1937-N1939 VanDerWaalsContact O-N 3.12Å; F1937-S1940 PolarHBondContact O-N 2.63Å | ||
| 1938 | G | 46.6 | Very low | 63.4 | Low | 69.6 Ų | 69.6 | 69.2 Ų | 69.2 | 72% | 0.718 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -27.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | S1940 | G1938-S1940 PolarHBondContact O-N 3.03Å; G1938-S1940 VanDerWaalsContact O-N 3.17Å |
| 1939 | N | 48.9 | Very low | 63.6 | Low | 70.6 Ų | 70.6 | 62.7 Ų | 62.7 | 38% | 0.378 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 8 | -173.9 | -73.7 | -10.9 | 0 | 0 | 0 | 114.5 | F1937 S1941 V1942 | F1937-N1939 VanDerWaalsContact C-N 3.3Å; F1937-N1939 PolarHBondContact O-N 3.21Å; F1937-N1939 VanDerWaalsContact O-N 3.12Å; N1939-S1941 VanDerWaalsContact C-N 3.29Å; N1939-S1941 PolarHBondContact O-N 3.19Å; N1939-V1942 HydrophobicContact CB-CB 4.43Å; N1939-V1942 HydrophobicContact CB-CG2 4.23Å; N1939-V1942 PolarHBondContact O-N 3.16Å |
| 1940 | S | 54.4 | Low | 64.2 | Low | 27.6 Ų | 27.6 | 57.6 Ų | 57.6 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -18.7 | -177.8 | -170.7 | 0 | 0 | 0 | 0 | 114 | S1930 F1937 G1938 W1943 V1944 | S1930-S1940 PolarHBondContact O-OG 3.09Å; S1930-S1940 VanDerWaalsContact O-OG 3.13Å; F1937-S1940 PolarHBondContact O-N 2.63Å; G1938-S1940 PolarHBondContact O-N 3.03Å; G1938-S1940 VanDerWaalsContact O-N 3.17Å; S1940-W1943 PolarHBondContact O-NE1 3.32Å; S1940-W1943 PolarHBondContact OG-NE1 3.47Å; S1940-W1943 VanDerWaalsContact OG-NE1 3.15Å; S1940-V1944 WeakPolarHBondContact O-CG2 3.34Å; S1940-V1944 PolarHBondContact O-N 3.08Å |
| 1941 | S | 65.8 | Low | 65.2 | Low | 71 Ų | 71 | 57.9 Ų | 57.9 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.1 | -47.3 | 179.2 | 110.4 | 0 | 0 | 0 | 0 | 112.4 | N1939 W1943 V1944 D1945 | N1939-S1941 VanDerWaalsContact C-N 3.29Å; N1939-S1941 PolarHBondContact O-N 3.19Å; S1941-W1943 VanDerWaalsContact C-N 3.29Å; S1941-W1943 PolarHBondContact O-N 3.05Å; S1941-V1944 WeakPolarHBondContact O-CA 3.33Å; S1941-V1944 WeakPolarHBondContact O-CB 3.39Å; S1941-V1944 PolarHBondContact O-N 3.15Å; S1941-D1945 VanDerWaalsContact O-CG 3.26Å; S1941-D1945 PolarHBondContact O-N 3.24Å; S1941-D1945 VanDerWaalsContact O-OD2 3.12Å; S1941-D1945 PolarHBondContact OG-OD2 2.91Å |
| 1942 | V | 65.5 | Low | 66.2 | Low | 56.8 Ų | 56.8 | 52.9 Ų | 52.9 | 34% | 0.344 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59 | -42 | -174.1 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | L1899 N1939 V1944 D1945 C1946 | L1899-V1942 HydrophobicContact CD2-CG1 4.14Å; N1939-V1942 HydrophobicContact CB-CB 4.43Å; N1939-V1942 HydrophobicContact CB-CG2 4.23Å; N1939-V1942 PolarHBondContact O-N 3.16Å; V1942-V1944 VanDerWaalsContact C-N 3.31Å; V1942-V1944 PolarHBondContact O-N 3.3Å; V1942-D1945 PolarHBondContact O-N 3.04Å; V1942-C1946 VanDerWaalsContact O-CB 3.26Å; V1942-C1946 WeakPolarHBondContact O-CB 3.24Å; V1942-C1946 PolarHBondContact O-N 3.03Å; V1942-C1946 VanDerWaalsContact O-N 3.1Å |
| 1943 | W | 71 | Confident | 67.9 | Low | 35 Ų | 35 | 49.9 Ų | 49.9 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 174.6 | -97.6 | 57.7 | 0 | 0 | 0 | 112.2 | D1895 H1898 L1899 Y1902 S1940 S1941 D1945 L1947 | D1895-W1943 HydrophobicContact CB-CZ2 4.16Å; D1895-W1943 WeakPolarHBondContact O-CZ2 3.31Å; D1895-W1943 PolarHBondContact O-NE1 3.08Å; H1898-W1943 HydrophobicContact CB-CH2 4.06Å; H1898-W1943 HydrophobicContact CB-CZ2 4.12Å; L1899-W1943 HydrophobicContact CB-CB 4.34Å; L1899-W1943 HydrophobicContact CB-CD2 4.23Å; L1899-W1943 VanDerWaalsContact CB-CE2 3.46Å; L1899-W1943 HydrophobicContact CB-CG 4.46Å; L1899-W1943 HydrophobicContact CB-CZ2 3.89Å; L1899-W1943 HydrophobicContact CD1-CB 4.31Å; L1899-W1943 HydrophobicContact CD1-CD2 3.82Å; L1899-W1943 HydrophobicContact CD1-CE3 4.12Å; L1899-W1943 HydrophobicContact CD1-CG 3.98Å; L1899-W1943 HydrophobicContact CD1-CZ2 4.27Å; L1899-W1943 HydrophobicContact CD2-CB 3.76Å; L1899-W1943 HydrophobicContact CD2-CD2 4.39Å; L1899-W1943 HydrophobicContact CD2-CG 4.14Å; L1899-W1943 HydrophobicContact CG-CB 4.18Å; L1899-W1943 HydrophobicContact CG-CD2 4.39Å; L1899-W1943 HydrophobicContact CG-CG 4.33Å; L1899-W1943 VanDerWaalsContact N-CZ2 3.3Å; Y1902-W1943 HydrophobicContact CD2-CH2 4.27Å; Y1902-W1943 HydrophobicContact CD2-CZ3 4.29Å; Y1902-W1943 HydrophobicContact CE2-CH2 4.35Å; S1940-W1943 PolarHBondContact O-NE1 3.32Å; S1940-W1943 PolarHBondContact OG-NE1 3.47Å; S1940-W1943 VanDerWaalsContact OG-NE1 3.15Å; S1941-W1943 VanDerWaalsContact C-N 3.29Å; S1941-W1943 PolarHBondContact O-N 3.05Å; W1943-D1945 VanDerWaalsContact C-N 3.31Å; W1943-D1945 PolarHBondContact O-N 3.25Å; W1943-L1947 HydrophobicContact CE3-CD1 3.78Å; W1943-L1947 HydrophobicContact CZ3-CD1 4.13Å; W1943-L1947 VanDerWaalsContact O-CB 3.28Å; W1943-L1947 WeakPolarHBondContact O-CB 3.36Å; W1943-L1947 WeakPolarHBondContact O-CD1 3.38Å; W1943-L1947 VanDerWaalsContact O-CG 3.27Å; W1943-L1947 WeakPolarHBondContact O-CG 3.32Å; W1943-L1947 PolarHBondContact O-N 3.33Å; W1943-L1947 VanDerWaalsContact O-N 3.13Å |
| 1944 | V | 77.2 | Confident | 70 | Confident | 12.2 Ų | 12.2 | 45.2 Ų | 45.2 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 179.6 | 172.7 | 0 | 0 | 0 | 0 | 109.9 | V1927 S1930 K1931 S1940 S1941 V1942 L1947 N1948 M1970 | V1927-V1944 HydrophobicContact CG1-CG1 4.11Å; V1927-V1944 HydrophobicContact CG1-CG2 4.38Å; V1927-V1944 HydrophobicContact CG2-CG1 4.35Å; S1930-V1944 WeakPolarHBondContact OG-CG2 3.34Å; K1931-V1944 HydrophobicContact CG-CG2 4.32Å; S1940-V1944 WeakPolarHBondContact O-CG2 3.34Å; S1940-V1944 PolarHBondContact O-N 3.08Å; S1941-V1944 WeakPolarHBondContact O-CA 3.33Å; S1941-V1944 WeakPolarHBondContact O-CB 3.39Å; S1941-V1944 PolarHBondContact O-N 3.15Å; V1942-V1944 VanDerWaalsContact C-N 3.31Å; V1942-V1944 PolarHBondContact O-N 3.3Å; V1944-L1947 PolarHBondContact O-N 3.04Å; V1944-N1948 WeakPolarHBondContact CG1-ND2 3.42Å; V1944-N1948 WeakPolarHBondContact O-CA 3.28Å; V1944-N1948 WeakPolarHBondContact O-CB 3.44Å; V1944-N1948 PolarHBondContact O-N 3.36Å; V1944-N1948 PolarHBondContact O-ND2 3.22Å; V1944-N1948 VanDerWaalsContact O-ND2 3.08Å; V1944-M1970 HydrophobicContact CG1-CE 3.99Å |
| 1945 | D | 76.4 | Confident | 72.2 | Confident | 43.4 Ų | 43.4 | 41.8 Ų | 41.8 | 23% | 0.232 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68 | -44.7 | -176 | -62.2 | -31.6 | 0 | 0 | 0 | 112 | S1941 V1942 W1943 N1948 A1949 N1971 | S1941-D1945 VanDerWaalsContact O-CG 3.26Å; S1941-D1945 PolarHBondContact O-N 3.24Å; S1941-D1945 VanDerWaalsContact O-OD2 3.12Å; S1941-D1945 PolarHBondContact OG-OD2 2.91Å; V1942-D1945 PolarHBondContact O-N 3.04Å; W1943-D1945 VanDerWaalsContact C-N 3.31Å; W1943-D1945 PolarHBondContact O-N 3.25Å; D1945-N1948 PolarHBondContact O-N 3.11Å; D1945-A1949 WeakPolarHBondContact O-CB 3.36Å; D1945-A1949 PolarHBondContact O-N 3.16Å; D1945-A1949 VanDerWaalsContact O-N 3.16Å; D1945-N1971 PolarHBondContact OD1-ND2 3.18Å; D1945-N1971 PolarHBondContact OD1-OD1 2.83Å; D1945-N1971 PolarHBondContact OD2-ND2 2.87Å |
| 1946 | C | 76.5 | Confident | 74.4 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 12% | 0.115 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.3 | -47.7 | 177.7 | -173.7 | 0 | 0 | 0 | 0 | 112 | G1604 L1899 V1942 N1948 A1949 H1950 | G1604-C1946 PolarHBondContact O-SG 3.45Å; G1604-C1946 VanDerWaalsContact O-SG 3.36Å; L1899-C1946 HydrophobicContact CD1-CB 4.27Å; L1899-C1946 HydrophobicContact CD2-CB 4.47Å; V1942-C1946 VanDerWaalsContact O-CB 3.26Å; V1942-C1946 WeakPolarHBondContact O-CB 3.24Å; V1942-C1946 PolarHBondContact O-N 3.03Å; V1942-C1946 VanDerWaalsContact O-N 3.1Å; C1946-N1948 VanDerWaalsContact C-N 3.33Å; C1946-N1948 PolarHBondContact O-N 3.09Å; C1946-A1949 WeakPolarHBondContact O-CB 3.29Å; C1946-A1949 PolarHBondContact O-N 3.29Å; C1946-H1950 PolarHBondContact O-CD2 3.29Å; C1946-H1950 VanDerWaalsContact O-CD2 3.29Å; C1946-H1950 PolarHBondContact O-N 3.14Å |
| 1947 | L | 83.8 | Confident | 76.7 | Confident | 0.6 Ų | 0.6 | 30.4 Ų | 30.4 | 0% | 0.003 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.9 | -35.7 | 178.5 | -65 | 175 | 0 | 0 | 0 | 112 | L1899 F1906 L1926 V1927 W1943 V1944 A1949 H1950 R1951 | L1899-L1947 HydrophobicContact CD1-CD1 4.19Å; L1899-L1947 HydrophobicContact CD1-CD2 4.07Å; L1899-L1947 HydrophobicContact CD1-CG 3.91Å; F1906-L1947 HydrophobicContact CD2-CD2 4.08Å; F1906-L1947 HydrophobicContact CE2-CD2 3.69Å; L1926-L1947 HydrophobicContact CB-CD1 3.85Å; L1926-L1947 HydrophobicContact CD1-CD1 4.34Å; L1926-L1947 HydrophobicContact CD1-CD2 4.39Å; L1926-L1947 HydrophobicContact CG-CD1 4.43Å; V1927-L1947 HydrophobicContact CG2-CB 3.83Å; V1927-L1947 HydrophobicContact CG2-CD1 4.31Å; W1943-L1947 HydrophobicContact CE3-CD1 3.78Å; W1943-L1947 HydrophobicContact CZ3-CD1 4.13Å; W1943-L1947 VanDerWaalsContact O-CB 3.28Å; W1943-L1947 WeakPolarHBondContact O-CB 3.36Å; W1943-L1947 WeakPolarHBondContact O-CD1 3.38Å; W1943-L1947 VanDerWaalsContact O-CG 3.27Å; W1943-L1947 WeakPolarHBondContact O-CG 3.32Å; W1943-L1947 PolarHBondContact O-N 3.33Å; W1943-L1947 VanDerWaalsContact O-N 3.13Å; V1944-L1947 PolarHBondContact O-N 3.04Å; L1947-A1949 VanDerWaalsContact C-N 3.3Å; L1947-A1949 PolarHBondContact O-N 3.06Å; L1947-H1950 PolarHBondContact O-N 3.07Å; L1947-R1951 WeakPolarHBondContact O-CB 3.38Å; L1947-R1951 PolarHBondContact O-N 3.07Å |
| 1948 | N | 86.5 | Confident | 79.2 | Confident | 2.8 Ų | 2.8 | 27.4 Ų | 27.4 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -31.5 | 175.5 | -154.3 | 38.7 | 0 | 0 | 0 | 111.8 | V1944 D1945 C1946 R1951 A1952 T1967 | V1944-N1948 WeakPolarHBondContact CG1-ND2 3.42Å; V1944-N1948 WeakPolarHBondContact O-CA 3.28Å; V1944-N1948 WeakPolarHBondContact O-CB 3.44Å; V1944-N1948 PolarHBondContact O-N 3.36Å; V1944-N1948 PolarHBondContact O-ND2 3.22Å; V1944-N1948 VanDerWaalsContact O-ND2 3.08Å; D1945-N1948 PolarHBondContact O-N 3.11Å; C1946-N1948 VanDerWaalsContact C-N 3.33Å; C1946-N1948 PolarHBondContact O-N 3.09Å; N1948-R1951 PolarHBondContact O-N 3.1Å; N1948-A1952 VanDerWaalsContact O-CB 3.27Å; N1948-A1952 WeakPolarHBondContact O-CB 3.38Å; N1948-A1952 PolarHBondContact O-N 3.15Å; N1948-T1967 PolarHBondContact ND2-O 3.15Å; N1948-T1967 WeakPolarHBondContact OD1-CA 3.3Å; N1948-T1967 VanDerWaalsContact OD1-CB 3.26Å; N1948-T1967 WeakPolarHBondContact OD1-CB 3.37Å; N1948-T1967 VanDerWaalsContact OD1-CG2 3.31Å; N1948-T1967 WeakPolarHBondContact OD1-CG2 3.4Å |
| 1949 | A | 86.3 | Confident | 81.2 | Confident | 13 Ų | 13 | 24.8 Ų | 24.8 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1945 C1946 L1947 R1951 A1952 E1953 S1976 S1978 | D1945-A1949 WeakPolarHBondContact O-CB 3.36Å; D1945-A1949 PolarHBondContact O-N 3.16Å; D1945-A1949 VanDerWaalsContact O-N 3.16Å; C1946-A1949 WeakPolarHBondContact O-CB 3.29Å; C1946-A1949 PolarHBondContact O-N 3.29Å; L1947-A1949 VanDerWaalsContact C-N 3.3Å; L1947-A1949 PolarHBondContact O-N 3.06Å; A1949-R1951 PolarHBondContact O-N 2.79Å; A1949-A1952 PolarHBondContact O-N 3.22Å; A1949-E1953 WeakPolarHBondContact O-CB 3.35Å; A1949-E1953 PolarHBondContact O-N 3.14Å; A1949-E1953 VanDerWaalsContact O-N 3.09Å; A1949-S1976 WeakPolarHBondContact CB-OG 3.38Å; A1949-S1978 VanDerWaalsContact C-OG 3.27Å; A1949-S1978 VanDerWaalsContact CA-OG 3.25Å; A1949-S1978 WeakPolarHBondContact CA-OG 3.32Å; A1949-S1978 WeakPolarHBondContact CB-OG 3.41Å; A1949-S1978 VanDerWaalsContact O-CB 3.29Å; A1949-S1978 WeakPolarHBondContact O-CB 3.36Å; A1949-S1978 PolarHBondContact O-OG 3.15Å |
| 1950 | H | 88.6 | Confident | 83.2 | Confident | 22.8 Ų | 22.8 | 23.8 Ų | 23.8 | 11% | 0.106 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.3 | -39 | 175.8 | -66.2 | -47.9 | 0 | 0 | 0 | 112.3 | S1903 F1906 C1946 L1947 E1953 A1954 | S1903-H1950 PolarHBondContact OG-NE2 3.34Å; F1906-H1950 HydrophobicContact CB-CB 4.17Å; F1906-H1950 HydrophobicContact CD2-CB 4.27Å; C1946-H1950 PolarHBondContact O-CD2 3.29Å; C1946-H1950 VanDerWaalsContact O-CD2 3.29Å; C1946-H1950 PolarHBondContact O-N 3.14Å; L1947-H1950 PolarHBondContact O-N 3.07Å; H1950-E1953 PolarHBondContact O-N 3.1Å; H1950-A1954 PolarHBondContact O-N 3.19Å |
| 1951 | R | 91 | Very high | 84.9 | Confident | 19.4 Ų | 19.4 | 24.2 Ų | 24.2 | 7% | 0.073 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 175.9 | -172.2 | -178.6 | 174.5 | -146.2 | -4.3 | 111.5 | V1920 A1923 L1947 N1948 A1949 E1953 A1954 A1955 T1963 E1966 T1967 | V1920-R1951 HydrophobicContact CG1-CG 4.32Å; A1923-R1951 HydrophobicContact CB-CB 3.99Å; A1923-R1951 HydrophobicContact CB-CG 4.37Å; L1947-R1951 WeakPolarHBondContact O-CB 3.38Å; L1947-R1951 PolarHBondContact O-N 3.07Å; N1948-R1951 PolarHBondContact O-N 3.1Å; A1949-R1951 PolarHBondContact O-N 2.79Å; R1951-E1953 VanDerWaalsContact C-N 3.28Å; R1951-E1953 PolarHBondContact O-N 3.18Å; R1951-A1954 PolarHBondContact O-N 3.25Å; R1951-A1955 VanDerWaalsContact O-CB 3.3Å; R1951-A1955 WeakPolarHBondContact O-CB 3.36Å; R1951-A1955 PolarHBondContact O-N 3.1Å; R1951-T1963 HydrophobicContact CG-CG2 4.42Å; R1951-E1966 IonicContact CZ-OE2 3.43Å; R1951-E1966 IonicContact NH1-OE2 3.71Å; R1951-E1966 IonicContact NH2-OE2 3.24Å; R1951-E1966 PolarHBondContact NH2-OE2 3.11Å; R1951-T1967 HydrophobicContact CB-CG2 4.22Å; R1951-T1967 HydrophobicContact CG-CG2 3.78Å |
| 1952 | A | 90.3 | Very high | 86 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N1948 A1949 A1955 W1956 L1964 V1979 | N1948-A1952 VanDerWaalsContact O-CB 3.27Å; N1948-A1952 WeakPolarHBondContact O-CB 3.38Å; N1948-A1952 PolarHBondContact O-N 3.15Å; A1949-A1952 PolarHBondContact O-N 3.22Å; A1952-A1955 PolarHBondContact O-N 3.09Å; A1952-W1956 PolarHBondContact O-N 3.36Å; A1952-W1956 VanDerWaalsContact O-N 3.13Å; A1952-L1964 HydrophobicContact CB-CD1 4.26Å; A1952-L1964 WeakPolarHBondContact O-CD1 3.34Å; A1952-V1979 HydrophobicContact CB-CG2 3.91Å |
| 1953 | E | 91.6 | Very high | 87.1 | Confident | 34.2 Ų | 34.2 | 26.4 Ų | 26.4 | 16% | 0.16 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | 177.4 | -164.8 | 169.6 | 165.2 | 0 | 0 | 113.2 | L1910 A1949 H1950 R1951 A1955 W1956 R1957 S1978 | L1910-E1953 HydrophobicContact CD1-CG 4.31Å; L1910-E1953 HydrophobicContact CD2-CB 4.02Å; L1910-E1953 HydrophobicContact CD2-CG 3.87Å; A1949-E1953 WeakPolarHBondContact O-CB 3.35Å; A1949-E1953 PolarHBondContact O-N 3.14Å; A1949-E1953 VanDerWaalsContact O-N 3.09Å; H1950-E1953 PolarHBondContact O-N 3.1Å; R1951-E1953 VanDerWaalsContact C-N 3.28Å; R1951-E1953 PolarHBondContact O-N 3.18Å; E1953-A1955 VanDerWaalsContact C-N 3.33Å; E1953-A1955 PolarHBondContact O-N 3.04Å; E1953-W1956 VanDerWaalsContact CA-NE1 3.35Å; E1953-W1956 HydrophobicContact CB-CZ2 4.47Å; E1953-W1956 HydrophobicContact CG-CH2 4.45Å; E1953-W1956 HydrophobicContact CG-CZ2 3.55Å; E1953-W1956 VanDerWaalsContact CG-CZ2 3.49Å; E1953-R1957 WeakPolarHBondContact O-CB 3.34Å; E1953-R1957 VanDerWaalsContact O-CG 3.25Å; E1953-R1957 WeakPolarHBondContact O-CG 3.38Å; E1953-R1957 PolarHBondContact O-N 2.93Å; E1953-R1957 VanDerWaalsContact O-N 3.14Å; E1953-R1957 IonicContact OE1-CZ 3.56Å; E1953-R1957 VanDerWaalsContact OE1-CZ 3.27Å; E1953-R1957 IonicContact OE1-NE 3.52Å; E1953-R1957 PolarHBondContact OE1-NE 3.1Å; E1953-R1957 VanDerWaalsContact OE1-NE 3.14Å; E1953-R1957 IonicContact OE1-NH2 3.23Å; E1953-R1957 PolarHBondContact OE1-NH2 3.05Å; E1953-S1978 PolarHBondContact OE2-OG 3.27Å; E1953-S1978 VanDerWaalsContact OE2-OG 3.13Å |
| 1954 | A | 93.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1910 L1916 L1919 V1920 H1950 R1951 R1957 L1958 | L1910-A1954 HydrophobicContact CD2-CB 4.28Å; L1916-A1954 HydrophobicContact CB-CB 4.47Å; L1916-A1954 HydrophobicContact CD2-CB 3.96Å; L1919-A1954 HydrophobicContact CB-CB 4.5Å; L1919-A1954 HydrophobicContact CD1-CB 4.26Å; L1919-A1954 HydrophobicContact CD2-CB 3.59Å; L1919-A1954 HydrophobicContact CG-CB 4.34Å; V1920-A1954 HydrophobicContact CG2-CB 3.57Å; H1950-A1954 PolarHBondContact O-N 3.19Å; R1951-A1954 PolarHBondContact O-N 3.25Å; A1954-R1957 PolarHBondContact O-N 3.2Å; A1954-L1958 WeakPolarHBondContact O-CB 3.32Å; A1954-L1958 WeakPolarHBondContact O-CG 3.42Å; A1954-L1958 PolarHBondContact O-N 3.05Å |
| 1955 | A | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.1 | -47.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1920 R1951 A1952 E1953 R1957 L1958 G1959 D1960 T1963 L1964 | V1920-A1955 HydrophobicContact CG2-CB 4.49Å; R1951-A1955 VanDerWaalsContact O-CB 3.3Å; R1951-A1955 WeakPolarHBondContact O-CB 3.36Å; R1951-A1955 PolarHBondContact O-N 3.1Å; A1952-A1955 PolarHBondContact O-N 3.09Å; E1953-A1955 VanDerWaalsContact C-N 3.33Å; E1953-A1955 PolarHBondContact O-N 3.04Å; A1955-R1957 PolarHBondContact O-N 3.47Å; A1955-L1958 PolarHBondContact O-N 3.24Å; A1955-G1959 PolarHBondContact O-N 3.09Å; A1955-G1959 VanDerWaalsContact O-N 3.12Å; A1955-D1960 PolarHBondContact O-N 3.16Å; A1955-T1963 HydrophobicContact CB-CG2 4.09Å; A1955-T1963 WeakPolarHBondContact CB-OG1 3.35Å; A1955-L1964 HydrophobicContact CB-CB 4.23Å; A1955-L1964 HydrophobicContact CB-CD1 4.16Å |
| 1956 | W | 93.4 | Very high | 88.9 | Confident | 3.4 Ų | 3.4 | 31.1 Ų | 31.1 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71 | -30.8 | 177.4 | 68.1 | -113.3 | 0 | 0 | 0 | 112.6 | A1952 E1953 L1958 G1959 W1961 L1964 L1981 F1985 A2095 I2096 A2099 | A1952-W1956 PolarHBondContact O-N 3.36Å; A1952-W1956 VanDerWaalsContact O-N 3.13Å; E1953-W1956 VanDerWaalsContact CA-NE1 3.35Å; E1953-W1956 HydrophobicContact CB-CZ2 4.47Å; E1953-W1956 HydrophobicContact CG-CH2 4.45Å; E1953-W1956 HydrophobicContact CG-CZ2 3.55Å; E1953-W1956 VanDerWaalsContact CG-CZ2 3.49Å; W1956-L1958 VanDerWaalsContact C-N 3.3Å; W1956-L1958 PolarHBondContact O-N 3.23Å; W1956-G1959 PolarHBondContact O-N 3.09Å; W1956-W1961 HydrophobicContact CB-CZ3 4.49Å; W1956-L1964 HydrophobicContact CB-CD1 4.24Å; W1956-L1964 HydrophobicContact CB-CD2 3.98Å; W1956-L1981 HydrophobicContact CD2-CD2 4.43Å; W1956-L1981 HydrophobicContact CH2-CD2 4.3Å; W1956-L1981 HydrophobicContact CZ2-CD2 3.72Å; W1956-F1985 HydrophobicContact CB-CD2 3.98Å; W1956-F1985 HydrophobicContact CB-CE2 4.41Å; W1956-F1985 HydrophobicContact CD2-CD2 4.33Å; W1956-F1985 AromaticContact CD2-CE2 3.94Å; W1956-F1985 HydrophobicContact CD2-CE2 3.94Å; W1956-F1985 HydrophobicContact CE3-CD2 4.47Å; W1956-F1985 AromaticContact CE3-CE2 3.91Å; W1956-F1985 HydrophobicContact CE3-CE2 3.91Å; W1956-F1985 HydrophobicContact CG-CD2 4.07Å; W1956-F1985 HydrophobicContact CG-CE2 4.17Å; W1956-F1985 HydrophobicContact CZ3-CE2 4.42Å; W1956-A2095 HydrophobicContact CH2-CB 4.19Å; W1956-A2095 HydrophobicContact CZ3-CB 4.2Å; W1956-I2096 HydrophobicContact CH2-CG1 3.84Å; W1956-I2096 HydrophobicContact CZ2-CG1 4.36Å; W1956-I2096 HydrophobicContact CZ3-CG1 4.3Å; W1956-A2099 HydrophobicContact CE3-CB 3.83Å; W1956-A2099 HydrophobicContact CZ3-CB 4.19Å |
| 1957 | R | 92.7 | Very high | 89.1 | Confident | 20.6 Ų | 20.6 | 30.3 Ų | 30.3 | 8% | 0.078 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -33.2 | 173.4 | -74.3 | 177 | -177.8 | -131.2 | -4 | 112.5 | L1910 L1916 E1953 A1954 A1955 E2091 A2095 | L1910-R1957 VanDerWaalsContact C-NH1 3.33Å; L1910-R1957 PolarHBondContact O-NH1 3.14Å; L1916-R1957 HydrophobicContact CD1-CB 3.71Å; E1953-R1957 WeakPolarHBondContact O-CB 3.34Å; E1953-R1957 VanDerWaalsContact O-CG 3.25Å; E1953-R1957 WeakPolarHBondContact O-CG 3.38Å; E1953-R1957 PolarHBondContact O-N 2.93Å; E1953-R1957 VanDerWaalsContact O-N 3.14Å; E1953-R1957 IonicContact OE1-CZ 3.56Å; E1953-R1957 VanDerWaalsContact OE1-CZ 3.27Å; E1953-R1957 IonicContact OE1-NE 3.52Å; E1953-R1957 PolarHBondContact OE1-NE 3.1Å; E1953-R1957 VanDerWaalsContact OE1-NE 3.14Å; E1953-R1957 IonicContact OE1-NH2 3.23Å; E1953-R1957 PolarHBondContact OE1-NH2 3.05Å; A1954-R1957 PolarHBondContact O-N 3.2Å; A1955-R1957 PolarHBondContact O-N 3.47Å; R1957-E2091 IonicContact CZ-OE1 3.54Å; R1957-E2091 IonicContact CZ-OE2 3.13Å; R1957-E2091 VanDerWaalsContact NH1-CD 3.3Å; R1957-E2091 IonicContact NH1-OE1 3.42Å; R1957-E2091 PolarHBondContact NH1-OE1 3.07Å; R1957-E2091 IonicContact NH1-OE2 3.03Å; R1957-E2091 PolarHBondContact NH1-OE2 3.1Å; R1957-E2091 IonicContact NH2-OE2 3.49Å; R1957-E2091 PolarHBondContact NH2-OE2 3.35Å; R1957-A2095 HydrophobicContact CG-CB 4.46Å |
| 1958 | L | 89.8 | Confident | 88.9 | Confident | 54.4 Ų | 54.4 | 30.7 Ų | 30.7 | 29% | 0.285 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -79.6 | -21.9 | 175.1 | -78.5 | 170.6 | 0 | 0 | 0 | 113.6 | L1916 H1917 V1920 A1954 A1955 W1956 D1960 | L1916-L1958 HydrophobicContact CB-CD1 3.71Å; L1916-L1958 HydrophobicContact CB-CD2 3.72Å; L1916-L1958 HydrophobicContact CB-CG 3.57Å; L1916-L1958 HydrophobicContact CD1-CD2 4.05Å; L1916-L1958 HydrophobicContact CD1-CG 3.95Å; L1916-L1958 HydrophobicContact CG-CD2 4.5Å; L1916-L1958 HydrophobicContact CG-CG 4.43Å; H1917-L1958 HydrophobicContact CB-CD1 4.42Å; V1920-L1958 HydrophobicContact CG2-CD1 4.08Å; A1954-L1958 WeakPolarHBondContact O-CB 3.32Å; A1954-L1958 WeakPolarHBondContact O-CG 3.42Å; A1954-L1958 PolarHBondContact O-N 3.05Å; A1955-L1958 PolarHBondContact O-N 3.24Å; W1956-L1958 VanDerWaalsContact C-N 3.3Å; W1956-L1958 PolarHBondContact O-N 3.23Å; L1958-D1960 VanDerWaalsContact C-N 3.31Å; L1958-D1960 HydrophobicContact CB-CB 4.32Å |
| 1959 | G | 88.3 | Confident | 88.6 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 23.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1955 W1956 W1961 | A1955-G1959 PolarHBondContact O-N 3.09Å; A1955-G1959 VanDerWaalsContact O-N 3.12Å; W1956-G1959 PolarHBondContact O-N 3.09Å; G1959-W1961 PolarHBondContact O-N 3.25Å; G1959-W1961 VanDerWaalsContact O-N 3.17Å; G1959-W1961 PolarHBondContact O-NE1 3.26Å; G1959-W1961 VanDerWaalsContact O-NE1 3.1Å |
| 1960 | D | 90.7 | Very high | 87.6 | Confident | 47.6 Ų | 47.6 | 38.9 Ų | 38.9 | 26% | 0.255 | 19% | 0.192 | S | C | . | . | trans | -83.3 | 88.3 | 172.6 | -179.2 | 2.2 | 0 | 0 | 0 | 109.9 | A1955 L1958 E1962 T1963 L1964 | A1955-D1960 PolarHBondContact O-N 3.16Å; L1958-D1960 VanDerWaalsContact C-N 3.31Å; L1958-D1960 HydrophobicContact CB-CB 4.32Å; D1960-E1962 VanDerWaalsContact C-N 3.33Å; D1960-E1962 PolarHBondContact O-N 3.48Å; D1960-E1962 PolarHBondContact OD1-N 2.85Å; D1960-T1963 VanDerWaalsContact CG-OG1 3.31Å; D1960-T1963 PolarHBondContact O-OG1 3.3Å; D1960-T1963 PolarHBondContact OD1-N 3.15Å; D1960-T1963 VanDerWaalsContact OD1-N 3.15Å; D1960-T1963 PolarHBondContact OD1-OG1 3.14Å; D1960-T1963 WeakPolarHBondContact OD2-CB 3.34Å; D1960-T1963 WeakPolarHBondContact OD2-CG2 3.44Å; D1960-T1963 PolarHBondContact OD2-OG1 3.07Å; D1960-L1964 WeakPolarHBondContact O-CB 3.34Å; D1960-L1964 PolarHBondContact O-N 3.02Å; D1960-L1964 VanDerWaalsContact O-N 3.13Å | ||
| 1961 | W | 90.4 | Very high | 86.4 | Confident | 37.6 Ų | 37.6 | 40.1 Ų | 40.1 | 14% | 0.142 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.9 | -22.8 | -174.5 | -51.3 | 107.5 | 0 | 0 | 0 | 113.7 | W1956 G1959 L1964 Q1965 F1985 L1986 K1989 L2103 | W1956-W1961 HydrophobicContact CB-CZ3 4.49Å; G1959-W1961 PolarHBondContact O-N 3.25Å; G1959-W1961 VanDerWaalsContact O-N 3.17Å; G1959-W1961 PolarHBondContact O-NE1 3.26Å; G1959-W1961 VanDerWaalsContact O-NE1 3.1Å; W1961-L1964 HydrophobicContact CE3-CD2 3.72Å; W1961-L1964 HydrophobicContact CZ3-CD2 3.83Å; W1961-L1964 PolarHBondContact O-N 3.06Å; W1961-Q1965 WeakPolarHBondContact O-CG 3.35Å; W1961-Q1965 PolarHBondContact O-N 3.05Å; W1961-Q1965 VanDerWaalsContact O-N 3.09Å; W1961-F1985 HydrophobicContact CH2-CB 4.46Å; W1961-F1985 HydrophobicContact CZ3-CB 3.89Å; W1961-L1986 HydrophobicContact CE3-CD2 4.33Å; W1961-K1989 HydrophobicContact CB-CD 4.13Å; W1961-K1989 VanDerWaalsContact CB-NZ 3.26Å; W1961-K1989 VanDerWaalsContact CD1-NZ 3.27Å; W1961-K1989 HydrophobicContact CD2-CD 3.88Å; W1961-K1989 HydrophobicContact CE3-CD 4.39Å; W1961-K1989 HydrophobicContact CG-CD 3.71Å; W1961-K1989 VanDerWaalsContact CG-NZ 3.25Å; W1961-L2103 HydrophobicContact CD2-CD2 4.46Å; W1961-L2103 HydrophobicContact CH2-CD1 3.66Å; W1961-L2103 HydrophobicContact CH2-CD2 3.56Å; W1961-L2103 HydrophobicContact CH2-CG 3.6Å; W1961-L2103 HydrophobicContact CZ2-CD1 4.24Å; W1961-L2103 HydrophobicContact CZ2-CD2 3.27Å; W1961-L2103 HydrophobicContact CZ2-CG 3.66Å; W1961-L2103 HydrophobicContact CZ3-CD1 4.25Å; W1961-L2103 HydrophobicContact CZ3-CD2 4.27Å; W1961-L2103 HydrophobicContact CZ3-CG 4.43Å |
| 1962 | E | 89.7 | Confident | 84.6 | Confident | 155.4 Ų | 155.4 | 45.8 Ų | 45.8 | 73% | 0.726 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -71.4 | -50.6 | 179.9 | -67 | -179.2 | -175.1 | 0 | 0 | 109.7 | D1960 L1964 Q1965 E1966 | D1960-E1962 VanDerWaalsContact C-N 3.33Å; D1960-E1962 PolarHBondContact O-N 3.48Å; D1960-E1962 PolarHBondContact OD1-N 2.85Å; E1962-L1964 VanDerWaalsContact C-N 3.27Å; E1962-L1964 PolarHBondContact O-N 3.24Å; E1962-Q1965 WeakPolarHBondContact O-CB 3.35Å; E1962-Q1965 PolarHBondContact O-N 3.11Å; E1962-Q1965 VanDerWaalsContact O-N 3.14Å; E1962-E1966 PolarHBondContact O-N 3.11Å; E1962-E1966 VanDerWaalsContact O-N 3.16Å |
| 1963 | T | 88.2 | Confident | 82.8 | Confident | 18.2 Ų | 18.2 | 54 Ų | 54 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -33.2 | 174.2 | 16 | 0 | 0 | 0 | 0 | 112 | V1920 R1951 A1955 D1960 Q1965 E1966 T1967 | V1920-T1963 HydrophobicContact CG1-CG2 3.96Å; R1951-T1963 HydrophobicContact CG-CG2 4.42Å; A1955-T1963 HydrophobicContact CB-CG2 4.09Å; A1955-T1963 WeakPolarHBondContact CB-OG1 3.35Å; D1960-T1963 VanDerWaalsContact CG-OG1 3.31Å; D1960-T1963 PolarHBondContact O-OG1 3.3Å; D1960-T1963 PolarHBondContact OD1-N 3.15Å; D1960-T1963 VanDerWaalsContact OD1-N 3.15Å; D1960-T1963 PolarHBondContact OD1-OG1 3.14Å; D1960-T1963 WeakPolarHBondContact OD2-CB 3.34Å; D1960-T1963 WeakPolarHBondContact OD2-CG2 3.44Å; D1960-T1963 PolarHBondContact OD2-OG1 3.07Å; T1963-Q1965 VanDerWaalsContact C-N 3.34Å; T1963-Q1965 PolarHBondContact O-N 3.13Å; T1963-E1966 WeakPolarHBondContact O-CB 3.41Å; T1963-E1966 PolarHBondContact O-N 3.23Å; T1963-T1967 HydrophobicContact CG2-CG2 4.17Å; T1963-T1967 VanDerWaalsContact O-CG2 3.3Å; T1963-T1967 WeakPolarHBondContact O-CG2 3.27Å; T1963-T1967 PolarHBondContact O-N 3.06Å; T1963-T1967 VanDerWaalsContact O-N 3.09Å; T1963-T1967 PolarHBondContact O-OG1 3.14Å; T1963-T1967 VanDerWaalsContact O-OG1 3.07Å |
| 1964 | L | 88.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 175 | -166.6 | 65.2 | 0 | 0 | 0 | 112.2 | A1952 A1955 W1956 D1960 W1961 E1962 E1966 T1967 T1968 L1986 | A1952-L1964 HydrophobicContact CB-CD1 4.26Å; A1952-L1964 WeakPolarHBondContact O-CD1 3.34Å; A1955-L1964 HydrophobicContact CB-CB 4.23Å; A1955-L1964 HydrophobicContact CB-CD1 4.16Å; W1956-L1964 HydrophobicContact CB-CD1 4.24Å; W1956-L1964 HydrophobicContact CB-CD2 3.98Å; D1960-L1964 WeakPolarHBondContact O-CB 3.34Å; D1960-L1964 PolarHBondContact O-N 3.02Å; D1960-L1964 VanDerWaalsContact O-N 3.13Å; W1961-L1964 HydrophobicContact CE3-CD2 3.72Å; W1961-L1964 HydrophobicContact CZ3-CD2 3.83Å; W1961-L1964 PolarHBondContact O-N 3.06Å; E1962-L1964 VanDerWaalsContact C-N 3.27Å; E1962-L1964 PolarHBondContact O-N 3.24Å; L1964-E1966 VanDerWaalsContact C-N 3.32Å; L1964-E1966 PolarHBondContact O-N 3.29Å; L1964-T1967 WeakPolarHBondContact CA-OG1 3.31Å; L1964-T1967 PolarHBondContact O-N 3.07Å; L1964-T1967 PolarHBondContact O-OG1 3.24Å; L1964-T1968 HydrophobicContact CD1-CG2 4.45Å; L1964-T1968 HydrophobicContact CG-CG2 4.44Å; L1964-T1968 WeakPolarHBondContact O-CB 3.4Å; L1964-T1968 VanDerWaalsContact O-CG2 3.26Å; L1964-T1968 WeakPolarHBondContact O-CG2 3.38Å; L1964-T1968 PolarHBondContact O-N 3.16Å; L1964-T1968 VanDerWaalsContact O-N 3.07Å; L1964-T1968 PolarHBondContact O-OG1 3.12Å; L1964-T1968 VanDerWaalsContact O-OG1 3.07Å; L1964-L1986 HydrophobicContact CB-CD2 4.42Å; L1964-L1986 HydrophobicContact CD2-CD1 4.4Å; L1964-L1986 HydrophobicContact CD2-CD2 4.03Å; L1964-L1986 HydrophobicContact CD2-CG 3.84Å; L1964-L1986 HydrophobicContact CG-CD1 4.13Å; L1964-L1986 HydrophobicContact CG-CD2 4.38Å; L1964-L1986 HydrophobicContact CG-CG 4.12Å |
| 1965 | Q | 87.9 | Confident | 79.8 | Confident | 80.2 Ų | 80.2 | 58.6 Ų | 58.6 | 38% | 0.375 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 173.9 | -75.5 | 177.7 | -3.1 | 0 | 0 | 111.6 | W1961 E1962 T1963 T1967 T1968 N1969 L1986 | W1961-Q1965 WeakPolarHBondContact O-CG 3.35Å; W1961-Q1965 PolarHBondContact O-N 3.05Å; W1961-Q1965 VanDerWaalsContact O-N 3.09Å; E1962-Q1965 WeakPolarHBondContact O-CB 3.35Å; E1962-Q1965 PolarHBondContact O-N 3.11Å; E1962-Q1965 VanDerWaalsContact O-N 3.14Å; T1963-Q1965 VanDerWaalsContact C-N 3.34Å; T1963-Q1965 PolarHBondContact O-N 3.13Å; Q1965-T1967 VanDerWaalsContact C-N 3.33Å; Q1965-T1967 PolarHBondContact O-N 3.25Å; Q1965-T1968 WeakPolarHBondContact CA-OG1 3.47Å; Q1965-T1968 PolarHBondContact O-N 3.15Å; Q1965-T1968 PolarHBondContact O-OG1 3.17Å; Q1965-T1968 VanDerWaalsContact O-OG1 3.12Å; Q1965-N1969 WeakPolarHBondContact O-CB 3.4Å; Q1965-N1969 VanDerWaalsContact O-CG 3.27Å; Q1965-N1969 PolarHBondContact O-N 3.2Å; Q1965-N1969 VanDerWaalsContact O-N 3.15Å; Q1965-N1969 PolarHBondContact O-ND2 3.24Å; Q1965-N1969 VanDerWaalsContact O-ND2 3.14Å; Q1965-L1986 HydrophobicContact CB-CD1 4.47Å; Q1965-L1986 HydrophobicContact CG-CD1 3.86Å; Q1965-L1986 HydrophobicContact CG-CD2 3.71Å; Q1965-L1986 HydrophobicContact CG-CG 4.45Å |
| 1966 | E | 85.8 | Confident | 78.9 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 175.1 | -64.6 | -176 | 168.8 | 0 | 0 | 112.4 | R1951 E1962 T1963 L1964 T1968 N1969 M1970 | R1951-E1966 IonicContact CZ-OE2 3.43Å; R1951-E1966 IonicContact NH1-OE2 3.71Å; R1951-E1966 IonicContact NH2-OE2 3.24Å; R1951-E1966 PolarHBondContact NH2-OE2 3.11Å; E1962-E1966 PolarHBondContact O-N 3.11Å; E1962-E1966 VanDerWaalsContact O-N 3.16Å; T1963-E1966 WeakPolarHBondContact O-CB 3.41Å; T1963-E1966 PolarHBondContact O-N 3.23Å; L1964-E1966 VanDerWaalsContact C-N 3.32Å; L1964-E1966 PolarHBondContact O-N 3.29Å; E1966-T1968 VanDerWaalsContact C-N 3.33Å; E1966-T1968 PolarHBondContact O-N 3.34Å; E1966-N1969 PolarHBondContact O-N 3.3Å; E1966-M1970 VanDerWaalsContact O-CG 3.3Å; E1966-M1970 WeakPolarHBondContact O-CG 3.28Å |
| 1967 | T | 81.5 | Confident | 78.6 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -35 | -177.3 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | N1948 R1951 T1963 L1964 Q1965 M1970 | N1948-T1967 PolarHBondContact ND2-O 3.15Å; N1948-T1967 WeakPolarHBondContact OD1-CA 3.3Å; N1948-T1967 VanDerWaalsContact OD1-CB 3.26Å; N1948-T1967 WeakPolarHBondContact OD1-CB 3.37Å; N1948-T1967 VanDerWaalsContact OD1-CG2 3.31Å; N1948-T1967 WeakPolarHBondContact OD1-CG2 3.4Å; R1951-T1967 HydrophobicContact CB-CG2 4.22Å; R1951-T1967 HydrophobicContact CG-CG2 3.78Å; T1963-T1967 HydrophobicContact CG2-CG2 4.17Å; T1963-T1967 VanDerWaalsContact O-CG2 3.3Å; T1963-T1967 WeakPolarHBondContact O-CG2 3.27Å; T1963-T1967 PolarHBondContact O-N 3.06Å; T1963-T1967 VanDerWaalsContact O-N 3.09Å; T1963-T1967 PolarHBondContact O-OG1 3.14Å; T1963-T1967 VanDerWaalsContact O-OG1 3.07Å; L1964-T1967 WeakPolarHBondContact CA-OG1 3.31Å; L1964-T1967 PolarHBondContact O-N 3.07Å; L1964-T1967 PolarHBondContact O-OG1 3.24Å; Q1965-T1967 VanDerWaalsContact C-N 3.33Å; Q1965-T1967 PolarHBondContact O-N 3.25Å; T1967-M1970 WeakPolarHBondContact O-CB 3.39Å; T1967-M1970 PolarHBondContact O-N 2.83Å |
| 1968 | T | 80.1 | Confident | 78.3 | Confident | 7.8 Ų | 7.8 | 62.3 Ų | 62.3 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.7 | -23.5 | -178.3 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | L1964 Q1965 E1966 M1970 V1979 R1983 L1986 | L1964-T1968 HydrophobicContact CD1-CG2 4.45Å; L1964-T1968 HydrophobicContact CG-CG2 4.44Å; L1964-T1968 WeakPolarHBondContact O-CB 3.4Å; L1964-T1968 VanDerWaalsContact O-CG2 3.26Å; L1964-T1968 WeakPolarHBondContact O-CG2 3.38Å; L1964-T1968 PolarHBondContact O-N 3.16Å; L1964-T1968 VanDerWaalsContact O-N 3.07Å; L1964-T1968 PolarHBondContact O-OG1 3.12Å; L1964-T1968 VanDerWaalsContact O-OG1 3.07Å; Q1965-T1968 WeakPolarHBondContact CA-OG1 3.47Å; Q1965-T1968 PolarHBondContact O-N 3.15Å; Q1965-T1968 PolarHBondContact O-OG1 3.17Å; Q1965-T1968 VanDerWaalsContact O-OG1 3.12Å; E1966-T1968 VanDerWaalsContact C-N 3.33Å; E1966-T1968 PolarHBondContact O-N 3.34Å; T1968-M1970 VanDerWaalsContact C-N 3.29Å; T1968-M1970 PolarHBondContact O-N 2.99Å; T1968-V1979 HydrophobicContact CG2-CG1 4.25Å; T1968-R1983 HydrophobicContact CG2-CG 3.65Å; T1968-R1983 PolarHBondContact O-NE 3.29Å; T1968-R1983 VanDerWaalsContact O-NE 3.12Å; T1968-R1983 PolarHBondContact O-NH2 2.95Å; T1968-L1986 HydrophobicContact CG2-CD1 3.99Å; T1968-L1986 VanDerWaalsContact OG1-CD1 3.29Å; T1968-L1986 WeakPolarHBondContact OG1-CD1 3.41Å |
| 1969 | N | 78.4 | Confident | 78.2 | Confident | 121.8 Ų | 121.8 | 59.9 Ų | 59.9 | 65% | 0.651 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -12.2 | 177.2 | -75.1 | -21.1 | 0 | 0 | 0 | 114 | Q1965 E1966 | Q1965-N1969 WeakPolarHBondContact O-CB 3.4Å; Q1965-N1969 VanDerWaalsContact O-CG 3.27Å; Q1965-N1969 PolarHBondContact O-N 3.2Å; Q1965-N1969 VanDerWaalsContact O-N 3.15Å; Q1965-N1969 PolarHBondContact O-ND2 3.24Å; Q1965-N1969 VanDerWaalsContact O-ND2 3.14Å; E1966-N1969 PolarHBondContact O-N 3.3Å |
| 1970 | M | 67.2 | Low | 78.3 | Confident | 65.6 Ų | 65.6 | 59.2 Ų | 59.2 | 32% | 0.323 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -75.7 | -41.2 | -177.1 | -69.2 | -75.4 | -69.4 | 0 | 0 | 113.2 | V1927 K1931 V1944 E1966 T1967 T1968 R1983 | V1927-M1970 HydrophobicContact CG1-CE 3.49Å; V1927-M1970 VanDerWaalsContact CG1-CE 3.43Å; K1931-M1970 HydrophobicContact CD-CE 4.25Å; K1931-M1970 WeakPolarHBondContact CE-SD 3.4Å; K1931-M1970 PolarHBondContact NZ-SD 3.21Å; V1944-M1970 HydrophobicContact CG1-CE 3.99Å; E1966-M1970 VanDerWaalsContact O-CG 3.3Å; E1966-M1970 WeakPolarHBondContact O-CG 3.28Å; T1967-M1970 WeakPolarHBondContact O-CB 3.39Å; T1967-M1970 PolarHBondContact O-N 2.83Å; T1968-M1970 VanDerWaalsContact C-N 3.29Å; T1968-M1970 PolarHBondContact O-N 2.99Å; M1970-R1983 PolarHBondContact O-NH2 3.37Å |
| 1971 | N | 61.7 | Low | 78.3 | Confident | 49.8 Ų | 49.8 | 57 Ų | 57 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | trans | -110.7 | 95.2 | -171 | -72.7 | 4.9 | 0 | 0 | 0 | 113.4 | D1945 L1973 R1983 | D1945-N1971 PolarHBondContact OD1-ND2 3.18Å; D1945-N1971 PolarHBondContact OD1-OD1 2.83Å; D1945-N1971 PolarHBondContact OD2-ND2 2.87Å; N1971-L1973 PolarHBondContact O-N 3.34Å; N1971-R1983 PolarHBondContact O-NH2 3.13Å | ||
| 1972 | L | 53.2 | Low | 78.3 | Confident | 138 Ų | 138 | 55.2 Ų | 55.2 | 72% | 0.723 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -73.2 | -28.4 | -175.7 | -72.6 | 163.3 | 0 | 0 | 0 | 114.6 | R2002 | L1972-R2002 PolarHBondContact O-NH2 2.92Š|
| 1973 | L | 54.2 | Low | 78.3 | Confident | 171.4 Ų | 171.4 | 50.3 Ų | 50.3 | 90% | 0.897 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -92 | -37.8 | -167.5 | -73.5 | 156.4 | 0 | 0 | 0 | 113.8 | N1971 | N1971-L1973 PolarHBondContact O-N 3.34Š|
| 1974 | E | 55.7 | Low | 78.4 | Confident | 92.2 Ų | 92.2 | 49.4 Ų | 49.4 | 43% | 0.431 | 25% | 0.251 | S | S | . | . | trans | -129.7 | 117.2 | -178.1 | -62.2 | -164.2 | 146.1 | 0 | 0 | 111.1 | E1602 N1603 S1976 | E1602-E1974 VanDerWaalsContact CB-OE2 3.29Å; E1602-E1974 WeakPolarHBondContact CB-OE2 3.39Å; N1603-E1974 VanDerWaalsContact ND2-CD 3.34Å; N1603-E1974 PolarHBondContact ND2-OE2 3.09Å; N1603-E1974 PolarHBondContact OD1-OE2 3.16Å; E1974-S1976 PolarHBondContact O-N 3.03Å | ||
| 1975 | C | 64.6 | Low | 78.7 | Confident | 39.6 Ų | 39.6 | 49.4 Ų | 49.4 | 27% | 0.268 | 25% | 0.251 | S | S | . | . | trans | -105.5 | 115.3 | -177.8 | -83.8 | 0 | 0 | 0 | 0 | 110.2 | R1983 | C1975-R1983 VanDerWaalsContact SG-CZ 3.55Å; C1975-R1983 PolarHBondContact SG-NH1 3.37Å | ||
| 1976 | S | 75.9 | Confident | 78.9 | Confident | 34 Ų | 34 | 46.2 Ų | 46.2 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | trans | -60.5 | 154.9 | 162.1 | 66.6 | 0 | 0 | 0 | 0 | 110.4 | A1949 E1974 S1978 V1979 G1980 | A1949-S1976 WeakPolarHBondContact CB-OG 3.38Å; E1974-S1976 PolarHBondContact O-N 3.03Å; S1976-S1978 VanDerWaalsContact C-N 3.27Å; S1976-S1978 PolarHBondContact O-N 3.21Å; S1976-S1978 PolarHBondContact OG-OG 3.03Å; S1976-V1979 PolarHBondContact O-N 3.2Å; S1976-V1979 VanDerWaalsContact O-N 3.14Å; S1976-V1979 VanDerWaalsContact OG-CG2 3.26Å; S1976-V1979 WeakPolarHBondContact OG-CG2 3.35Å; S1976-V1979 PolarHBondContact OG-N 3.22Å; S1976-G1980 PolarHBondContact O-N 3.16Å | ||
| 1977 | W | 85.9 | Confident | 79.1 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 22% | 0.22 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -48.1 | -47.4 | 178.6 | 168.5 | -107.2 | 0 | 0 | 0 | 112.8 | V1979 G1980 L1981 L2003 Q2007 R2031 L2035 | W1977-V1979 PolarHBondContact O-N 3Å; W1977-G1980 PolarHBondContact O-N 3.13Å; W1977-L1981 HydrophobicContact CD2-CD1 4.15Å; W1977-L1981 HydrophobicContact CD2-CG 4.25Å; W1977-L1981 VanDerWaalsContact CE2-CD1 3.44Å; W1977-L1981 HydrophobicContact CE3-CG 4.5Å; W1977-L1981 HydrophobicContact CG-CD1 4.4Å; W1977-L1981 HydrophobicContact CH2-CD1 4.28Å; W1977-L1981 HydrophobicContact CH2-CD2 4.04Å; W1977-L1981 HydrophobicContact CH2-CG 4.29Å; W1977-L1981 HydrophobicContact CZ2-CD1 3.52Å; W1977-L1981 HydrophobicContact CZ2-CD2 3.99Å; W1977-L1981 HydrophobicContact CZ2-CG 4.05Å; W1977-L1981 HydrophobicContact CZ3-CD2 4.45Å; W1977-L1981 HydrophobicContact CZ3-CG 4.48Å; W1977-L1981 VanDerWaalsContact NE1-CD1 3.3Å; W1977-L1981 VanDerWaalsContact O-CB 3.32Å; W1977-L1981 WeakPolarHBondContact O-CB 3.31Å; W1977-L1981 WeakPolarHBondContact O-CG 3.37Å; W1977-L1981 PolarHBondContact O-N 2.94Å; W1977-L2003 HydrophobicContact CE3-CD2 4.35Å; W1977-L2003 HydrophobicContact CZ3-CD2 4.42Å; W1977-Q2007 HydrophobicContact CE3-CG 4.44Å; W1977-Q2007 HydrophobicContact CZ3-CG 4.13Å; W1977-R2031 HydrophobicContact CD2-CG 4.38Å; W1977-R2031 HydrophobicContact CH2-CB 3.59Å; W1977-R2031 HydrophobicContact CH2-CG 4.04Å; W1977-R2031 HydrophobicContact CZ2-CB 3.75Å; W1977-R2031 HydrophobicContact CZ2-CG 3.7Å; W1977-R2031 HydrophobicContact CZ3-CB 4.08Å; W1977-R2031 HydrophobicContact CZ3-CG 4.44Å; W1977-L2035 HydrophobicContact CH2-CD1 4.21Å; W1977-L2035 HydrophobicContact CH2-CD2 3.79Å; W1977-L2035 HydrophobicContact CH2-CG 3.82Å; W1977-L2035 HydrophobicContact CZ3-CD1 4.16Å; W1977-L2035 HydrophobicContact CZ3-CD2 4.16Å; W1977-L2035 HydrophobicContact CZ3-CG 4.24Å |
| 1978 | S | 87.5 | Confident | 79.4 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68 | -38.4 | -178 | 19.8 | 0 | 0 | 0 | 0 | 113.2 | A1949 E1953 S1976 G1982 | A1949-S1978 VanDerWaalsContact C-OG 3.27Å; A1949-S1978 VanDerWaalsContact CA-OG 3.25Å; A1949-S1978 WeakPolarHBondContact CA-OG 3.32Å; A1949-S1978 WeakPolarHBondContact CB-OG 3.41Å; A1949-S1978 VanDerWaalsContact O-CB 3.29Å; A1949-S1978 WeakPolarHBondContact O-CB 3.36Å; A1949-S1978 PolarHBondContact O-OG 3.15Å; E1953-S1978 PolarHBondContact OE2-OG 3.27Å; E1953-S1978 VanDerWaalsContact OE2-OG 3.13Å; S1976-S1978 VanDerWaalsContact C-N 3.27Å; S1976-S1978 PolarHBondContact O-N 3.21Å; S1976-S1978 PolarHBondContact OG-OG 3.03Å; S1978-G1982 PolarHBondContact O-N 2.97Å |
| 1979 | V | 87.6 | Confident | 79.8 | Confident | 4.6 Ų | 4.6 | 46.2 Ų | 46.2 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.7 | -40.4 | 175.4 | 175 | 0 | 0 | 0 | 0 | 110.6 | A1952 T1968 S1976 W1977 L1981 G1982 R1983 | A1952-V1979 HydrophobicContact CB-CG2 3.91Å; T1968-V1979 HydrophobicContact CG2-CG1 4.25Å; S1976-V1979 PolarHBondContact O-N 3.2Å; S1976-V1979 VanDerWaalsContact O-N 3.14Å; S1976-V1979 VanDerWaalsContact OG-CG2 3.26Å; S1976-V1979 WeakPolarHBondContact OG-CG2 3.35Å; S1976-V1979 PolarHBondContact OG-N 3.22Å; W1977-V1979 PolarHBondContact O-N 3Å; V1979-L1981 VanDerWaalsContact C-N 3.33Å; V1979-L1981 PolarHBondContact O-N 2.73Å; V1979-G1982 CarbonylContact O-C 3.58Å; V1979-G1982 WeakPolarHBondContact O-CA 3.41Å; V1979-G1982 PolarHBondContact O-N 3.12Å; V1979-G1982 VanDerWaalsContact O-N 3.15Å; V1979-R1983 PolarHBondContact O-N 3.13Å |
| 1980 | G | 88.8 | Confident | 80.3 | Confident | 2.2 Ų | 2.2 | 43.2 Ų | 43.2 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1976 W1977 G1982 R1983 L1984 | S1976-G1980 PolarHBondContact O-N 3.16Å; W1977-G1980 PolarHBondContact O-N 3.13Å; G1980-G1982 VanDerWaalsContact C-N 3.31Å; G1980-G1982 PolarHBondContact O-N 3.1Å; G1980-R1983 PolarHBondContact O-N 3.25Å; G1980-L1984 PolarHBondContact O-N 3.01Å |
| 1981 | L | 90.8 | Very high | 81 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 170.5 | -99.3 | 158 | 0 | 0 | 0 | 112 | W1956 W1977 V1979 R1983 L1984 F1985 L2035 I2038 I2096 | W1956-L1981 HydrophobicContact CD2-CD2 4.43Å; W1956-L1981 HydrophobicContact CH2-CD2 4.3Å; W1956-L1981 HydrophobicContact CZ2-CD2 3.72Å; W1977-L1981 HydrophobicContact CD2-CD1 4.15Å; W1977-L1981 HydrophobicContact CD2-CG 4.25Å; W1977-L1981 VanDerWaalsContact CE2-CD1 3.44Å; W1977-L1981 HydrophobicContact CE3-CG 4.5Å; W1977-L1981 HydrophobicContact CG-CD1 4.4Å; W1977-L1981 HydrophobicContact CH2-CD1 4.28Å; W1977-L1981 HydrophobicContact CH2-CD2 4.04Å; W1977-L1981 HydrophobicContact CH2-CG 4.29Å; W1977-L1981 HydrophobicContact CZ2-CD1 3.52Å; W1977-L1981 HydrophobicContact CZ2-CD2 3.99Å; W1977-L1981 HydrophobicContact CZ2-CG 4.05Å; W1977-L1981 HydrophobicContact CZ3-CD2 4.45Å; W1977-L1981 HydrophobicContact CZ3-CG 4.48Å; W1977-L1981 VanDerWaalsContact NE1-CD1 3.3Å; W1977-L1981 VanDerWaalsContact O-CB 3.32Å; W1977-L1981 WeakPolarHBondContact O-CB 3.31Å; W1977-L1981 WeakPolarHBondContact O-CG 3.37Å; W1977-L1981 PolarHBondContact O-N 2.94Å; V1979-L1981 VanDerWaalsContact C-N 3.33Å; V1979-L1981 PolarHBondContact O-N 2.73Å; L1981-R1983 VanDerWaalsContact C-N 3.34Å; L1981-R1983 PolarHBondContact O-N 3.08Å; L1981-L1984 HydrophobicContact CD1-CD2 4.32Å; L1981-L1984 HydrophobicContact CD2-CD2 4.35Å; L1981-L1984 WeakPolarHBondContact O-CB 3.43Å; L1981-L1984 PolarHBondContact O-N 3.08Å; L1981-L1984 VanDerWaalsContact O-N 3.15Å; L1981-F1985 HydrophobicContact CB-CE2 4.49Å; L1981-F1985 HydrophobicContact CD1-CE2 4.22Å; L1981-F1985 HydrophobicContact CD1-CZ 4.44Å; L1981-F1985 HydrophobicContact CD2-CD2 4.21Å; L1981-F1985 HydrophobicContact CD2-CE2 3.67Å; L1981-F1985 HydrophobicContact CD2-CZ 4.16Å; L1981-F1985 HydrophobicContact CG-CD2 4.07Å; L1981-F1985 HydrophobicContact CG-CE2 3.64Å; L1981-F1985 HydrophobicContact CG-CZ 4.32Å; L1981-F1985 VanDerWaalsContact O-CD2 3.23Å; L1981-F1985 WeakPolarHBondContact O-CD2 3.37Å; L1981-F1985 PolarHBondContact O-N 3.17Å; L1981-L2035 HydrophobicContact CD1-CD2 4.37Å; L1981-L2035 HydrophobicContact CD2-CD2 3.84Å; L1981-I2038 HydrophobicContact CD1-CD1 3.49Å; L1981-I2038 VanDerWaalsContact CD1-CD1 3.49Å; L1981-I2038 HydrophobicContact CD2-CD1 3.75Å; L1981-I2096 HydrophobicContact CD1-CD1 4.1Å; L1981-I2096 HydrophobicContact CD1-CG1 4.44Å; L1981-I2096 HydrophobicContact CD2-CD1 4.27Å; L1981-I2096 HydrophobicContact CD2-CG1 4.14Å; L1981-I2096 HydrophobicContact CD2-CG2 4.44Å |
| 1982 | G | 90.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.5 | -46.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1978 V1979 G1980 L1984 F1985 L1986 | S1978-G1982 PolarHBondContact O-N 2.97Å; V1979-G1982 CarbonylContact O-C 3.58Å; V1979-G1982 WeakPolarHBondContact O-CA 3.41Å; V1979-G1982 PolarHBondContact O-N 3.12Å; V1979-G1982 VanDerWaalsContact O-N 3.15Å; G1980-G1982 VanDerWaalsContact C-N 3.31Å; G1980-G1982 PolarHBondContact O-N 3.1Å; G1982-L1984 VanDerWaalsContact C-N 3.33Å; G1982-L1984 PolarHBondContact O-N 3.12Å; G1982-F1985 PolarHBondContact O-N 3.17Å; G1982-L1986 WeakPolarHBondContact O-CG 3.37Å; G1982-L1986 PolarHBondContact O-N 3.21Å |
| 1983 | R | 90.1 | Very high | 83.4 | Confident | 52 Ų | 52 | 48 Ų | 48 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 174.7 | -71.1 | -177.5 | 178.1 | 175 | 3.6 | 112.4 | T1968 M1970 N1971 C1975 V1979 G1980 L1981 F1985 L1986 A1987 I1999 | T1968-R1983 HydrophobicContact CG2-CG 3.65Å; T1968-R1983 PolarHBondContact O-NE 3.29Å; T1968-R1983 VanDerWaalsContact O-NE 3.12Å; T1968-R1983 PolarHBondContact O-NH2 2.95Å; M1970-R1983 PolarHBondContact O-NH2 3.37Å; N1971-R1983 PolarHBondContact O-NH2 3.13Å; C1975-R1983 VanDerWaalsContact SG-CZ 3.55Å; C1975-R1983 PolarHBondContact SG-NH1 3.37Å; V1979-R1983 PolarHBondContact O-N 3.13Å; G1980-R1983 PolarHBondContact O-N 3.25Å; L1981-R1983 VanDerWaalsContact C-N 3.34Å; L1981-R1983 PolarHBondContact O-N 3.08Å; R1983-F1985 VanDerWaalsContact C-N 3.35Å; R1983-L1986 PolarHBondContact O-N 3.1Å; R1983-A1987 WeakPolarHBondContact O-CB 3.25Å; R1983-A1987 PolarHBondContact O-N 3.26Å; R1983-I1999 HydrophobicContact CB-CD1 4.14Å; R1983-I1999 HydrophobicContact CB-CG2 4.45Å |
| 1984 | L | 91.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 176.7 | -172.7 | 69.8 | 0 | 0 | 0 | 110.9 | G1980 L1981 G1982 A1987 M1988 W1996 I1999 L2000 L2003 L2035 I2038 | G1980-L1984 PolarHBondContact O-N 3.01Å; L1981-L1984 HydrophobicContact CD1-CD2 4.32Å; L1981-L1984 HydrophobicContact CD2-CD2 4.35Å; L1981-L1984 WeakPolarHBondContact O-CB 3.43Å; L1981-L1984 PolarHBondContact O-N 3.08Å; L1981-L1984 VanDerWaalsContact O-N 3.15Å; G1982-L1984 VanDerWaalsContact C-N 3.33Å; G1982-L1984 PolarHBondContact O-N 3.12Å; L1984-A1987 PolarHBondContact O-N 3.26Å; L1984-M1988 WeakPolarHBondContact O-CB 3.28Å; L1984-M1988 PolarHBondContact O-N 3.14Å; L1984-W1996 HydrophobicContact CD1-CD2 4.18Å; L1984-W1996 HydrophobicContact CD1-CE3 3.34Å; L1984-W1996 HydrophobicContact CD1-CG 4.15Å; L1984-W1996 HydrophobicContact CD1-CH2 3.91Å; L1984-W1996 HydrophobicContact CD1-CZ2 4.38Å; L1984-W1996 HydrophobicContact CD1-CZ3 3.35Å; L1984-W1996 HydrophobicContact CD2-CH2 4.18Å; L1984-W1996 HydrophobicContact CD2-CZ3 4.24Å; L1984-W1996 HydrophobicContact CG-CE3 3.89Å; L1984-W1996 HydrophobicContact CG-CH2 3.98Å; L1984-W1996 HydrophobicContact CG-CZ3 3.41Å; L1984-W1996 VanDerWaalsContact CG-CZ3 3.43Å; L1984-W1996 WeakPolarHBondContact O-CZ3 3.19Å; L1984-I1999 HydrophobicContact CB-CG2 4.11Å; L1984-I1999 HydrophobicContact CD1-CB 4.41Å; L1984-I1999 HydrophobicContact CD1-CG2 4.13Å; L1984-L2000 HydrophobicContact CD1-CB 4.02Å; L1984-L2000 HydrophobicContact CD1-CD1 4.36Å; L1984-L2000 HydrophobicContact CD2-CD1 4.19Å; L1984-L2003 HydrophobicContact CB-CD1 4.41Å; L1984-L2003 HydrophobicContact CD2-CD1 4.28Å; L1984-L2035 HydrophobicContact CD2-CD2 4.1Å; L1984-I2038 HydrophobicContact CD2-CD1 4.02Å; L1984-I2038 HydrophobicContact CD2-CG2 4.04Å |
| 1985 | F | 93.3 | Very high | 86.3 | Confident | 0.2 Ų | 0.2 | 41.2 Ų | 41.2 | 0% | 0.001 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 176.1 | -72.7 | -50.1 | 0 | 0 | 0 | 113.2 | W1956 W1961 L1981 G1982 R1983 M1988 K1989 I2038 I2096 A2099 A2100 L2103 | W1956-F1985 HydrophobicContact CB-CD2 3.98Å; W1956-F1985 HydrophobicContact CB-CE2 4.41Å; W1956-F1985 HydrophobicContact CD2-CD2 4.33Å; W1956-F1985 AromaticContact CD2-CE2 3.94Å; W1956-F1985 HydrophobicContact CD2-CE2 3.94Å; W1956-F1985 HydrophobicContact CE3-CD2 4.47Å; W1956-F1985 AromaticContact CE3-CE2 3.91Å; W1956-F1985 HydrophobicContact CE3-CE2 3.91Å; W1956-F1985 HydrophobicContact CG-CD2 4.07Å; W1956-F1985 HydrophobicContact CG-CE2 4.17Å; W1956-F1985 HydrophobicContact CZ3-CE2 4.42Å; W1961-F1985 HydrophobicContact CH2-CB 4.46Å; W1961-F1985 HydrophobicContact CZ3-CB 3.89Å; L1981-F1985 HydrophobicContact CB-CE2 4.49Å; L1981-F1985 HydrophobicContact CD1-CE2 4.22Å; L1981-F1985 HydrophobicContact CD1-CZ 4.44Å; L1981-F1985 HydrophobicContact CD2-CD2 4.21Å; L1981-F1985 HydrophobicContact CD2-CE2 3.67Å; L1981-F1985 HydrophobicContact CD2-CZ 4.16Å; L1981-F1985 HydrophobicContact CG-CD2 4.07Å; L1981-F1985 HydrophobicContact CG-CE2 3.64Å; L1981-F1985 HydrophobicContact CG-CZ 4.32Å; L1981-F1985 VanDerWaalsContact O-CD2 3.23Å; L1981-F1985 WeakPolarHBondContact O-CD2 3.37Å; L1981-F1985 PolarHBondContact O-N 3.17Å; G1982-F1985 PolarHBondContact O-N 3.17Å; R1983-F1985 VanDerWaalsContact C-N 3.35Å; F1985-M1988 HydrophobicContact CD1-SD 4.44Å; F1985-M1988 WeakPolarHBondContact O-CB 3.29Å; F1985-M1988 PolarHBondContact O-N 3.22Å; F1985-K1989 WeakPolarHBondContact O-CB 3.43Å; F1985-K1989 PolarHBondContact O-N 3.08Å; F1985-I2038 HydrophobicContact CE1-CD1 4.3Å; F1985-I2038 HydrophobicContact CE1-CG1 4.35Å; F1985-I2038 HydrophobicContact CE1-CG2 4.44Å; F1985-I2038 HydrophobicContact CZ-CD1 4.13Å; F1985-I2038 HydrophobicContact CZ-CG1 4.42Å; F1985-I2096 HydrophobicContact CZ-CG2 4.3Å; F1985-A2099 HydrophobicContact CE1-CB 4.27Å; F1985-A2099 HydrophobicContact CE2-CB 4.18Å; F1985-A2099 HydrophobicContact CZ-CB 3.88Å; F1985-A2100 HydrophobicContact CE1-CB 4.07Å; F1985-L2103 HydrophobicContact CB-CD1 4.03Å; F1985-L2103 HydrophobicContact CD1-CD1 3.66Å; F1985-L2103 HydrophobicContact CE1-CD1 4.43Å; F1985-L2103 HydrophobicContact CG-CD1 4.2Å |
| 1986 | L | 91.3 | Very high | 87.4 | Confident | 11.2 Ų | 11.2 | 41.2 Ų | 41.2 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 172.8 | -71.5 | 174.6 | 0 | 0 | 0 | 111.8 | W1961 L1964 Q1965 T1968 G1982 R1983 M1988 K1989 D1990 | W1961-L1986 HydrophobicContact CE3-CD2 4.33Å; L1964-L1986 HydrophobicContact CB-CD2 4.42Å; L1964-L1986 HydrophobicContact CD2-CD1 4.4Å; L1964-L1986 HydrophobicContact CD2-CD2 4.03Å; L1964-L1986 HydrophobicContact CD2-CG 3.84Å; L1964-L1986 HydrophobicContact CG-CD1 4.13Å; L1964-L1986 HydrophobicContact CG-CD2 4.38Å; L1964-L1986 HydrophobicContact CG-CG 4.12Å; Q1965-L1986 HydrophobicContact CB-CD1 4.47Å; Q1965-L1986 HydrophobicContact CG-CD1 3.86Å; Q1965-L1986 HydrophobicContact CG-CD2 3.71Å; Q1965-L1986 HydrophobicContact CG-CG 4.45Å; T1968-L1986 HydrophobicContact CG2-CD1 3.99Å; T1968-L1986 VanDerWaalsContact OG1-CD1 3.29Å; T1968-L1986 WeakPolarHBondContact OG1-CD1 3.41Å; G1982-L1986 WeakPolarHBondContact O-CG 3.37Å; G1982-L1986 PolarHBondContact O-N 3.21Å; R1983-L1986 PolarHBondContact O-N 3.1Å; L1986-M1988 VanDerWaalsContact C-N 3.3Å; L1986-M1988 PolarHBondContact O-N 3.18Å; L1986-K1989 PolarHBondContact O-N 3.18Å; L1986-D1990 WeakPolarHBondContact O-CB 3.33Å; L1986-D1990 PolarHBondContact O-N 3.2Å |
| 1987 | A | 90.2 | Very high | 88.1 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1983 L1984 K1991 R1992 D1995 W1996 I1999 | R1983-A1987 WeakPolarHBondContact O-CB 3.25Å; R1983-A1987 PolarHBondContact O-N 3.26Å; L1984-A1987 PolarHBondContact O-N 3.26Å; A1987-K1991 PolarHBondContact O-N 3.15Å; A1987-K1991 VanDerWaalsContact O-N 3.11Å; A1987-R1992 PolarHBondContact O-N 3.17Å; A1987-D1995 HydrophobicContact CB-CB 4.46Å; A1987-W1996 HydrophobicContact CB-CB 4.18Å; A1987-I1999 HydrophobicContact CB-CD1 4.24Å |
| 1988 | M | 89.4 | Confident | 88.2 | Confident | 24.4 Ų | 24.4 | 46.6 Ų | 46.6 | 12% | 0.12 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 173.8 | -173.9 | 179.6 | 175.6 | 0 | 0 | 111.8 | L1984 F1985 L1986 K1991 W1996 I2038 L2103 V2104 | L1984-M1988 WeakPolarHBondContact O-CB 3.28Å; L1984-M1988 PolarHBondContact O-N 3.14Å; F1985-M1988 HydrophobicContact CD1-SD 4.44Å; F1985-M1988 WeakPolarHBondContact O-CB 3.29Å; F1985-M1988 PolarHBondContact O-N 3.22Å; L1986-M1988 VanDerWaalsContact C-N 3.3Å; L1986-M1988 PolarHBondContact O-N 3.18Å; M1988-K1991 PolarHBondContact O-N 3.33Å; M1988-W1996 HydrophobicContact CB-CE3 4.06Å; M1988-W1996 HydrophobicContact CB-CH2 4.43Å; M1988-W1996 HydrophobicContact CB-CZ3 3.72Å; M1988-W1996 HydrophobicContact CG-CH2 4.43Å; M1988-W1996 HydrophobicContact CG-CZ3 4.2Å; M1988-W1996 HydrophobicContact SD-CH2 4.26Å; M1988-W1996 HydrophobicContact SD-CZ3 4.33Å; M1988-I2038 HydrophobicContact SD-CG2 4.39Å; M1988-L2103 HydrophobicContact CB-CD1 4.44Å; M1988-L2103 HydrophobicContact CE-CB 4.35Å; M1988-L2103 HydrophobicContact CG-CD1 4.41Å; M1988-L2103 HydrophobicContact SD-CB 4.47Å; M1988-L2103 HydrophobicContact SD-CD1 4.03Å; M1988-V2104 HydrophobicContact CE-CG2 3.49Å; M1988-V2104 VanDerWaalsContact CE-CG2 3.46Å |
| 1989 | K | 88.4 | Confident | 88.3 | Confident | 89.2 Ų | 89.2 | 48 Ų | 48 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 177.3 | -176.5 | -172.6 | 172.4 | -170.3 | 0 | 112 | W1961 F1985 L1986 K1991 L2103 | W1961-K1989 HydrophobicContact CB-CD 4.13Å; W1961-K1989 VanDerWaalsContact CB-NZ 3.26Å; W1961-K1989 VanDerWaalsContact CD1-NZ 3.27Å; W1961-K1989 HydrophobicContact CD2-CD 3.88Å; W1961-K1989 HydrophobicContact CE3-CD 4.39Å; W1961-K1989 HydrophobicContact CG-CD 3.71Å; W1961-K1989 VanDerWaalsContact CG-NZ 3.25Å; F1985-K1989 WeakPolarHBondContact O-CB 3.43Å; F1985-K1989 PolarHBondContact O-N 3.08Å; L1986-K1989 PolarHBondContact O-N 3.18Å; K1989-K1991 VanDerWaalsContact C-N 3.26Å; K1989-K1991 PolarHBondContact O-N 2.96Å; K1989-L2103 HydrophobicContact CB-CD2 3.89Å; K1989-L2103 HydrophobicContact CD-CD2 4.47Å; K1989-L2103 HydrophobicContact CG-CD2 4.1Å |
| 1990 | D | 87.4 | Confident | 88.5 | Confident | 60 Ų | 60 | 47.9 Ų | 47.9 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -0.9 | -176.7 | -65.1 | -11.4 | 0 | 0 | 0 | 113.2 | L1986 R1992 | L1986-D1990 WeakPolarHBondContact O-CB 3.33Å; L1986-D1990 PolarHBondContact O-N 3.2Å; D1990-R1992 VanDerWaalsContact C-N 3.28Å; D1990-R1992 HydrophobicContact CB-CG 4.06Å; D1990-R1992 PolarHBondContact O-N 3.07Å; D1990-R1992 IonicContact OD2-CZ 3.02Å; D1990-R1992 VanDerWaalsContact OD2-CZ 3.27Å; D1990-R1992 IonicContact OD2-NE 2.94Å; D1990-R1992 PolarHBondContact OD2-NE 3.22Å; D1990-R1992 IonicContact OD2-NH1 2.94Å; D1990-R1992 PolarHBondContact OD2-NH1 3.11Å; D1990-R1992 IonicContact OD2-NH2 3.28Å; D1990-R1992 PolarHBondContact OD2-NH2 3.28Å |
| 1991 | K | 83 | Confident | 88.5 | Confident | 122.6 Ų | 122.6 | 49.6 Ų | 49.6 | 53% | 0.533 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 34.8 | -177.8 | -58.2 | -176.6 | 178.7 | 179.7 | 0 | 114.2 | A1987 M1988 K1989 T1993 | A1987-K1991 PolarHBondContact O-N 3.15Å; A1987-K1991 VanDerWaalsContact O-N 3.11Å; M1988-K1991 PolarHBondContact O-N 3.33Å; K1989-K1991 VanDerWaalsContact C-N 3.26Å; K1989-K1991 PolarHBondContact O-N 2.96Å; K1991-T1993 PolarHBondContact O-N 3.15Å; K1991-T1993 VanDerWaalsContact O-N 3.16Å |
| 1992 | R | 84.5 | Confident | 88.4 | Confident | 119.8 Ų | 119.8 | 56.5 Ų | 56.5 | 45% | 0.452 | 28% | 0.277 | S | S | . | . | trans | -84.9 | 83.6 | 176.9 | -64.4 | -176.3 | -133.7 | 155.1 | 0.4 | 110.8 | A1987 D1990 S1994 D1995 W1996 | A1987-R1992 PolarHBondContact O-N 3.17Å; D1990-R1992 VanDerWaalsContact C-N 3.28Å; D1990-R1992 HydrophobicContact CB-CG 4.06Å; D1990-R1992 PolarHBondContact O-N 3.07Å; D1990-R1992 IonicContact OD2-CZ 3.02Å; D1990-R1992 VanDerWaalsContact OD2-CZ 3.27Å; D1990-R1992 IonicContact OD2-NE 2.94Å; D1990-R1992 PolarHBondContact OD2-NE 3.22Å; D1990-R1992 IonicContact OD2-NH1 2.94Å; D1990-R1992 PolarHBondContact OD2-NH1 3.11Å; D1990-R1992 IonicContact OD2-NH2 3.28Å; D1990-R1992 PolarHBondContact OD2-NH2 3.28Å; R1992-S1994 PolarHBondContact O-N 3.06Å; R1992-D1995 HydrophobicContact CB-CB 4.13Å; R1992-D1995 WeakPolarHBondContact CD-OD2 3.36Å; R1992-D1995 IonicContact CZ-OD2 2.81Å; R1992-D1995 IonicContact NH1-OD2 3.49Å; R1992-D1995 PolarHBondContact NH1-OD2 3.06Å; R1992-D1995 PolarHBondContact O-N 3.07Å; R1992-W1996 VanDerWaalsContact O-CB 3.31Å; R1992-W1996 WeakPolarHBondContact O-CB 3.44Å; R1992-W1996 PolarHBondContact O-N 3.15Å | ||
| 1993 | T | 80.7 | Confident | 88.4 | Confident | 111.4 Ų | 111.4 | 56.8 Ų | 56.8 | 68% | 0.683 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62 | -36.9 | -173.3 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | K1991 S1997 | K1991-T1993 PolarHBondContact O-N 3.15Å; K1991-T1993 VanDerWaalsContact O-N 3.16Å; T1993-S1997 PolarHBondContact O-N 3.21Å; T1993-S1997 VanDerWaalsContact O-N 3.14Å; T1993-S1997 PolarHBondContact O-OG 3.18Å; T1993-S1997 VanDerWaalsContact O-OG 3.09Å |
| 1994 | S | 84.7 | Confident | 88.4 | Confident | 63.6 Ų | 63.6 | 56.5 Ų | 56.5 | 45% | 0.445 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 177.5 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | R1992 S1997 K1998 | R1992-S1994 PolarHBondContact O-N 3.06Å; S1994-S1997 PolarHBondContact O-OG 3.12Å; S1994-S1997 VanDerWaalsContact O-OG 3.07Å; S1994-K1998 WeakPolarHBondContact O-CD 3.47Å; S1994-K1998 VanDerWaalsContact O-CG 3.29Å; S1994-K1998 WeakPolarHBondContact O-CG 3.4Å; S1994-K1998 PolarHBondContact O-N 3.07Å |
| 1995 | D | 86 | Confident | 88.3 | Confident | 57.8 Ų | 57.8 | 59.5 Ų | 59.5 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75 | -40.4 | -178.4 | -63.8 | -12 | 0 | 0 | 0 | 110.1 | A1987 R1992 S1997 K1998 I1999 | A1987-D1995 HydrophobicContact CB-CB 4.46Å; R1992-D1995 HydrophobicContact CB-CB 4.13Å; R1992-D1995 WeakPolarHBondContact CD-OD2 3.36Å; R1992-D1995 IonicContact CZ-OD2 2.81Å; R1992-D1995 IonicContact NH1-OD2 3.49Å; R1992-D1995 PolarHBondContact NH1-OD2 3.06Å; R1992-D1995 PolarHBondContact O-N 3.07Å; D1995-S1997 VanDerWaalsContact C-N 3.35Å; D1995-S1997 PolarHBondContact O-N 3.2Å; D1995-K1998 PolarHBondContact O-N 3.16Å; D1995-I1999 HydrophobicContact CB-CD1 4.37Å; D1995-I1999 WeakPolarHBondContact O-CB 3.35Å; D1995-I1999 WeakPolarHBondContact O-CD1 3.33Å; D1995-I1999 VanDerWaalsContact O-CG1 3.24Å; D1995-I1999 WeakPolarHBondContact O-CG1 3.41Å; D1995-I1999 PolarHBondContact O-N 3.21Å |
| 1996 | W | 88.6 | Confident | 87.8 | Confident | 39.4 Ų | 39.4 | 62 Ų | 62 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -53.1 | -51.9 | 174.9 | 175.9 | 104.9 | 0 | 0 | 0 | 112 | L1984 A1987 M1988 R1992 K1998 I1999 L2000 I2038 E2039 | L1984-W1996 HydrophobicContact CD1-CD2 4.18Å; L1984-W1996 HydrophobicContact CD1-CE3 3.34Å; L1984-W1996 HydrophobicContact CD1-CG 4.15Å; L1984-W1996 HydrophobicContact CD1-CH2 3.91Å; L1984-W1996 HydrophobicContact CD1-CZ2 4.38Å; L1984-W1996 HydrophobicContact CD1-CZ3 3.35Å; L1984-W1996 HydrophobicContact CD2-CH2 4.18Å; L1984-W1996 HydrophobicContact CD2-CZ3 4.24Å; L1984-W1996 HydrophobicContact CG-CE3 3.89Å; L1984-W1996 HydrophobicContact CG-CH2 3.98Å; L1984-W1996 HydrophobicContact CG-CZ3 3.41Å; L1984-W1996 VanDerWaalsContact CG-CZ3 3.43Å; L1984-W1996 WeakPolarHBondContact O-CZ3 3.19Å; A1987-W1996 HydrophobicContact CB-CB 4.18Å; M1988-W1996 HydrophobicContact CB-CE3 4.06Å; M1988-W1996 HydrophobicContact CB-CH2 4.43Å; M1988-W1996 HydrophobicContact CB-CZ3 3.72Å; M1988-W1996 HydrophobicContact CG-CH2 4.43Å; M1988-W1996 HydrophobicContact CG-CZ3 4.2Å; M1988-W1996 HydrophobicContact SD-CH2 4.26Å; M1988-W1996 HydrophobicContact SD-CZ3 4.33Å; R1992-W1996 VanDerWaalsContact O-CB 3.31Å; R1992-W1996 WeakPolarHBondContact O-CB 3.44Å; R1992-W1996 PolarHBondContact O-N 3.15Å; W1996-K1998 VanDerWaalsContact C-N 3.34Å; W1996-K1998 PolarHBondContact O-N 3.1Å; W1996-I1999 PolarHBondContact O-N 3.21Å; W1996-L2000 HydrophobicContact CE3-CD2 4.41Å; W1996-L2000 HydrophobicContact CH2-CD2 3.5Å; W1996-L2000 VanDerWaalsContact CH2-CD2 3.41Å; W1996-L2000 HydrophobicContact CZ2-CD2 3.9Å; W1996-L2000 HydrophobicContact CZ3-CD2 3.84Å; W1996-L2000 VanDerWaalsContact O-CB 3.25Å; W1996-L2000 WeakPolarHBondContact O-CB 3.41Å; W1996-L2000 PolarHBondContact O-N 3.09Å; W1996-I2038 HydrophobicContact CH2-CG2 3.36Å; W1996-I2038 HydrophobicContact CZ2-CG2 4.17Å; W1996-I2038 HydrophobicContact CZ3-CG2 4.14Å; W1996-E2039 HydrophobicContact CH2-CB 4.15Å; W1996-E2039 HydrophobicContact CH2-CG 3.84Å; W1996-E2039 HydrophobicContact CZ2-CB 4.36Å; W1996-E2039 HydrophobicContact CZ2-CG 3.87Å |
| 1997 | S | 88.8 | Confident | 87.7 | Confident | 60.8 Ų | 60.8 | 62 Ų | 62 | 43% | 0.425 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | -179.1 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | T1993 S1994 D1995 A2001 | T1993-S1997 PolarHBondContact O-N 3.21Å; T1993-S1997 VanDerWaalsContact O-N 3.14Å; T1993-S1997 PolarHBondContact O-OG 3.18Å; T1993-S1997 VanDerWaalsContact O-OG 3.09Å; S1994-S1997 PolarHBondContact O-OG 3.12Å; S1994-S1997 VanDerWaalsContact O-OG 3.07Å; D1995-S1997 VanDerWaalsContact C-N 3.35Å; D1995-S1997 PolarHBondContact O-N 3.2Å; S1997-A2001 VanDerWaalsContact O-CB 3.29Å; S1997-A2001 WeakPolarHBondContact O-CB 3.38Å; S1997-A2001 PolarHBondContact O-N 3.12Å |
| 1998 | K | 89.7 | Confident | 87.4 | Confident | 143.8 Ų | 143.8 | 63.8 Ų | 63.8 | 63% | 0.625 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.3 | -45.6 | 176 | -71.7 | 173.9 | -176.3 | 176.4 | 0 | 112.2 | S1994 D1995 W1996 A2001 R2002 | S1994-K1998 WeakPolarHBondContact O-CD 3.47Å; S1994-K1998 VanDerWaalsContact O-CG 3.29Å; S1994-K1998 WeakPolarHBondContact O-CG 3.4Å; S1994-K1998 PolarHBondContact O-N 3.07Å; D1995-K1998 PolarHBondContact O-N 3.16Å; W1996-K1998 VanDerWaalsContact C-N 3.34Å; W1996-K1998 PolarHBondContact O-N 3.1Å; K1998-A2001 PolarHBondContact O-N 3.13Å; K1998-R2002 WeakPolarHBondContact O-CB 3.42Å; K1998-R2002 PolarHBondContact O-N 3.23Å |
| 1999 | I | 89.2 | Confident | 86.9 | Confident | 39.6 Ų | 39.6 | 65.5 Ų | 65.5 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 179.1 | -66.4 | 161.3 | 0 | 0 | 0 | 109.9 | R1983 L1984 A1987 D1995 W1996 A2001 R2002 L2003 | R1983-I1999 HydrophobicContact CB-CD1 4.14Å; R1983-I1999 HydrophobicContact CB-CG2 4.45Å; L1984-I1999 HydrophobicContact CB-CG2 4.11Å; L1984-I1999 HydrophobicContact CD1-CB 4.41Å; L1984-I1999 HydrophobicContact CD1-CG2 4.13Å; A1987-I1999 HydrophobicContact CB-CD1 4.24Å; D1995-I1999 HydrophobicContact CB-CD1 4.37Å; D1995-I1999 WeakPolarHBondContact O-CB 3.35Å; D1995-I1999 WeakPolarHBondContact O-CD1 3.33Å; D1995-I1999 VanDerWaalsContact O-CG1 3.24Å; D1995-I1999 WeakPolarHBondContact O-CG1 3.41Å; D1995-I1999 PolarHBondContact O-N 3.21Å; W1996-I1999 PolarHBondContact O-N 3.21Å; I1999-A2001 VanDerWaalsContact C-N 3.34Å; I1999-A2001 PolarHBondContact O-N 3.32Å; I1999-R2002 PolarHBondContact O-N 3.03Å; I1999-L2003 HydrophobicContact CG2-CD1 4.07Å; I1999-L2003 HydrophobicContact CG2-CG 4.42Å; I1999-L2003 WeakPolarHBondContact O-CG 3.23Å; I1999-L2003 PolarHBondContact O-N 3.04Å |
| 2000 | L | 90.5 | Very high | 86.4 | Confident | 3.6 Ų | 3.6 | 65.4 Ų | 65.4 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 177.7 | -175.1 | 64.9 | 0 | 0 | 0 | 111.8 | L1984 W1996 R2002 L2003 R2004 L2035 E2039 | L1984-L2000 HydrophobicContact CD1-CB 4.02Å; L1984-L2000 HydrophobicContact CD1-CD1 4.36Å; L1984-L2000 HydrophobicContact CD2-CD1 4.19Å; W1996-L2000 HydrophobicContact CE3-CD2 4.41Å; W1996-L2000 HydrophobicContact CH2-CD2 3.5Å; W1996-L2000 VanDerWaalsContact CH2-CD2 3.41Å; W1996-L2000 HydrophobicContact CZ2-CD2 3.9Å; W1996-L2000 HydrophobicContact CZ3-CD2 3.84Å; W1996-L2000 VanDerWaalsContact O-CB 3.25Å; W1996-L2000 WeakPolarHBondContact O-CB 3.41Å; W1996-L2000 PolarHBondContact O-N 3.09Å; L2000-R2002 VanDerWaalsContact C-N 3.33Å; L2000-R2002 PolarHBondContact O-N 3.31Å; L2000-L2003 PolarHBondContact O-N 2.96Å; L2000-R2004 WeakPolarHBondContact O-CB 3.38Å; L2000-R2004 VanDerWaalsContact O-CG 3.3Å; L2000-R2004 WeakPolarHBondContact O-CG 3.42Å; L2000-R2004 PolarHBondContact O-N 3.15Å; L2000-R2004 VanDerWaalsContact O-N 3.09Å; L2000-L2035 HydrophobicContact CD1-CB 4.05Å; L2000-L2035 HydrophobicContact CD1-CD1 4.49Å; L2000-L2035 HydrophobicContact CD1-CD2 4.15Å; L2000-L2035 HydrophobicContact CD1-CG 4.46Å; L2000-E2039 HydrophobicContact CD2-CB 4.48Å; L2000-E2039 HydrophobicContact CD2-CG 4.14Å; L2000-E2039 WeakPolarHBondContact CD2-OE1 3.35Å |
| 2001 | A | 90.5 | Very high | 86.2 | Confident | 36.25 Ų | 36.25 | 63.9 Ų | 63.9 | 30% | 0.3 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1370 S1997 K1998 I1999 R2004 I2005 | L1370-A2001 HydrophobicContact CD1-CB 4.28Å; L1370-A2001 HydrophobicContact CD2-CB 3.89Å; L1370-A2001 VanDerWaalsContact CD2-O 3.28Å; L1370-A2001 WeakPolarHBondContact CD2-O 2.99Å; S1997-A2001 VanDerWaalsContact O-CB 3.29Å; S1997-A2001 WeakPolarHBondContact O-CB 3.38Å; S1997-A2001 PolarHBondContact O-N 3.12Å; K1998-A2001 PolarHBondContact O-N 3.13Å; I1999-A2001 VanDerWaalsContact C-N 3.34Å; I1999-A2001 PolarHBondContact O-N 3.32Å; A2001-R2004 WeakPolarHBondContact O-CB 3.5Å; A2001-R2004 PolarHBondContact O-N 3.21Å; A2001-I2005 WeakPolarHBondContact O-CD1 3.36Å; A2001-I2005 VanDerWaalsContact O-CG1 3.29Å; A2001-I2005 WeakPolarHBondContact O-CG1 3.43Å; A2001-I2005 PolarHBondContact O-N 3.02Å |
| 2002 | R | 88.8 | Confident | 86.1 | Confident | 146.5 Ų | 146.5 | 59.1 Ų | 59.1 | 55% | 0.553 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62 | -50 | 177.7 | -178.1 | 81.2 | 169.6 | -176.4 | -0.1 | 112 | L1972 K1998 I1999 L2000 R2004 I2005 D2006 | L1972-R2002 PolarHBondContact O-NH2 2.92Å; K1998-R2002 WeakPolarHBondContact O-CB 3.42Å; K1998-R2002 PolarHBondContact O-N 3.23Å; I1999-R2002 PolarHBondContact O-N 3.03Å; L2000-R2002 VanDerWaalsContact C-N 3.33Å; L2000-R2002 PolarHBondContact O-N 3.31Å; R2002-R2004 VanDerWaalsContact C-N 3.27Å; R2002-R2004 PolarHBondContact O-N 3.16Å; R2002-I2005 WeakPolarHBondContact O-CB 3.48Å; R2002-I2005 PolarHBondContact O-N 3.21Å; R2002-I2005 VanDerWaalsContact O-N 3.15Å; R2002-D2006 IonicContact CZ-OD1 3.69Å; R2002-D2006 VanDerWaalsContact CZ-OD1 3.31Å; R2002-D2006 IonicContact NE-OD1 3.04Å; R2002-D2006 PolarHBondContact NE-OD1 3.23Å; R2002-D2006 IonicContact NE-OD2 2.96Å; R2002-D2006 PolarHBondContact NE-OD2 3.06Å; R2002-D2006 IonicContact NH2-OD1 3.93Å; R2002-D2006 PolarHBondContact NH2-OD1 3.27Å; R2002-D2006 VanDerWaalsContact NH2-OD1 3.17Å; R2002-D2006 VanDerWaalsContact O-CG 3.3Å; R2002-D2006 PolarHBondContact O-N 3.25Å |
| 2003 | L | 89.2 | Confident | 85.7 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -38.7 | 177.8 | -71.4 | 173.9 | 0 | 0 | 0 | 112.1 | W1977 L1984 I1999 L2000 D2006 Q2007 L2035 | W1977-L2003 HydrophobicContact CE3-CD2 4.35Å; W1977-L2003 HydrophobicContact CZ3-CD2 4.42Å; L1984-L2003 HydrophobicContact CB-CD1 4.41Å; L1984-L2003 HydrophobicContact CD2-CD1 4.28Å; I1999-L2003 HydrophobicContact CG2-CD1 4.07Å; I1999-L2003 HydrophobicContact CG2-CG 4.42Å; I1999-L2003 WeakPolarHBondContact O-CG 3.23Å; I1999-L2003 PolarHBondContact O-N 3.04Å; L2000-L2003 PolarHBondContact O-N 2.96Å; L2003-D2006 PolarHBondContact O-N 2.98Å; L2003-Q2007 WeakPolarHBondContact O-CG 3.21Å; L2003-Q2007 PolarHBondContact O-N 3.29Å; L2003-Q2007 VanDerWaalsContact O-N 3.12Å; L2003-L2035 HydrophobicContact CB-CD1 3.96Å; L2003-L2035 HydrophobicContact CB-CD2 4.44Å; L2003-L2035 HydrophobicContact CD1-CD2 4.1Å |
| 2004 | R | 91.1 | Very high | 85.6 | Confident | 44.75 Ų | 44.75 | 48.2 Ų | 48.2 | 17% | 0.169 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 175.4 | -93.4 | 173.9 | -171 | 159.8 | -3.5 | 111.7 | L1370 A1373 L2000 A2001 R2002 D2006 Q2007 V2008 L2032 L2035 E2039 | L1370-R2004 HydrophobicContact CD2-CB 3.98Å; A1373-R2004 HydrophobicContact CB-CB 3.86Å; A1373-R2004 HydrophobicContact CB-CG 4.21Å; L2000-R2004 WeakPolarHBondContact O-CB 3.38Å; L2000-R2004 VanDerWaalsContact O-CG 3.3Å; L2000-R2004 WeakPolarHBondContact O-CG 3.42Å; L2000-R2004 PolarHBondContact O-N 3.15Å; L2000-R2004 VanDerWaalsContact O-N 3.09Å; A2001-R2004 WeakPolarHBondContact O-CB 3.5Å; A2001-R2004 PolarHBondContact O-N 3.21Å; R2002-R2004 VanDerWaalsContact C-N 3.27Å; R2002-R2004 PolarHBondContact O-N 3.16Å; R2004-D2006 VanDerWaalsContact C-N 3.29Å; R2004-D2006 PolarHBondContact O-N 3.04Å; R2004-Q2007 PolarHBondContact O-N 3.29Å; R2004-Q2007 VanDerWaalsContact O-N 3.14Å; R2004-V2008 WeakPolarHBondContact O-CB 3.39Å; R2004-V2008 VanDerWaalsContact O-CG2 3.25Å; R2004-V2008 WeakPolarHBondContact O-CG2 3.31Å; R2004-V2008 PolarHBondContact O-N 3.17Å; R2004-L2032 HydrophobicContact CB-CD2 4.45Å; R2004-L2032 HydrophobicContact CG-CD2 4.14Å; R2004-L2035 HydrophobicContact CG-CD1 3.95Å; R2004-E2039 IonicContact CZ-OE1 3.71Å; R2004-E2039 IonicContact CZ-OE2 3.39Å; R2004-E2039 IonicContact NH1-OE1 3.13Å; R2004-E2039 PolarHBondContact NH1-OE1 3.49Å; R2004-E2039 IonicContact NH1-OE2 3.5Å; R2004-E2039 VanDerWaalsContact NH2-CD 3.34Å; R2004-E2039 IonicContact NH2-OE1 3.31Å; R2004-E2039 IonicContact NH2-OE2 3.21Å; R2004-E2039 PolarHBondContact NH2-OE2 3.03Å |
| 2005 | I | 88.2 | Confident | 85.3 | Confident | 64.5 Ų | 64.5 | 46.9 Ų | 46.9 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 178.1 | -69.1 | 161.3 | 0 | 0 | 0 | 110.7 | E1366 L1370 A2001 R2002 Q2007 V2008 T2009 | E1366-I2005 HydrophobicContact CG-CD1 3.54Å; E1366-I2005 HydrophobicContact CG-CG1 4.19Å; E1366-I2005 WeakPolarHBondContact OE1-CD1 3.14Å; L1370-I2005 HydrophobicContact CD1-CD1 4.22Å; L1370-I2005 HydrophobicContact CD2-CD1 3.85Å; L1370-I2005 HydrophobicContact CD2-CG1 3.6Å; L1370-I2005 HydrophobicContact CG-CD1 4.04Å; L1370-I2005 HydrophobicContact CG-CG1 3.93Å; A2001-I2005 WeakPolarHBondContact O-CD1 3.36Å; A2001-I2005 VanDerWaalsContact O-CG1 3.29Å; A2001-I2005 WeakPolarHBondContact O-CG1 3.43Å; A2001-I2005 PolarHBondContact O-N 3.02Å; R2002-I2005 WeakPolarHBondContact O-CB 3.48Å; R2002-I2005 PolarHBondContact O-N 3.21Å; R2002-I2005 VanDerWaalsContact O-N 3.15Å; I2005-Q2007 VanDerWaalsContact C-N 3.3Å; I2005-Q2007 PolarHBondContact O-N 3.4Å; I2005-V2008 CarbonylContact O-C 3.56Å; I2005-V2008 WeakPolarHBondContact O-CA 3.44Å; I2005-V2008 WeakPolarHBondContact O-CB 3.28Å; I2005-V2008 PolarHBondContact O-N 3.09Å; I2005-V2008 VanDerWaalsContact O-N 3.11Å; I2005-T2009 HydrophobicContact CG2-CG2 4.4Å; I2005-T2009 WeakPolarHBondContact O-CG2 3.37Å; I2005-T2009 PolarHBondContact O-N 3.14Å; I2005-T2009 PolarHBondContact O-OG1 3.02Å |
| 2006 | D | 84.2 | Confident | 84.7 | Confident | 51.75 Ų | 51.75 | 46.7 Ų | 46.7 | 28% | 0.277 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.9 | -40.1 | 179.8 | -62.1 | -25.6 | 0 | 0 | 0 | 111.1 | R2002 L2003 R2004 V2008 T2009 E2010 | R2002-D2006 IonicContact CZ-OD1 3.69Å; R2002-D2006 VanDerWaalsContact CZ-OD1 3.31Å; R2002-D2006 IonicContact NE-OD1 3.04Å; R2002-D2006 PolarHBondContact NE-OD1 3.23Å; R2002-D2006 IonicContact NE-OD2 2.96Å; R2002-D2006 PolarHBondContact NE-OD2 3.06Å; R2002-D2006 IonicContact NH2-OD1 3.93Å; R2002-D2006 PolarHBondContact NH2-OD1 3.27Å; R2002-D2006 VanDerWaalsContact NH2-OD1 3.17Å; R2002-D2006 VanDerWaalsContact O-CG 3.3Å; R2002-D2006 PolarHBondContact O-N 3.25Å; L2003-D2006 PolarHBondContact O-N 2.98Å; R2004-D2006 VanDerWaalsContact C-N 3.29Å; R2004-D2006 PolarHBondContact O-N 3.04Å; D2006-V2008 PolarHBondContact O-N 3.3Å; D2006-T2009 WeakPolarHBondContact CA-OG1 3.4Å; D2006-T2009 PolarHBondContact O-N 3.39Å; D2006-T2009 PolarHBondContact O-OG1 3.19Å; D2006-T2009 VanDerWaalsContact O-OG1 3.09Å; D2006-E2010 PolarHBondContact O-N 3.18Å |
| 2007 | Q | 87.5 | Confident | 83.8 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.1 | -32.5 | 174.5 | -62.8 | -45.5 | -70.3 | 0 | 0 | 113.2 | W1977 L2003 R2004 I2005 T2009 E2010 L2011 T2028 R2031 L2032 | W1977-Q2007 HydrophobicContact CE3-CG 4.44Å; W1977-Q2007 HydrophobicContact CZ3-CG 4.13Å; L2003-Q2007 WeakPolarHBondContact O-CG 3.21Å; L2003-Q2007 PolarHBondContact O-N 3.29Å; L2003-Q2007 VanDerWaalsContact O-N 3.12Å; R2004-Q2007 PolarHBondContact O-N 3.29Å; R2004-Q2007 VanDerWaalsContact O-N 3.14Å; I2005-Q2007 VanDerWaalsContact C-N 3.3Å; I2005-Q2007 PolarHBondContact O-N 3.4Å; Q2007-T2009 VanDerWaalsContact C-N 3.3Å; Q2007-T2009 PolarHBondContact O-N 2.98Å; Q2007-E2010 PolarHBondContact O-N 3.1Å; Q2007-L2011 VanDerWaalsContact O-CB 3.28Å; Q2007-L2011 WeakPolarHBondContact O-CB 3.43Å; Q2007-L2011 PolarHBondContact O-N 3.14Å; Q2007-L2011 VanDerWaalsContact O-N 3.16Å; Q2007-T2028 HydrophobicContact CB-CG2 3.77Å; Q2007-T2028 HydrophobicContact CG-CG2 4.39Å; Q2007-T2028 VanDerWaalsContact O-CG2 3.32Å; Q2007-T2028 WeakPolarHBondContact O-CG2 3.34Å; Q2007-R2031 HydrophobicContact CG-CB 4.36Å; Q2007-L2032 HydrophobicContact CB-CD1 4.46Å; Q2007-L2032 HydrophobicContact CB-CD2 3.82Å; Q2007-L2032 HydrophobicContact CB-CG 4Å; Q2007-L2032 HydrophobicContact CG-CD2 4.29Å; Q2007-L2032 HydrophobicContact CG-CG 4.38Å |
| 2008 | V | 85.5 | Confident | 82.8 | Confident | 43 Ų | 43 | 45 Ų | 45 | 26% | 0.261 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.1 | -33 | 178.7 | 167.9 | 0 | 0 | 0 | 0 | 112 | L1360 R1369 A1373 R2004 I2005 D2006 E2010 L2011 G2012 L2032 | L1360-V2008 HydrophobicContact CD1-CG1 3.3Å; L1360-V2008 HydrophobicContact CD1-CG2 4.43Å; L1360-V2008 HydrophobicContact CD2-CG1 4.02Å; L1360-V2008 HydrophobicContact CG-CG1 4.15Å; R1369-V2008 HydrophobicContact CB-CG1 4.11Å; R1369-V2008 HydrophobicContact CG-CG1 4.38Å; A1373-V2008 HydrophobicContact CB-CG2 3.53Å; R2004-V2008 WeakPolarHBondContact O-CB 3.39Å; R2004-V2008 VanDerWaalsContact O-CG2 3.25Å; R2004-V2008 WeakPolarHBondContact O-CG2 3.31Å; R2004-V2008 PolarHBondContact O-N 3.17Å; I2005-V2008 CarbonylContact O-C 3.56Å; I2005-V2008 WeakPolarHBondContact O-CA 3.44Å; I2005-V2008 WeakPolarHBondContact O-CB 3.28Å; I2005-V2008 PolarHBondContact O-N 3.09Å; I2005-V2008 VanDerWaalsContact O-N 3.11Å; D2006-V2008 PolarHBondContact O-N 3.3Å; V2008-E2010 VanDerWaalsContact C-N 3.35Å; V2008-L2011 WeakPolarHBondContact O-CB 3.4Å; V2008-L2011 PolarHBondContact O-N 3.06Å; V2008-G2012 PolarHBondContact O-N 3.06Å; V2008-L2032 HydrophobicContact CG2-CD1 4.46Å; V2008-L2032 HydrophobicContact CG2-CD2 4.48Å |
| 2009 | T | 79.5 | Confident | 81.5 | Confident | 58.5 Ų | 58.5 | 41.9 Ų | 41.9 | 36% | 0.359 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65 | -42.7 | 177 | 58 | 0 | 0 | 0 | 0 | 112 | I2005 D2006 Q2007 G2012 A2013 | I2005-T2009 HydrophobicContact CG2-CG2 4.4Å; I2005-T2009 WeakPolarHBondContact O-CG2 3.37Å; I2005-T2009 PolarHBondContact O-N 3.14Å; I2005-T2009 PolarHBondContact O-OG1 3.02Å; D2006-T2009 WeakPolarHBondContact CA-OG1 3.4Å; D2006-T2009 PolarHBondContact O-N 3.39Å; D2006-T2009 PolarHBondContact O-OG1 3.19Å; D2006-T2009 VanDerWaalsContact O-OG1 3.09Å; Q2007-T2009 VanDerWaalsContact C-N 3.3Å; Q2007-T2009 PolarHBondContact O-N 2.98Å; T2009-G2012 PolarHBondContact O-N 3.32Å; T2009-A2013 PolarHBondContact O-N 3.19Å |
| 2010 | E | 77.3 | Confident | 80.3 | Confident | 88 Ų | 88 | 40.8 Ų | 40.8 | 41% | 0.411 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 173.5 | -118.4 | -176.5 | 177 | 0 | 0 | 111.5 | D2006 Q2007 V2008 G2012 A2013 A2014 T2028 R2031 | D2006-E2010 PolarHBondContact O-N 3.18Å; Q2007-E2010 PolarHBondContact O-N 3.1Å; V2008-E2010 VanDerWaalsContact C-N 3.35Å; E2010-G2012 VanDerWaalsContact C-N 3.32Å; E2010-G2012 PolarHBondContact O-N 3.27Å; E2010-A2013 PolarHBondContact O-N 2.93Å; E2010-A2014 WeakPolarHBondContact O-CB 3.43Å; E2010-A2014 PolarHBondContact O-N 3.38Å; E2010-A2014 VanDerWaalsContact O-N 3.13Å; E2010-T2028 HydrophobicContact CB-CG2 4.27Å; E2010-T2028 PolarHBondContact OE2-OG1 2.95Å; E2010-R2031 IonicContact OE1-NH1 3.82Å; E2010-R2031 PolarHBondContact OE1-NH1 3.08Å; E2010-R2031 IonicContact OE2-NH1 3.16Å; E2010-R2031 PolarHBondContact OE2-NH1 3.05Å |
| 2011 | L | 83.4 | Confident | 79.5 | Confident | 28.25 Ų | 28.25 | 40.7 Ų | 40.7 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64 | -34.7 | 177.6 | -175.8 | 62.8 | 0 | 0 | 0 | 112.7 | L1357 L1360 L1376 Q2007 V2008 A2013 A2014 A2015 A2025 T2028 I2029 L2032 | L1357-L2011 HydrophobicContact CD2-CD1 3.88Å; L1357-L2011 HydrophobicContact CD2-CD2 4.03Å; L1357-L2011 HydrophobicContact CD2-CG 4.15Å; L1360-L2011 HydrophobicContact CD2-CB 4.25Å; L1360-L2011 HydrophobicContact CD2-CD2 3.65Å; L1360-L2011 HydrophobicContact CD2-CG 3.8Å; L1376-L2011 HydrophobicContact CD1-CD2 3.5Å; Q2007-L2011 VanDerWaalsContact O-CB 3.28Å; Q2007-L2011 WeakPolarHBondContact O-CB 3.43Å; Q2007-L2011 PolarHBondContact O-N 3.14Å; Q2007-L2011 VanDerWaalsContact O-N 3.16Å; V2008-L2011 WeakPolarHBondContact O-CB 3.4Å; V2008-L2011 PolarHBondContact O-N 3.06Å; L2011-A2013 VanDerWaalsContact C-N 3.3Å; L2011-A2013 PolarHBondContact O-N 3.21Å; L2011-A2014 PolarHBondContact O-N 3.23Å; L2011-A2014 VanDerWaalsContact O-N 3.1Å; L2011-A2015 WeakPolarHBondContact O-CB 3.35Å; L2011-A2015 PolarHBondContact O-N 3.1Å; L2011-A2025 HydrophobicContact CD1-CB 3.4Å; L2011-A2025 VanDerWaalsContact CD1-CB 3.44Å; L2011-T2028 HydrophobicContact CB-CG2 4.31Å; L2011-I2029 HydrophobicContact CD1-CD1 4.41Å; L2011-I2029 HydrophobicContact CD1-CG1 4.29Å; L2011-L2032 HydrophobicContact CD2-CD1 4.37Å |
| 2012 | G | 79.4 | Confident | 79.1 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 22% | 0.216 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -40 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1635 V2008 T2009 E2010 A2014 A2015 L2016 | L1635-G2012 VanDerWaalsContact CD2-C 3.47Å; L1635-G2012 WeakPolarHBondContact CD2-O 3.41Å; V2008-G2012 PolarHBondContact O-N 3.06Å; T2009-G2012 PolarHBondContact O-N 3.32Å; E2010-G2012 VanDerWaalsContact C-N 3.32Å; E2010-G2012 PolarHBondContact O-N 3.27Å; G2012-A2014 VanDerWaalsContact C-N 3.33Å; G2012-A2014 PolarHBondContact O-N 2.8Å; G2012-A2015 PolarHBondContact O-N 3.17Å; G2012-L2016 WeakPolarHBondContact O-CG 3.35Å; G2012-L2016 PolarHBondContact O-N 2.97Å |
| 2013 | A | 76.3 | Confident | 78.6 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.6 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1634 L1635 Q1638 T2009 E2010 L2011 A2015 L2016 R2024 | P1634-A2013 HydrophobicContact CB-CB 3.57Å; P1634-A2013 VanDerWaalsContact CB-CB 3.43Å; L1635-A2013 HydrophobicContact CD2-CB 4.14Å; Q1638-A2013 WeakPolarHBondContact CG-O 3.22Å; T2009-A2013 PolarHBondContact O-N 3.19Å; E2010-A2013 PolarHBondContact O-N 2.93Å; L2011-A2013 VanDerWaalsContact C-N 3.3Å; L2011-A2013 PolarHBondContact O-N 3.21Å; A2013-A2015 VanDerWaalsContact C-N 3.33Å; A2013-L2016 PolarHBondContact O-N 3.06Å; A2013-R2024 PolarHBondContact O-NH1 3.07Å |
| 2014 | A | 79.3 | Confident | 78.1 | Confident | 2.25 Ų | 2.25 | 41.9 Ų | 41.9 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | E2010 L2011 G2012 L2016 E2017 G2021 R2024 A2025 | E2010-A2014 WeakPolarHBondContact O-CB 3.43Å; E2010-A2014 PolarHBondContact O-N 3.38Å; E2010-A2014 VanDerWaalsContact O-N 3.13Å; L2011-A2014 PolarHBondContact O-N 3.23Å; L2011-A2014 VanDerWaalsContact O-N 3.1Å; G2012-A2014 VanDerWaalsContact C-N 3.33Å; G2012-A2014 PolarHBondContact O-N 2.8Å; A2014-L2016 PolarHBondContact O-N 3.14Å; A2014-E2017 WeakPolarHBondContact O-CB 3.36Å; A2014-E2017 PolarHBondContact O-N 3.12Å; A2014-E2017 VanDerWaalsContact O-N 3.09Å; A2014-G2021 VanDerWaalsContact O-CA 3.24Å; A2014-G2021 WeakPolarHBondContact O-CA 3.34Å; A2014-R2024 HydrophobicContact CB-CB 4.27Å; A2014-R2024 HydrophobicContact CB-CG 4.05Å; A2014-A2025 HydrophobicContact CB-CB 3.87Å |
| 2015 | A | 78.1 | Confident | 77.7 | Confident | 35.5 Ų | 35.5 | 39.9 Ų | 39.9 | 29% | 0.293 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.1 | -29.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1357 L1360 T1361 L2011 G2012 A2013 E2017 G2018 | L1357-A2015 HydrophobicContact CB-CB 4.11Å; L1357-A2015 HydrophobicContact CD2-CB 4.14Å; L1360-A2015 HydrophobicContact CD2-CB 4.32Å; T1361-A2015 HydrophobicContact CG2-CB 3.73Å; L2011-A2015 WeakPolarHBondContact O-CB 3.35Å; L2011-A2015 PolarHBondContact O-N 3.1Å; G2012-A2015 PolarHBondContact O-N 3.17Å; A2013-A2015 VanDerWaalsContact C-N 3.33Å; A2015-E2017 PolarHBondContact O-N 2.97Å; A2015-G2018 PolarHBondContact O-N 3.19Å; A2015-G2018 VanDerWaalsContact O-N 3.16Å |
| 2016 | L | 73.3 | Confident | 77.6 | Confident | 53.5 Ų | 53.5 | 37.6 Ų | 37.6 | 28% | 0.28 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -15.3 | 176 | -71.3 | 171.8 | 0 | 0 | 0 | 113.8 | T1361 R1563 L1635 Q1638 G2012 A2013 A2014 G2018 | T1361-L2016 HydrophobicContact CG2-CD2 3.81Å; T1361-L2016 HydrophobicContact CG2-CG 4.02Å; R1563-L2016 VanDerWaalsContact NH1-CD2 3.31Å; L1635-L2016 HydrophobicContact CB-CD1 4.15Å; L1635-L2016 HydrophobicContact CD2-CD1 3.61Å; L1635-L2016 HydrophobicContact CD2-CG 4.23Å; L1635-L2016 HydrophobicContact CG-CD1 4.47Å; Q1638-L2016 HydrophobicContact CB-CB 4.47Å; Q1638-L2016 HydrophobicContact CB-CD1 4.11Å; Q1638-L2016 HydrophobicContact CG-CB 3.62Å; Q1638-L2016 HydrophobicContact CG-CD1 4.05Å; Q1638-L2016 HydrophobicContact CG-CG 4.44Å; G2012-L2016 WeakPolarHBondContact O-CG 3.35Å; G2012-L2016 PolarHBondContact O-N 2.97Å; A2013-L2016 PolarHBondContact O-N 3.06Å; A2014-L2016 PolarHBondContact O-N 3.14Å; L2016-G2018 VanDerWaalsContact C-N 3.29Å; L2016-G2018 PolarHBondContact O-N 2.96Å |
| 2017 | E | 70 | Confident | 77.7 | Confident | 34.25 Ų | 34.25 | 38.3 Ų | 38.3 | 16% | 0.16 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -4.2 | 174.1 | -86.4 | 173 | 175.3 | 0 | 0 | 112.8 | Q1638 S1714 R1717 A2014 A2015 R2024 N2685 | Q1638-E2017 HydrophobicContact CG-CG 4.34Å; Q1638-E2017 PolarHBondContact NE2-OE1 3.15Å; Q1638-E2017 VanDerWaalsContact NE2-OE1 3.13Å; Q1638-E2017 PolarHBondContact OE1-OE1 3.41Å; Q1638-E2017 VanDerWaalsContact OE1-OE1 3.1Å; S1714-E2017 PolarHBondContact OG-OE1 3.42Å; R1717-E2017 IonicContact CZ-OE1 3.14Å; R1717-E2017 IonicContact NH1-OE1 3.42Å; R1717-E2017 PolarHBondContact NH1-OE1 2.96Å; R1717-E2017 IonicContact NH1-OE2 3.67Å; R1717-E2017 IonicContact NH2-OE1 3.03Å; A2014-E2017 WeakPolarHBondContact O-CB 3.36Å; A2014-E2017 PolarHBondContact O-N 3.12Å; A2014-E2017 VanDerWaalsContact O-N 3.09Å; A2015-E2017 PolarHBondContact O-N 2.97Å; E2017-R2024 VanDerWaalsContact CD-NH1 3.32Å; E2017-R2024 IonicContact OE1-CZ 3.87Å; E2017-R2024 IonicContact OE1-NH1 3.53Å; E2017-R2024 PolarHBondContact OE1-NH1 3.31Å; E2017-R2024 VanDerWaalsContact OE2-CD 3.31Å; E2017-R2024 WeakPolarHBondContact OE2-CD 3.37Å; E2017-R2024 IonicContact OE2-NH1 3.28Å; E2017-R2024 PolarHBondContact OE2-NH1 2.97Å; E2017-N2685 PolarHBondContact O-ND2 2.99Å |
| 2018 | G | 67.9 | Low | 77.7 | Confident | 30.25 Ų | 30.25 | 38.2 Ų | 38.2 | 31% | 0.312 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | 70.3 | -139.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2015 L2016 G2020 G2021 | A2015-G2018 PolarHBondContact O-N 3.19Å; A2015-G2018 VanDerWaalsContact O-N 3.16Å; L2016-G2018 VanDerWaalsContact C-N 3.29Å; L2016-G2018 PolarHBondContact O-N 2.96Å; G2018-G2020 VanDerWaalsContact C-N 3.26Å; G2018-G2020 PolarHBondContact O-N 3.02Å; G2018-G2020 VanDerWaalsContact O-N 3.1Å; G2018-G2021 WeakPolarHBondContact O-CA 3.36Å; G2018-G2021 PolarHBondContact O-N 3.14Å |
| 2019 | P | 62.4 | Low | 77.9 | Confident | 78.75 Ų | 78.75 | 37.5 Ų | 37.5 | 51% | 0.511 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -61.8 | -26.8 | -172.9 | 22.2 | -31.1 | 0 | 0 | 0 | 113.9 | A1354 S1390 G2021 Y2022 | A1354-P2019 HydrophobicContact CB-CB 4.23Å; S1390-P2019 WeakPolarHBondContact O-CB 3Å; S1390-P2019 WeakPolarHBondContact O-CG 3.32Å; P2019-G2021 VanDerWaalsContact C-N 3.33Å; P2019-G2021 PolarHBondContact O-N 2.86Å; P2019-Y2022 PolarHBondContact O-N 3.26Å |
| 2020 | G | 64.9 | Low | 78.5 | Confident | 17 Ų | 17 | 35.5 Ų | 35.5 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -71.7 | -19.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G2018 Y2022 I2023 | G2018-G2020 VanDerWaalsContact C-N 3.26Å; G2018-G2020 PolarHBondContact O-N 3.02Å; G2018-G2020 VanDerWaalsContact O-N 3.1Å; G2020-Y2022 VanDerWaalsContact C-N 3.32Å; G2020-Y2022 PolarHBondContact O-N 3.03Å; G2020-I2023 PolarHBondContact O-N 2.95Å |
| 2021 | G | 73.8 | Confident | 79.2 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -23.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A2014 G2018 P2019 I2023 R2024 A2025 | A2014-G2021 VanDerWaalsContact O-CA 3.24Å; A2014-G2021 WeakPolarHBondContact O-CA 3.34Å; G2018-G2021 WeakPolarHBondContact O-CA 3.36Å; G2018-G2021 PolarHBondContact O-N 3.14Å; P2019-G2021 VanDerWaalsContact C-N 3.33Å; P2019-G2021 PolarHBondContact O-N 2.86Å; G2021-I2023 VanDerWaalsContact C-N 3.31Å; G2021-I2023 PolarHBondContact O-N 3.25Å; G2021-R2024 PolarHBondContact O-N 3.36Å; G2021-A2025 WeakPolarHBondContact O-CB 3.29Å; G2021-A2025 PolarHBondContact O-N 3.27Å |
| 2022 | Y | 81.1 | Confident | 79.7 | Confident | 71.5 Ų | 71.5 | 34.5 Ų | 34.5 | 28% | 0.28 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62 | -38.2 | 179.5 | -177.6 | -97 | 0 | 0 | 0 | 112.8 | V1353 L1357 V1382 P1384 L1387 L1389 P2019 G2020 A2025 Y2026 I2029 | V1353-Y2022 HydrophobicContact CG1-CD2 3.29Å; V1353-Y2022 HydrophobicContact CG1-CE2 3.6Å; V1353-Y2022 HydrophobicContact CG1-CG 4.17Å; L1357-Y2022 HydrophobicContact CD1-CD2 4.5Å; V1382-Y2022 PolarHBondContact N-OH 3.49Å; V1382-Y2022 VanDerWaalsContact N-OH 3.17Å; V1382-Y2022 WeakPolarHBondContact O-CE1 3.46Å; V1382-Y2022 PolarHBondContact O-OH 3.38Å; P1384-Y2022 HydrophobicContact CB-CD1 4.26Å; P1384-Y2022 HydrophobicContact CB-CE1 4.44Å; P1384-Y2022 HydrophobicContact CG-CD1 3.96Å; P1384-Y2022 HydrophobicContact CG-CE1 3.92Å; L1387-Y2022 HydrophobicContact CD1-CD1 4.24Å; L1387-Y2022 HydrophobicContact CD1-CE1 3.76Å; L1389-Y2022 HydrophobicContact CD1-CD1 3.73Å; L1389-Y2022 HydrophobicContact CD1-CG 4.03Å; P2019-Y2022 PolarHBondContact O-N 3.26Å; G2020-Y2022 VanDerWaalsContact C-N 3.32Å; G2020-Y2022 PolarHBondContact O-N 3.03Å; Y2022-A2025 PolarHBondContact O-N 3.09Å; Y2022-Y2026 AromaticContact CE1-CD2 3.91Å; Y2022-Y2026 HydrophobicContact CE1-CD2 3.93Å; Y2022-Y2026 HydrophobicContact CE1-CE2 4.42Å; Y2022-Y2026 HydrophobicContact CE2-CD2 4.47Å; Y2022-Y2026 AromaticContact CZ-CD2 3.81Å; Y2022-Y2026 PolarHBondContact O-N 2.9Å; Y2022-Y2026 VanDerWaalsContact O-N 3.09Å; Y2022-Y2026 WeakPolarHBondContact OH-CE2 3.27Å; Y2022-I2029 HydrophobicContact CD2-CD1 3.59Å; Y2022-I2029 HydrophobicContact CE2-CD1 3.49Å; Y2022-I2029 HydrophobicContact CE2-CG2 4.39Å; Y2022-I2029 HydrophobicContact CG-CD1 4.29Å |
| 2023 | I | 78.4 | Confident | 80.3 | Confident | 99.75 Ų | 99.75 | 34.6 Ų | 34.6 | 51% | 0.512 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 179.9 | -63.5 | 170.5 | 0 | 0 | 0 | 110 | P1384 G2020 G2021 A2025 Y2026 | P1384-I2023 HydrophobicContact CB-CG1 3.89Å; P1384-I2023 HydrophobicContact CG-CG1 4.31Å; G2020-I2023 PolarHBondContact O-N 2.95Å; G2021-I2023 VanDerWaalsContact C-N 3.31Å; G2021-I2023 PolarHBondContact O-N 3.25Å; I2023-A2025 VanDerWaalsContact C-N 3.32Å; I2023-Y2026 WeakPolarHBondContact O-CB 3.38Å; I2023-Y2026 PolarHBondContact O-N 3.02Å |
| 2024 | R | 78.6 | Confident | 81.1 | Confident | 43.25 Ų | 43.25 | 34.8 Ų | 34.8 | 16% | 0.163 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 175.9 | 177.7 | 179.4 | 170.2 | -171.6 | -3 | 112 | C1712 G1713 A2013 A2014 E2017 G2021 Y2026 | C1712-R2024 PolarHBondContact O-NE 3.07Å; C1712-R2024 PolarHBondContact O-NH2 3.27Å; G1713-R2024 WeakPolarHBondContact O-CG 3.43Å; G1713-R2024 PolarHBondContact O-NE 3.11Å; A2013-R2024 PolarHBondContact O-NH1 3.07Å; A2014-R2024 HydrophobicContact CB-CB 4.27Å; A2014-R2024 HydrophobicContact CB-CG 4.05Å; E2017-R2024 VanDerWaalsContact CD-NH1 3.32Å; E2017-R2024 IonicContact OE1-CZ 3.87Å; E2017-R2024 IonicContact OE1-NH1 3.53Å; E2017-R2024 PolarHBondContact OE1-NH1 3.31Å; E2017-R2024 VanDerWaalsContact OE2-CD 3.31Å; E2017-R2024 WeakPolarHBondContact OE2-CD 3.37Å; E2017-R2024 IonicContact OE2-NH1 3.28Å; E2017-R2024 PolarHBondContact OE2-NH1 2.97Å; G2021-R2024 PolarHBondContact O-N 3.36Å; R2024-Y2026 VanDerWaalsContact C-N 3.26Å; R2024-Y2026 PolarHBondContact O-N 3.2Å |
| 2025 | A | 83.7 | Confident | 81.8 | Confident | 2.5 Ų | 2.5 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.9 | -6.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L2011 A2014 G2021 Y2022 I2023 D2027 T2028 I2029 | L2011-A2025 HydrophobicContact CD1-CB 3.4Å; L2011-A2025 VanDerWaalsContact CD1-CB 3.44Å; A2014-A2025 HydrophobicContact CB-CB 3.87Å; G2021-A2025 WeakPolarHBondContact O-CB 3.29Å; G2021-A2025 PolarHBondContact O-N 3.27Å; Y2022-A2025 PolarHBondContact O-N 3.09Å; I2023-A2025 VanDerWaalsContact C-N 3.32Å; A2025-D2027 VanDerWaalsContact C-N 3.33Å; A2025-D2027 PolarHBondContact O-N 3.22Å; A2025-D2027 VanDerWaalsContact O-N 3.13Å; A2025-T2028 CarbonylContact O-C 3.46Å; A2025-T2028 WeakPolarHBondContact O-CB 3.33Å; A2025-T2028 PolarHBondContact O-N 3.15Å; A2025-T2028 VanDerWaalsContact O-N 3.11Å; A2025-T2028 PolarHBondContact O-OG1 3.12Å; A2025-I2029 HydrophobicContact CB-CD1 3.93Å; A2025-I2029 HydrophobicContact CB-CG1 4.31Å; A2025-I2029 VanDerWaalsContact O-CG1 3.26Å; A2025-I2029 WeakPolarHBondContact O-CG1 3.43Å; A2025-I2029 PolarHBondContact O-N 3.09Å |
| 2026 | Y | 86.3 | Confident | 82.5 | Confident | 17 Ų | 17 | 34 Ų | 34 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.1 | -44.6 | -165 | -172.2 | -102.3 | 0 | 0 | 0 | 112.8 | A1381 V1382 P1384 Y2022 I2023 R2024 T2028 I2029 V2030 R2084 T2089 | A1381-Y2026 HydrophobicContact CB-CE2 4.04Å; A1381-Y2026 PolarHBondContact O-OH 3.1Å; V1382-Y2026 VanDerWaalsContact O-CE2 3.28Å; V1382-Y2026 WeakPolarHBondContact O-CE2 3.24Å; P1384-Y2026 HydrophobicContact CG-CD2 3.95Å; P1384-Y2026 HydrophobicContact CG-CE2 4.41Å; P1384-Y2026 HydrophobicContact CG-CG 4.44Å; Y2022-Y2026 AromaticContact CE1-CD2 3.91Å; Y2022-Y2026 HydrophobicContact CE1-CD2 3.93Å; Y2022-Y2026 HydrophobicContact CE1-CE2 4.42Å; Y2022-Y2026 HydrophobicContact CE2-CD2 4.47Å; Y2022-Y2026 AromaticContact CZ-CD2 3.81Å; Y2022-Y2026 PolarHBondContact O-N 2.9Å; Y2022-Y2026 VanDerWaalsContact O-N 3.09Å; Y2022-Y2026 WeakPolarHBondContact OH-CE2 3.27Å; I2023-Y2026 WeakPolarHBondContact O-CB 3.38Å; I2023-Y2026 PolarHBondContact O-N 3.02Å; R2024-Y2026 VanDerWaalsContact C-N 3.26Å; R2024-Y2026 PolarHBondContact O-N 3.2Å; Y2026-T2028 VanDerWaalsContact C-N 3.3Å; Y2026-T2028 PolarHBondContact O-N 3.22Å; Y2026-I2029 CarbonylContact O-C 3.56Å; Y2026-I2029 WeakPolarHBondContact O-CA 3.46Å; Y2026-I2029 WeakPolarHBondContact O-CB 3.3Å; Y2026-I2029 PolarHBondContact O-N 3.15Å; Y2026-I2029 VanDerWaalsContact O-N 3.14Å; Y2026-V2030 HydrophobicContact CD1-CG2 4.01Å; Y2026-V2030 HydrophobicContact CE1-CG2 3.61Å; Y2026-V2030 HydrophobicContact CE2-CG2 4.44Å; Y2026-V2030 VanDerWaalsContact O-CG2 3.3Å; Y2026-V2030 WeakPolarHBondContact O-CG2 3.27Å; Y2026-V2030 PolarHBondContact O-N 3.17Å; Y2026-R2084 HydrophobicContact CE1-CB 3.79Å; Y2026-R2084 VanDerWaalsContact OH-CB 3.27Å; Y2026-R2084 WeakPolarHBondContact OH-CB 3.3Å; Y2026-R2084 PolarHBondContact OH-N 3.3Å; Y2026-T2089 HydrophobicContact CD1-CG2 4.33Å; Y2026-T2089 HydrophobicContact CE1-CG2 3.86Å |
| 2027 | D | 84.9 | Confident | 83.4 | Confident | 66.25 Ų | 66.25 | 31.6 Ų | 31.6 | 35% | 0.354 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 179.4 | -66.2 | -19.7 | 0 | 0 | 0 | 112.2 | A2025 I2029 V2030 R2031 | A2025-D2027 VanDerWaalsContact C-N 3.33Å; A2025-D2027 PolarHBondContact O-N 3.22Å; A2025-D2027 VanDerWaalsContact O-N 3.13Å; D2027-I2029 VanDerWaalsContact C-N 3.31Å; D2027-I2029 PolarHBondContact O-N 3.25Å; D2027-V2030 WeakPolarHBondContact O-CB 3.43Å; D2027-V2030 PolarHBondContact O-N 2.88Å; D2027-R2031 WeakPolarHBondContact O-CB 3.33Å; D2027-R2031 VanDerWaalsContact O-CG 3.29Å; D2027-R2031 WeakPolarHBondContact O-CG 3.33Å; D2027-R2031 PolarHBondContact O-N 3.09Å |
| 2028 | T | 87.7 | Confident | 84.4 | Confident | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 173.2 | -25.2 | 0 | 0 | 0 | 0 | 111.3 | Q2007 E2010 L2011 A2025 Y2026 R2031 L2032 | Q2007-T2028 HydrophobicContact CB-CG2 3.77Å; Q2007-T2028 HydrophobicContact CG-CG2 4.39Å; Q2007-T2028 VanDerWaalsContact O-CG2 3.32Å; Q2007-T2028 WeakPolarHBondContact O-CG2 3.34Å; E2010-T2028 HydrophobicContact CB-CG2 4.27Å; E2010-T2028 PolarHBondContact OE2-OG1 2.95Å; L2011-T2028 HydrophobicContact CB-CG2 4.31Å; A2025-T2028 CarbonylContact O-C 3.46Å; A2025-T2028 WeakPolarHBondContact O-CB 3.33Å; A2025-T2028 PolarHBondContact O-N 3.15Å; A2025-T2028 VanDerWaalsContact O-N 3.11Å; A2025-T2028 PolarHBondContact O-OG1 3.12Å; Y2026-T2028 VanDerWaalsContact C-N 3.3Å; Y2026-T2028 PolarHBondContact O-N 3.22Å; T2028-R2031 WeakPolarHBondContact O-CB 3.42Å; T2028-R2031 PolarHBondContact O-N 3.08Å; T2028-L2032 WeakPolarHBondContact O-CG 3.27Å; T2028-L2032 PolarHBondContact O-N 3.02Å |
| 2029 | I | 90.6 | Very high | 85.6 | Confident | 28.5 Ų | 28.5 | 30.8 Ų | 30.8 | 15% | 0.146 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.6 | -39 | 176.1 | -65.2 | 169 | 0 | 0 | 0 | 110.7 | A1381 L2011 Y2022 A2025 Y2026 D2027 R2031 L2032 S2033 | A1381-I2029 HydrophobicContact CB-CG2 4.14Å; L2011-I2029 HydrophobicContact CD1-CD1 4.41Å; L2011-I2029 HydrophobicContact CD1-CG1 4.29Å; Y2022-I2029 HydrophobicContact CD2-CD1 3.59Å; Y2022-I2029 HydrophobicContact CE2-CD1 3.49Å; Y2022-I2029 HydrophobicContact CE2-CG2 4.39Å; Y2022-I2029 HydrophobicContact CG-CD1 4.29Å; A2025-I2029 HydrophobicContact CB-CD1 3.93Å; A2025-I2029 HydrophobicContact CB-CG1 4.31Å; A2025-I2029 VanDerWaalsContact O-CG1 3.26Å; A2025-I2029 WeakPolarHBondContact O-CG1 3.43Å; A2025-I2029 PolarHBondContact O-N 3.09Å; Y2026-I2029 CarbonylContact O-C 3.56Å; Y2026-I2029 WeakPolarHBondContact O-CA 3.46Å; Y2026-I2029 WeakPolarHBondContact O-CB 3.3Å; Y2026-I2029 PolarHBondContact O-N 3.15Å; Y2026-I2029 VanDerWaalsContact O-N 3.14Å; D2027-I2029 VanDerWaalsContact C-N 3.31Å; D2027-I2029 PolarHBondContact O-N 3.25Å; I2029-R2031 VanDerWaalsContact C-N 3.31Å; I2029-R2031 PolarHBondContact O-N 2.92Å; I2029-L2032 PolarHBondContact O-N 3.15Å; I2029-S2033 VanDerWaalsContact O-CB 3.23Å; I2029-S2033 WeakPolarHBondContact O-CB 3.26Å; I2029-S2033 PolarHBondContact O-N 3.1Å |
| 2030 | V | 91.3 | Very high | 86.9 | Confident | 18 Ų | 18 | 28 Ų | 28 | 11% | 0.109 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.2 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | A1381 Y2026 D2027 S2033 S2034 T2089 V2093 | A1381-V2030 HydrophobicContact CB-CB 4.23Å; A1381-V2030 HydrophobicContact CB-CG2 3.53Å; Y2026-V2030 HydrophobicContact CD1-CG2 4.01Å; Y2026-V2030 HydrophobicContact CE1-CG2 3.61Å; Y2026-V2030 HydrophobicContact CE2-CG2 4.44Å; Y2026-V2030 VanDerWaalsContact O-CG2 3.3Å; Y2026-V2030 WeakPolarHBondContact O-CG2 3.27Å; Y2026-V2030 PolarHBondContact O-N 3.17Å; D2027-V2030 WeakPolarHBondContact O-CB 3.43Å; D2027-V2030 PolarHBondContact O-N 2.88Å; V2030-S2033 WeakPolarHBondContact O-CB 3.43Å; V2030-S2033 PolarHBondContact O-N 3.04Å; V2030-S2034 WeakPolarHBondContact O-CB 3.38Å; V2030-S2034 PolarHBondContact O-N 3.24Å; V2030-S2034 PolarHBondContact O-OG 3.19Å; V2030-T2089 HydrophobicContact CB-CG2 4.44Å; V2030-T2089 HydrophobicContact CG1-CG2 4Å; V2030-T2089 HydrophobicContact CG2-CG2 3.7Å; V2030-V2093 HydrophobicContact CG1-CG2 3.59Å |
| 2031 | R | 92.6 | Very high | 88.1 | Confident | 75.25 Ų | 75.25 | 27.3 Ų | 27.3 | 28% | 0.284 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 174.1 | -71 | 173.4 | -167.4 | 154.6 | 5.1 | 111.8 | W1977 Q2007 E2010 D2027 T2028 I2029 S2033 S2034 L2035 | W1977-R2031 HydrophobicContact CD2-CG 4.38Å; W1977-R2031 HydrophobicContact CH2-CB 3.59Å; W1977-R2031 HydrophobicContact CH2-CG 4.04Å; W1977-R2031 HydrophobicContact CZ2-CB 3.75Å; W1977-R2031 HydrophobicContact CZ2-CG 3.7Å; W1977-R2031 HydrophobicContact CZ3-CB 4.08Å; W1977-R2031 HydrophobicContact CZ3-CG 4.44Å; Q2007-R2031 HydrophobicContact CG-CB 4.36Å; E2010-R2031 IonicContact OE1-NH1 3.82Å; E2010-R2031 PolarHBondContact OE1-NH1 3.08Å; E2010-R2031 IonicContact OE2-NH1 3.16Å; E2010-R2031 PolarHBondContact OE2-NH1 3.05Å; D2027-R2031 WeakPolarHBondContact O-CB 3.33Å; D2027-R2031 VanDerWaalsContact O-CG 3.29Å; D2027-R2031 WeakPolarHBondContact O-CG 3.33Å; D2027-R2031 PolarHBondContact O-N 3.09Å; T2028-R2031 WeakPolarHBondContact O-CB 3.42Å; T2028-R2031 PolarHBondContact O-N 3.08Å; I2029-R2031 VanDerWaalsContact C-N 3.31Å; I2029-R2031 PolarHBondContact O-N 2.92Å; R2031-S2033 VanDerWaalsContact C-N 3.31Å; R2031-S2033 PolarHBondContact O-N 3.23Å; R2031-S2034 WeakPolarHBondContact O-CB 3.23Å; R2031-S2034 PolarHBondContact O-N 3.02Å; R2031-S2034 VanDerWaalsContact O-N 3.15Å; R2031-S2034 PolarHBondContact O-OG 3.02Å; R2031-L2035 WeakPolarHBondContact O-CG 3.44Å; R2031-L2035 PolarHBondContact O-N 3.19Å |
| 2032 | L | 92.6 | Very high | 88.9 | Confident | 19 Ų | 19 | 28 Ų | 28 | 10% | 0.099 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 174.5 | -73.1 | 173.4 | 0 | 0 | 0 | 112.3 | A1373 L1376 R2004 Q2007 V2008 L2011 T2028 I2029 S2034 L2035 S2036 | A1373-L2032 HydrophobicContact CB-CD2 4.06Å; L1376-L2032 HydrophobicContact CB-CD1 4.23Å; R2004-L2032 HydrophobicContact CB-CD2 4.45Å; R2004-L2032 HydrophobicContact CG-CD2 4.14Å; Q2007-L2032 HydrophobicContact CB-CD1 4.46Å; Q2007-L2032 HydrophobicContact CB-CD2 3.82Å; Q2007-L2032 HydrophobicContact CB-CG 4Å; Q2007-L2032 HydrophobicContact CG-CD2 4.29Å; Q2007-L2032 HydrophobicContact CG-CG 4.38Å; V2008-L2032 HydrophobicContact CG2-CD1 4.46Å; V2008-L2032 HydrophobicContact CG2-CD2 4.48Å; L2011-L2032 HydrophobicContact CD2-CD1 4.37Å; T2028-L2032 WeakPolarHBondContact O-CG 3.27Å; T2028-L2032 PolarHBondContact O-N 3.02Å; I2029-L2032 PolarHBondContact O-N 3.15Å; L2032-S2034 VanDerWaalsContact C-N 3.32Å; L2032-S2034 PolarHBondContact O-N 2.92Å; L2032-L2035 PolarHBondContact O-N 3.19Å; L2032-S2036 PolarHBondContact O-N 3.25Å; L2032-S2036 VanDerWaalsContact O-N 3.12Å; L2032-S2036 PolarHBondContact O-OG 3.09Å |
| 2033 | S | 92.9 | Very high | 89.2 | Confident | 23.5 Ų | 23.5 | 26.1 Ų | 26.1 | 16% | 0.164 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 173.1 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | I2029 V2030 R2031 L2035 S2036 D2037 R2079 | I2029-S2033 VanDerWaalsContact O-CB 3.23Å; I2029-S2033 WeakPolarHBondContact O-CB 3.26Å; I2029-S2033 PolarHBondContact O-N 3.1Å; V2030-S2033 WeakPolarHBondContact O-CB 3.43Å; V2030-S2033 PolarHBondContact O-N 3.04Å; R2031-S2033 VanDerWaalsContact C-N 3.31Å; R2031-S2033 PolarHBondContact O-N 3.23Å; S2033-L2035 VanDerWaalsContact C-N 3.33Å; S2033-L2035 PolarHBondContact O-N 3.25Å; S2033-S2036 CarbonylContact O-C 3.45Å; S2033-S2036 WeakPolarHBondContact O-CA 3.43Å; S2033-S2036 WeakPolarHBondContact O-CB 3.39Å; S2033-S2036 PolarHBondContact O-N 3.16Å; S2033-S2036 VanDerWaalsContact O-N 3.12Å; S2033-S2036 PolarHBondContact O-OG 3.2Å; S2033-D2037 PolarHBondContact O-N 3.03Å; S2033-R2079 VanDerWaalsContact CA-NH2 3.33Å; S2033-R2079 PolarHBondContact O-NH2 3.07Å; S2033-R2079 VanDerWaalsContact O-NH2 3.14Å; S2033-R2079 PolarHBondContact OG-NH2 2.88Å |
| 2034 | S | 93.1 | Very high | 89.5 | Confident | 3.75 Ų | 3.75 | 21.7 Ų | 21.7 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 178.2 | -38 | 0 | 0 | 0 | 0 | 112.3 | V2030 R2031 L2032 S2036 D2037 I2038 | V2030-S2034 WeakPolarHBondContact O-CB 3.38Å; V2030-S2034 PolarHBondContact O-N 3.24Å; V2030-S2034 PolarHBondContact O-OG 3.19Å; R2031-S2034 WeakPolarHBondContact O-CB 3.23Å; R2031-S2034 PolarHBondContact O-N 3.02Å; R2031-S2034 VanDerWaalsContact O-N 3.15Å; R2031-S2034 PolarHBondContact O-OG 3.02Å; L2032-S2034 VanDerWaalsContact C-N 3.32Å; L2032-S2034 PolarHBondContact O-N 2.92Å; S2034-S2036 VanDerWaalsContact C-N 3.29Å; S2034-S2036 PolarHBondContact O-N 3.05Å; S2034-D2037 WeakPolarHBondContact O-CB 3.29Å; S2034-D2037 PolarHBondContact O-N 3.19Å; S2034-I2038 VanDerWaalsContact O-CG1 3.31Å; S2034-I2038 WeakPolarHBondContact O-CG1 3.43Å; S2034-I2038 PolarHBondContact O-N 3.1Å |
| 2035 | L | 93.9 | Very high | 89.8 | Confident | 0.25 Ų | 0.25 | 20 Ų | 20 | 0% | 0.001 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 173.3 | -66.5 | 178 | 0 | 0 | 0 | 111.9 | W1977 L1981 L1984 L2000 L2003 R2004 R2031 L2032 S2033 D2037 I2038 E2039 | W1977-L2035 HydrophobicContact CH2-CD1 4.21Å; W1977-L2035 HydrophobicContact CH2-CD2 3.79Å; W1977-L2035 HydrophobicContact CH2-CG 3.82Å; W1977-L2035 HydrophobicContact CZ3-CD1 4.16Å; W1977-L2035 HydrophobicContact CZ3-CD2 4.16Å; W1977-L2035 HydrophobicContact CZ3-CG 4.24Å; L1981-L2035 HydrophobicContact CD1-CD2 4.37Å; L1981-L2035 HydrophobicContact CD2-CD2 3.84Å; L1984-L2035 HydrophobicContact CD2-CD2 4.1Å; L2000-L2035 HydrophobicContact CD1-CB 4.05Å; L2000-L2035 HydrophobicContact CD1-CD1 4.49Å; L2000-L2035 HydrophobicContact CD1-CD2 4.15Å; L2000-L2035 HydrophobicContact CD1-CG 4.46Å; L2003-L2035 HydrophobicContact CB-CD1 3.96Å; L2003-L2035 HydrophobicContact CB-CD2 4.44Å; L2003-L2035 HydrophobicContact CD1-CD2 4.1Å; R2004-L2035 HydrophobicContact CG-CD1 3.95Å; R2031-L2035 WeakPolarHBondContact O-CG 3.44Å; R2031-L2035 PolarHBondContact O-N 3.19Å; L2032-L2035 PolarHBondContact O-N 3.19Å; S2033-L2035 VanDerWaalsContact C-N 3.33Å; S2033-L2035 PolarHBondContact O-N 3.25Å; L2035-D2037 VanDerWaalsContact C-N 3.32Å; L2035-I2038 HydrophobicContact CD2-CD1 4.43Å; L2035-I2038 PolarHBondContact O-N 3.24Å; L2035-E2039 WeakPolarHBondContact O-CB 3.35Å; L2035-E2039 PolarHBondContact O-N 3.3Å |
| 2036 | S | 92 | Very high | 89.9 | Confident | 22.5 Ų | 22.5 | 24.2 Ų | 24.2 | 16% | 0.157 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.6 | -34.5 | 175.9 | -37.2 | 0 | 0 | 0 | 0 | 112 | W1305 G1377 N1378 L2032 S2033 S2034 E2039 L2040 R2079 | W1305-S2036 WeakPolarHBondContact CH2-O 3.41Å; W1305-S2036 VanDerWaalsContact CZ2-O 3.28Å; W1305-S2036 WeakPolarHBondContact CZ2-O 3.43Å; G1377-S2036 PolarHBondContact O-OG 3.21Å; N1378-S2036 WeakPolarHBondContact OD1-CB 3.35Å; L2032-S2036 PolarHBondContact O-N 3.25Å; L2032-S2036 VanDerWaalsContact O-N 3.12Å; L2032-S2036 PolarHBondContact O-OG 3.09Å; S2033-S2036 CarbonylContact O-C 3.45Å; S2033-S2036 WeakPolarHBondContact O-CA 3.43Å; S2033-S2036 WeakPolarHBondContact O-CB 3.39Å; S2033-S2036 PolarHBondContact O-N 3.16Å; S2033-S2036 VanDerWaalsContact O-N 3.12Å; S2033-S2036 PolarHBondContact O-OG 3.2Å; S2034-S2036 VanDerWaalsContact C-N 3.29Å; S2034-S2036 PolarHBondContact O-N 3.05Å; S2036-E2039 WeakPolarHBondContact O-CB 3.28Å; S2036-E2039 PolarHBondContact O-N 3.45Å; S2036-L2040 WeakPolarHBondContact O-CB 3.24Å; S2036-L2040 PolarHBondContact O-N 3.14Å; S2036-R2079 PolarHBondContact OG-NH1 3.17Å; S2036-R2079 PolarHBondContact OG-NH2 3.39Å |
| 2037 | D | 92 | Very high | 89.7 | Confident | 1.75 Ų | 1.75 | 25 Ų | 25 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 173.3 | -69.3 | -8.1 | 0 | 0 | 0 | 111.2 | S2033 S2034 L2035 E2039 L2040 I2041 L2076 R2079 Q2097 | S2033-D2037 PolarHBondContact O-N 3.03Å; S2034-D2037 WeakPolarHBondContact O-CB 3.29Å; S2034-D2037 PolarHBondContact O-N 3.19Å; L2035-D2037 VanDerWaalsContact C-N 3.32Å; D2037-E2039 VanDerWaalsContact C-N 3.32Å; D2037-E2039 PolarHBondContact O-N 2.93Å; D2037-L2040 PolarHBondContact O-N 3.18Å; D2037-I2041 WeakPolarHBondContact O-CB 3.33Å; D2037-I2041 WeakPolarHBondContact O-CD1 3.36Å; D2037-I2041 VanDerWaalsContact O-CG1 3.24Å; D2037-I2041 WeakPolarHBondContact O-CG1 3.17Å; D2037-I2041 PolarHBondContact O-N 3.12Å; D2037-L2076 HydrophobicContact CB-CD2 3.94Å; D2037-R2079 WeakPolarHBondContact OD1-CD 3.35Å; D2037-R2079 IonicContact OD1-CZ 3.13Å; D2037-R2079 IonicContact OD1-NE 3.06Å; D2037-R2079 PolarHBondContact OD1-NE 3.45Å; D2037-R2079 IonicContact OD1-NH1 3.46Å; D2037-R2079 PolarHBondContact OD1-NH1 2.95Å; D2037-R2079 VanDerWaalsContact OD1-NH1 3.16Å; D2037-R2079 IonicContact OD1-NH2 3.26Å; D2037-R2079 PolarHBondContact OD1-NH2 3.43Å; D2037-Q2097 HydrophobicContact CB-CG 4.28Å; D2037-Q2097 PolarHBondContact OD2-NE2 3.21Å |
| 2038 | I | 92.6 | Very high | 89.6 | Confident | 0.75 Ų | 0.75 | 21.8 Ų | 21.8 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.4 | -64.6 | 166.3 | 0 | 0 | 0 | 110.7 | L1981 L1984 F1985 M1988 W1996 S2034 L2035 L2040 I2041 S2042 I2096 A2100 | L1981-I2038 HydrophobicContact CD1-CD1 3.49Å; L1981-I2038 VanDerWaalsContact CD1-CD1 3.49Å; L1981-I2038 HydrophobicContact CD2-CD1 3.75Å; L1984-I2038 HydrophobicContact CD2-CD1 4.02Å; L1984-I2038 HydrophobicContact CD2-CG2 4.04Å; F1985-I2038 HydrophobicContact CE1-CD1 4.3Å; F1985-I2038 HydrophobicContact CE1-CG1 4.35Å; F1985-I2038 HydrophobicContact CE1-CG2 4.44Å; F1985-I2038 HydrophobicContact CZ-CD1 4.13Å; F1985-I2038 HydrophobicContact CZ-CG1 4.42Å; M1988-I2038 HydrophobicContact SD-CG2 4.39Å; W1996-I2038 HydrophobicContact CH2-CG2 3.36Å; W1996-I2038 HydrophobicContact CZ2-CG2 4.17Å; W1996-I2038 HydrophobicContact CZ3-CG2 4.14Å; S2034-I2038 VanDerWaalsContact O-CG1 3.31Å; S2034-I2038 WeakPolarHBondContact O-CG1 3.43Å; S2034-I2038 PolarHBondContact O-N 3.1Å; L2035-I2038 HydrophobicContact CD2-CD1 4.43Å; L2035-I2038 PolarHBondContact O-N 3.24Å; I2038-L2040 VanDerWaalsContact C-N 3.35Å; I2038-I2041 PolarHBondContact O-N 3.23Å; I2038-S2042 WeakPolarHBondContact O-CB 3.37Å; I2038-S2042 PolarHBondContact O-N 2.96Å; I2038-I2096 HydrophobicContact CD1-CG2 3.55Å; I2038-I2096 HydrophobicContact CG1-CG2 3.5Å; I2038-I2096 VanDerWaalsContact CG1-CG2 3.47Å; I2038-A2100 HydrophobicContact CG1-CB 4.47Å |
| 2039 | E | 91.3 | Very high | 89.2 | Confident | 48 Ų | 48 | 22.4 Ų | 22.4 | 22% | 0.224 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 177.4 | -173.7 | 172.3 | -141 | 0 | 0 | 111.8 | Q1301 W1996 L2000 R2004 L2035 S2036 D2037 S2042 S2043 | Q1301-E2039 PolarHBondContact OE1-OE1 2.93Å; W1996-E2039 HydrophobicContact CH2-CB 4.15Å; W1996-E2039 HydrophobicContact CH2-CG 3.84Å; W1996-E2039 HydrophobicContact CZ2-CB 4.36Å; W1996-E2039 HydrophobicContact CZ2-CG 3.87Å; L2000-E2039 HydrophobicContact CD2-CB 4.48Å; L2000-E2039 HydrophobicContact CD2-CG 4.14Å; L2000-E2039 WeakPolarHBondContact CD2-OE1 3.35Å; R2004-E2039 IonicContact CZ-OE1 3.71Å; R2004-E2039 IonicContact CZ-OE2 3.39Å; R2004-E2039 IonicContact NH1-OE1 3.13Å; R2004-E2039 PolarHBondContact NH1-OE1 3.49Å; R2004-E2039 IonicContact NH1-OE2 3.5Å; R2004-E2039 VanDerWaalsContact NH2-CD 3.34Å; R2004-E2039 IonicContact NH2-OE1 3.31Å; R2004-E2039 IonicContact NH2-OE2 3.21Å; R2004-E2039 PolarHBondContact NH2-OE2 3.03Å; L2035-E2039 WeakPolarHBondContact O-CB 3.35Å; L2035-E2039 PolarHBondContact O-N 3.3Å; S2036-E2039 WeakPolarHBondContact O-CB 3.28Å; S2036-E2039 PolarHBondContact O-N 3.45Å; D2037-E2039 VanDerWaalsContact C-N 3.32Å; D2037-E2039 PolarHBondContact O-N 2.93Å; E2039-S2042 PolarHBondContact O-N 3.01Å; E2039-S2043 WeakPolarHBondContact O-CB 3.39Å; E2039-S2043 PolarHBondContact O-N 3.23Å; E2039-S2043 PolarHBondContact O-OG 3.24Å |
| 2040 | L | 90.3 | Very high | 88.7 | Confident | 19.5 Ų | 19.5 | 25.3 Ų | 25.3 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | 175.2 | 179.9 | 81.4 | 0 | 0 | 0 | 111.6 | I1299 L1300 W1305 S2036 D2037 I2038 S2042 S2043 L2044 L2075 L2076 | I1299-L2040 HydrophobicContact CG2-CD1 4.26Å; L1300-L2040 HydrophobicContact CD2-CD1 3.73Å; L1300-L2040 HydrophobicContact CG-CD1 4.45Å; W1305-L2040 HydrophobicContact CD2-CD2 4.35Å; W1305-L2040 HydrophobicContact CE3-CD2 3.76Å; W1305-L2040 HydrophobicContact CH2-CB 3.47Å; W1305-L2040 VanDerWaalsContact CH2-CB 3.47Å; W1305-L2040 HydrophobicContact CH2-CD2 3.58Å; W1305-L2040 HydrophobicContact CH2-CG 4.09Å; W1305-L2040 HydrophobicContact CZ2-CB 3.66Å; W1305-L2040 HydrophobicContact CZ2-CD2 4.23Å; W1305-L2040 HydrophobicContact CZ2-CG 4.4Å; W1305-L2040 HydrophobicContact CZ3-CB 4.15Å; W1305-L2040 HydrophobicContact CZ3-CD2 3.29Å; W1305-L2040 HydrophobicContact CZ3-CG 4.28Å; S2036-L2040 WeakPolarHBondContact O-CB 3.24Å; S2036-L2040 PolarHBondContact O-N 3.14Å; D2037-L2040 PolarHBondContact O-N 3.18Å; I2038-L2040 VanDerWaalsContact C-N 3.35Å; L2040-S2042 VanDerWaalsContact C-N 3.33Å; L2040-S2042 PolarHBondContact O-N 3.4Å; L2040-S2043 WeakPolarHBondContact CA-OG 3.44Å; L2040-S2043 PolarHBondContact O-N 3.08Å; L2040-S2043 PolarHBondContact O-OG 3.17Å; L2040-L2044 VanDerWaalsContact O-CB 3.31Å; L2040-L2044 WeakPolarHBondContact O-CB 3.35Å; L2040-L2044 PolarHBondContact O-N 3.04Å; L2040-L2075 HydrophobicContact CD1-CD2 4Å; L2040-L2075 HydrophobicContact CD2-CD2 3.73Å; L2040-L2075 HydrophobicContact CD2-CG 4.37Å; L2040-L2076 HydrophobicContact CD2-CD1 4.48Å; L2040-L2076 HydrophobicContact CD2-CD2 4.08Å; L2040-L2076 HydrophobicContact CD2-CG 4.24Å |
| 2041 | I | 91 | Very high | 87.9 | Confident | 1.75 Ų | 1.75 | 27.2 Ų | 27.2 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | -179.9 | -66.8 | 161.6 | 0 | 0 | 0 | 110.9 | D2037 I2038 L2044 G2045 L2076 Q2097 A2100 L2101 V2104 | D2037-I2041 WeakPolarHBondContact O-CB 3.33Å; D2037-I2041 WeakPolarHBondContact O-CD1 3.36Å; D2037-I2041 VanDerWaalsContact O-CG1 3.24Å; D2037-I2041 WeakPolarHBondContact O-CG1 3.17Å; D2037-I2041 PolarHBondContact O-N 3.12Å; I2038-I2041 PolarHBondContact O-N 3.23Å; I2041-L2044 WeakPolarHBondContact O-CB 3.4Å; I2041-L2044 PolarHBondContact O-N 3.15Å; I2041-G2045 PolarHBondContact O-N 3.24Å; I2041-G2045 VanDerWaalsContact O-N 3.09Å; I2041-L2076 HydrophobicContact CD1-CD1 4.06Å; I2041-L2076 HydrophobicContact CD1-CD2 4.43Å; I2041-L2076 HydrophobicContact CG1-CD1 3.95Å; I2041-Q2097 HydrophobicContact CD1-CB 4.32Å; I2041-Q2097 HydrophobicContact CD1-CG 4.34Å; I2041-A2100 HydrophobicContact CB-CB 4.1Å; I2041-A2100 HydrophobicContact CD1-CB 3.78Å; I2041-A2100 HydrophobicContact CG2-CB 3.77Å; I2041-L2101 HydrophobicContact CD1-CD2 4.44Å; I2041-L2101 HydrophobicContact CD1-CG 4.09Å; I2041-L2101 HydrophobicContact CG1-CD2 4.21Å; I2041-L2101 HydrophobicContact CG1-CG 4.41Å; I2041-L2101 HydrophobicContact CG2-CD2 3.92Å; I2041-L2101 HydrophobicContact CG2-CG 4.23Å; I2041-V2104 HydrophobicContact CG2-CG2 3.79Å; I2041-V2104 WeakPolarHBondContact O-CG2 3.25Å |
| 2042 | S | 89.7 | Confident | 86.9 | Confident | 16.5 Ų | 16.5 | 24.7 Ų | 24.7 | 12% | 0.115 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 175.7 | -169 | 0 | 0 | 0 | 0 | 111.7 | I2038 E2039 L2040 L2044 G2045 D2046 | I2038-S2042 WeakPolarHBondContact O-CB 3.37Å; I2038-S2042 PolarHBondContact O-N 2.96Å; E2039-S2042 PolarHBondContact O-N 3.01Å; L2040-S2042 VanDerWaalsContact C-N 3.33Å; L2040-S2042 PolarHBondContact O-N 3.4Å; S2042-L2044 VanDerWaalsContact C-N 3.3Å; S2042-L2044 PolarHBondContact O-N 3.15Å; S2042-G2045 WeakPolarHBondContact O-CA 3.41Å; S2042-G2045 PolarHBondContact O-N 3.3Å; S2042-G2045 VanDerWaalsContact O-N 3.12Å; S2042-D2046 PolarHBondContact O-N 3.28Å; S2042-D2046 VanDerWaalsContact O-N 3.07Å |
| 2043 | S | 87 | Confident | 86.1 | Confident | 33.25 Ų | 33.25 | 30.9 Ų | 30.9 | 23% | 0.233 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.8 | -36.3 | 178.2 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | I1299 E2039 L2040 G2045 D2046 V2047 | I1299-S2043 PolarHBondContact O-OG 3.44Å; E2039-S2043 WeakPolarHBondContact O-CB 3.39Å; E2039-S2043 PolarHBondContact O-N 3.23Å; E2039-S2043 PolarHBondContact O-OG 3.24Å; L2040-S2043 WeakPolarHBondContact CA-OG 3.44Å; L2040-S2043 PolarHBondContact O-N 3.08Å; L2040-S2043 PolarHBondContact O-OG 3.17Å; S2043-G2045 VanDerWaalsContact C-N 3.32Å; S2043-G2045 PolarHBondContact O-N 3.25Å; S2043-D2046 PolarHBondContact O-N 3.26Å; S2043-V2047 WeakPolarHBondContact O-CB 3.15Å; S2043-V2047 VanDerWaalsContact O-CG2 3.3Å; S2043-V2047 WeakPolarHBondContact O-CG2 3.4Å; S2043-V2047 PolarHBondContact O-N 3.2Å |
| 2044 | L | 86.2 | Confident | 85 | Confident | 5.75 Ų | 5.75 | 35.3 Ų | 35.3 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 172 | 179.5 | 67.6 | 0 | 0 | 0 | 110.8 | I1299 L2040 I2041 S2042 D2046 V2047 I2048 I2068 V2069 L2131 | I1299-L2044 HydrophobicContact CG2-CD1 4.49Å; L2040-L2044 VanDerWaalsContact O-CB 3.31Å; L2040-L2044 WeakPolarHBondContact O-CB 3.35Å; L2040-L2044 PolarHBondContact O-N 3.04Å; I2041-L2044 WeakPolarHBondContact O-CB 3.4Å; I2041-L2044 PolarHBondContact O-N 3.15Å; S2042-L2044 VanDerWaalsContact C-N 3.3Å; S2042-L2044 PolarHBondContact O-N 3.15Å; L2044-D2046 VanDerWaalsContact C-N 3.33Å; L2044-D2046 PolarHBondContact O-N 3.19Å; L2044-V2047 PolarHBondContact O-N 3.1Å; L2044-I2048 HydrophobicContact CD1-CD1 4.14Å; L2044-I2048 HydrophobicContact CD1-CG1 4.37Å; L2044-I2048 HydrophobicContact CD2-CD1 4.45Å; L2044-I2048 HydrophobicContact CG-CD1 3.86Å; L2044-I2048 WeakPolarHBondContact O-CB 3.41Å; L2044-I2048 WeakPolarHBondContact O-CD1 3.26Å; L2044-I2048 WeakPolarHBondContact O-CG1 3.39Å; L2044-I2048 PolarHBondContact O-N 3.06Å; L2044-I2068 HydrophobicContact CD1-CG2 3.9Å; L2044-V2069 HydrophobicContact CD1-CG2 4.14Å; L2044-L2131 HydrophobicContact CD2-CD2 4.46Å |
| 2045 | G | 85 | Confident | 83.4 | Confident | 7.5 Ų | 7.5 | 38.5 Ų | 38.5 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -45 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | I2041 S2042 S2043 I2048 M2049 | I2041-G2045 PolarHBondContact O-N 3.24Å; I2041-G2045 VanDerWaalsContact O-N 3.09Å; S2042-G2045 WeakPolarHBondContact O-CA 3.41Å; S2042-G2045 PolarHBondContact O-N 3.3Å; S2042-G2045 VanDerWaalsContact O-N 3.12Å; S2043-G2045 VanDerWaalsContact C-N 3.32Å; S2043-G2045 PolarHBondContact O-N 3.25Å; G2045-I2048 PolarHBondContact O-N 3.25Å; G2045-M2049 WeakPolarHBondContact O-CB 3.41Å; G2045-M2049 VanDerWaalsContact O-CG 3.24Å; G2045-M2049 WeakPolarHBondContact O-CG 3.35Å; G2045-M2049 PolarHBondContact O-N 3.19Å |
| 2046 | D | 84.5 | Confident | 81.5 | Confident | 91 Ų | 91 | 42.6 Ų | 42.6 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.6 | -41.3 | 178.7 | -69.3 | -31.3 | 0 | 0 | 0 | 112.5 | S2042 S2043 L2044 M2049 N2050 | S2042-D2046 PolarHBondContact O-N 3.28Å; S2042-D2046 VanDerWaalsContact O-N 3.07Å; S2043-D2046 PolarHBondContact O-N 3.26Å; L2044-D2046 VanDerWaalsContact C-N 3.33Å; L2044-D2046 PolarHBondContact O-N 3.19Å; D2046-M2049 PolarHBondContact O-N 3.2Å; D2046-N2050 WeakPolarHBondContact O-CB 3.31Å; D2046-N2050 VanDerWaalsContact O-CG 3.25Å; D2046-N2050 PolarHBondContact O-N 3.08Å; D2046-N2050 PolarHBondContact O-ND2 3.11Å; D2046-N2050 VanDerWaalsContact O-ND2 3.17Å |
| 2047 | V | 83 | Confident | 79.8 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | K1298 I1299 S2043 L2044 M2049 N2050 E2051 I2068 | K1298-V2047 HydrophobicContact CB-CG2 4.29Å; I1299-V2047 HydrophobicContact CB-CG2 4.33Å; I1299-V2047 HydrophobicContact CD1-CG1 4.13Å; I1299-V2047 HydrophobicContact CG1-CB 3.87Å; I1299-V2047 HydrophobicContact CG1-CG1 3.66Å; I1299-V2047 HydrophobicContact CG1-CG2 3.49Å; I1299-V2047 VanDerWaalsContact CG1-CG2 3.49Å; S2043-V2047 WeakPolarHBondContact O-CB 3.15Å; S2043-V2047 VanDerWaalsContact O-CG2 3.3Å; S2043-V2047 WeakPolarHBondContact O-CG2 3.4Å; S2043-V2047 PolarHBondContact O-N 3.2Å; L2044-V2047 PolarHBondContact O-N 3.1Å; V2047-M2049 VanDerWaalsContact C-N 3.32Å; V2047-M2049 PolarHBondContact O-N 3.18Å; V2047-N2050 PolarHBondContact O-N 3.13Å; V2047-N2050 VanDerWaalsContact O-N 3.14Å; V2047-E2051 HydrophobicContact CG1-CG 4.37Å; V2047-E2051 WeakPolarHBondContact O-CG 3.27Å; V2047-E2051 PolarHBondContact O-N 3.07Å; V2047-I2068 HydrophobicContact CG1-CD1 4.41Å |
| 2048 | I | 82 | Confident | 78 | Confident | 0.25 Ų | 0.25 | 52.1 Ų | 52.1 | 0% | 0.001 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 176.4 | -67.1 | 163.7 | 0 | 0 | 0 | 110 | L2044 G2045 N2050 E2051 I2052 L2065 V2069 L2108 T2127 L2131 | L2044-I2048 HydrophobicContact CD1-CD1 4.14Å; L2044-I2048 HydrophobicContact CD1-CG1 4.37Å; L2044-I2048 HydrophobicContact CD2-CD1 4.45Å; L2044-I2048 HydrophobicContact CG-CD1 3.86Å; L2044-I2048 WeakPolarHBondContact O-CB 3.41Å; L2044-I2048 WeakPolarHBondContact O-CD1 3.26Å; L2044-I2048 WeakPolarHBondContact O-CG1 3.39Å; L2044-I2048 PolarHBondContact O-N 3.06Å; G2045-I2048 PolarHBondContact O-N 3.25Å; I2048-N2050 VanDerWaalsContact C-N 3.32Å; I2048-N2050 PolarHBondContact O-N 2.98Å; I2048-E2051 PolarHBondContact O-N 3.29Å; I2048-I2052 HydrophobicContact CG2-CD1 3.56Å; I2048-I2052 HydrophobicContact CG2-CG1 4.44Å; I2048-I2052 WeakPolarHBondContact O-CB 3.3Å; I2048-I2052 VanDerWaalsContact O-CD1 3.26Å; I2048-I2052 WeakPolarHBondContact O-CD1 3.28Å; I2048-I2052 WeakPolarHBondContact O-CG1 3.33Å; I2048-I2052 PolarHBondContact O-N 3.04Å; I2048-I2052 VanDerWaalsContact O-N 3.1Å; I2048-L2065 HydrophobicContact CB-CD1 4.47Å; I2048-L2065 HydrophobicContact CG1-CD1 4.14Å; I2048-V2069 HydrophobicContact CD1-CG2 4.09Å; I2048-V2069 HydrophobicContact CG1-CG2 4.42Å; I2048-L2108 HydrophobicContact CB-CD2 4.4Å; I2048-L2108 HydrophobicContact CD1-CD1 4.33Å; I2048-L2108 HydrophobicContact CG2-CD1 4.11Å; I2048-L2108 HydrophobicContact CG2-CD2 3.62Å; I2048-T2127 HydrophobicContact CD1-CG2 4.13Å; I2048-T2127 HydrophobicContact CG2-CG2 4.41Å; I2048-L2131 HydrophobicContact CD1-CD1 4.4Å |
| 2049 | M | 79.3 | Confident | 76.3 | Confident | 19.25 Ų | 19.25 | 63 Ų | 63 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 178.8 | -73.1 | -68.8 | -64.1 | 0 | 0 | 112.9 | G2045 D2046 V2047 R2053 L2108 F2111 | G2045-M2049 WeakPolarHBondContact O-CB 3.41Å; G2045-M2049 VanDerWaalsContact O-CG 3.24Å; G2045-M2049 WeakPolarHBondContact O-CG 3.35Å; G2045-M2049 PolarHBondContact O-N 3.19Å; D2046-M2049 PolarHBondContact O-N 3.2Å; V2047-M2049 VanDerWaalsContact C-N 3.32Å; V2047-M2049 PolarHBondContact O-N 3.18Å; M2049-R2053 WeakPolarHBondContact O-CB 3.34Å; M2049-R2053 WeakPolarHBondContact O-CG 3.29Å; M2049-R2053 PolarHBondContact O-N 3.19Å; M2049-R2053 VanDerWaalsContact O-N 3.1Å; M2049-L2108 HydrophobicContact CG-CD2 4.09Å; M2049-L2108 HydrophobicContact SD-CD2 3.65Å; M2049-L2108 VanDerWaalsContact SD-CD2 3.59Å; M2049-F2111 HydrophobicContact CE-CB 4.36Å; M2049-F2111 HydrophobicContact CE-CD1 4.23Å; M2049-F2111 HydrophobicContact CE-CD2 3.63Å; M2049-F2111 HydrophobicContact CE-CE1 4.09Å; M2049-F2111 HydrophobicContact CE-CE2 3.78Å; M2049-F2111 VanDerWaalsContact CE-CE2 3.41Å; M2049-F2111 HydrophobicContact CE-CG 3.86Å; M2049-F2111 HydrophobicContact CE-CZ 3.73Å; M2049-F2111 HydrophobicContact SD-CB 4.37Å; M2049-F2111 HydrophobicContact SD-CD1 4.33Å; M2049-F2111 HydrophobicContact SD-CD2 4.2Å; M2049-F2111 HydrophobicContact SD-CG 4.23Å |
| 2050 | N | 79.6 | Confident | 74.6 | Confident | 90 Ų | 90 | 63.5 Ų | 63.5 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.2 | -44.1 | 179.1 | -74.9 | -23.6 | 0 | 0 | 0 | 112.4 | D2046 V2047 I2048 I2052 R2053 N2054 | D2046-N2050 WeakPolarHBondContact O-CB 3.31Å; D2046-N2050 VanDerWaalsContact O-CG 3.25Å; D2046-N2050 PolarHBondContact O-N 3.08Å; D2046-N2050 PolarHBondContact O-ND2 3.11Å; D2046-N2050 VanDerWaalsContact O-ND2 3.17Å; V2047-N2050 PolarHBondContact O-N 3.13Å; V2047-N2050 VanDerWaalsContact O-N 3.14Å; I2048-N2050 VanDerWaalsContact C-N 3.32Å; I2048-N2050 PolarHBondContact O-N 2.98Å; N2050-I2052 VanDerWaalsContact C-N 3.27Å; N2050-I2052 PolarHBondContact O-N 3Å; N2050-R2053 PolarHBondContact O-N 3.31Å; N2050-N2054 PolarHBondContact O-N 3.09Å |
| 2051 | E | 75.9 | Confident | 73 | Confident | 56.75 Ų | 56.75 | 63.6 Ų | 63.6 | 27% | 0.265 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.1 | -35.5 | 175.6 | -73.6 | -66.4 | 155.5 | 0 | 0 | 111.8 | V2047 I2048 N2054 L2065 | V2047-E2051 HydrophobicContact CG1-CG 4.37Å; V2047-E2051 WeakPolarHBondContact O-CG 3.27Å; V2047-E2051 PolarHBondContact O-N 3.07Å; I2048-E2051 PolarHBondContact O-N 3.29Å; E2051-N2054 CarbonylContact O-C 3.46Å; E2051-L2065 HydrophobicContact CB-CD1 4.03Å; E2051-L2065 HydrophobicContact CG-CD1 4.15Å |
| 2052 | I | 71.9 | Confident | 71.5 | Confident | 22.75 Ų | 22.75 | 68 Ų | 68 | 12% | 0.117 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.9 | -38 | 176.1 | -65.9 | 161.4 | 0 | 0 | 0 | 111.7 | I2048 N2050 L2108 F2111 I2118 N2120 L2124 | I2048-I2052 HydrophobicContact CG2-CD1 3.56Å; I2048-I2052 HydrophobicContact CG2-CG1 4.44Å; I2048-I2052 WeakPolarHBondContact O-CB 3.3Å; I2048-I2052 VanDerWaalsContact O-CD1 3.26Å; I2048-I2052 WeakPolarHBondContact O-CD1 3.28Å; I2048-I2052 WeakPolarHBondContact O-CG1 3.33Å; I2048-I2052 PolarHBondContact O-N 3.04Å; I2048-I2052 VanDerWaalsContact O-N 3.1Å; N2050-I2052 VanDerWaalsContact C-N 3.27Å; N2050-I2052 PolarHBondContact O-N 3Å; I2052-L2108 HydrophobicContact CD1-CD2 4.37Å; I2052-F2111 HydrophobicContact CG2-CE1 3.83Å; I2052-I2118 HydrophobicContact CG2-CG2 4.2Å; I2052-N2120 PolarHBondContact O-ND2 3.26Å; I2052-L2124 HydrophobicContact CD1-CB 4.41Å; I2052-L2124 HydrophobicContact CD1-CD1 3.67Å; I2052-L2124 HydrophobicContact CD1-CG 4.47Å |
| 2053 | R | 74.2 | Confident | 70.4 | Confident | 149.25 Ų | 149.25 | 70 Ų | 70 | 56% | 0.563 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -72.5 | -37.4 | 179.1 | -78.6 | 177.9 | 177 | -161.4 | -2.7 | 112.7 | M2049 N2050 P2055 F2111 | M2049-R2053 WeakPolarHBondContact O-CB 3.34Å; M2049-R2053 WeakPolarHBondContact O-CG 3.29Å; M2049-R2053 PolarHBondContact O-N 3.19Å; M2049-R2053 VanDerWaalsContact O-N 3.1Å; N2050-R2053 PolarHBondContact O-N 3.31Å; R2053-P2055 VanDerWaalsContact C-CD 3.49Å; R2053-P2055 VanDerWaalsContact O-CD 3.25Å; R2053-P2055 WeakPolarHBondContact O-CD 3.44Å; R2053-F2111 HydrophobicContact CG-CZ 4.49Å |
| 2054 | N | 70.1 | Confident | 69.8 | Low | 116.75 Ų | 116.75 | 72.4 Ų | 72.4 | 62% | 0.624 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -119.8 | 77.5 | -175.8 | -67.6 | -19.2 | 0 | 0 | 0 | 110.6 | N2050 E2051 T2056 | N2050-N2054 PolarHBondContact O-N 3.09Å; E2051-N2054 CarbonylContact O-C 3.46Å; N2054-T2056 PolarHBondContact O-N 3.05Å; N2054-T2056 VanDerWaalsContact O-N 3.11Å |
| 2055 | P | 60.5 | Low | 69.4 | Low | 71.75 Ų | 71.75 | 72.5 Ų | 72.5 | 47% | 0.466 | 38% | 0.381 | S | S | . | . | trans | -67.3 | 106.7 | 179.3 | 27.3 | -33.2 | 0 | 0 | 0 | 110.1 | R2053 N2057 | R2053-P2055 VanDerWaalsContact C-CD 3.49Å; R2053-P2055 VanDerWaalsContact O-CD 3.25Å; R2053-P2055 WeakPolarHBondContact O-CD 3.44Å; P2055-N2057 PolarHBondContact O-N 2.78Å | ||
| 2056 | T | 54.4 | Low | 69.1 | Low | 86.25 Ų | 86.25 | 74.9 Ų | 74.9 | 53% | 0.529 | 40% | 0.396 | S | S | . | . | trans | -77.7 | 146.3 | 158.9 | 59.6 | 0 | 0 | 0 | 0 | 108.6 | N2054 S2058 S2061 | N2054-T2056 PolarHBondContact O-N 3.05Å; N2054-T2056 VanDerWaalsContact O-N 3.11Å; T2056-S2058 VanDerWaalsContact C-N 3.35Å; T2056-S2058 PolarHBondContact O-N 2.97Å; T2056-S2061 PolarHBondContact O-OG 2.95Å | ||
| 2057 | N | 54.5 | Low | 68.9 | Low | 146.75 Ų | 146.75 | 74.9 Ų | 74.9 | 79% | 0.785 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -26.2 | 106.2 | -174.3 | -76.5 | -19.9 | 0 | 0 | 0 | 115.1 | P2055 R2059 S2060 S2061 | P2055-N2057 PolarHBondContact O-N 2.78Å; N2057-R2059 PolarHBondContact O-N 3.24Å; N2057-R2059 VanDerWaalsContact O-N 3.16Å; N2057-S2060 PolarHBondContact O-N 3.17Å; N2057-S2060 VanDerWaalsContact O-N 3.14Å; N2057-S2060 PolarHBondContact O-OG 3.08Å; N2057-S2061 PolarHBondContact O-N 2.94Å; N2057-S2061 VanDerWaalsContact O-N 3.14Å; N2057-S2061 PolarHBondContact O-OG 3.22Å; N2057-S2061 VanDerWaalsContact O-OG 3.11Å |
| 2058 | S | 55 | Low | 68.9 | Low | 77.25 Ų | 77.25 | 75.6 Ų | 75.6 | 54% | 0.54 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -78.3 | -28.5 | -168.6 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | T2056 S2060 S2061 E2062 | T2056-S2058 VanDerWaalsContact C-N 3.35Å; T2056-S2058 PolarHBondContact O-N 2.97Å; S2058-S2060 WeakPolarHBondContact CB-OG 3.49Å; S2058-S2060 PolarHBondContact O-N 3.5Å; S2058-S2060 PolarHBondContact OG-OG 3.02Å; S2058-S2061 WeakPolarHBondContact CA-OG 3.29Å; S2058-S2061 PolarHBondContact O-N 3.35Å; S2058-S2061 PolarHBondContact O-OG 3Å; S2058-E2062 PolarHBondContact O-N 3.47Å |
| 2059 | R | 56.1 | Low | 69 | Low | 229.5 Ų | 229.5 | 75.7 Ų | 75.7 | 87% | 0.866 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -72.8 | -29.3 | 179.4 | -75 | -175.7 | 175.9 | 176.7 | -1.3 | 113.8 | N2057 | N2057-R2059 PolarHBondContact O-N 3.24Å; N2057-R2059 VanDerWaalsContact O-N 3.16Å |
| 2060 | S | 56.1 | Low | 69.3 | Low | 58.75 Ų | 58.75 | 78.4 Ų | 78.4 | 41% | 0.411 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -75.2 | -28 | 175.3 | 41.2 | 0 | 0 | 0 | 0 | 112.7 | N2057 S2058 S2063 N2064 | N2057-S2060 PolarHBondContact O-N 3.17Å; N2057-S2060 VanDerWaalsContact O-N 3.14Å; N2057-S2060 PolarHBondContact O-OG 3.08Å; S2058-S2060 WeakPolarHBondContact CB-OG 3.49Å; S2058-S2060 PolarHBondContact O-N 3.5Å; S2058-S2060 PolarHBondContact OG-OG 3.02Å; S2060-S2063 PolarHBondContact O-OG 3.4Å; S2060-S2063 VanDerWaalsContact O-OG 3.07Å; S2060-N2064 VanDerWaalsContact O-CB 3.29Å; S2060-N2064 WeakPolarHBondContact O-CB 3.41Å; S2060-N2064 PolarHBondContact O-N 3.32Å; S2060-N2064 VanDerWaalsContact O-N 3.14Å; S2060-N2064 PolarHBondContact O-ND2 3.21Å; S2060-N2064 VanDerWaalsContact O-ND2 3.15Å; S2060-N2064 PolarHBondContact O-OD1 2.81Å |
| 2061 | S | 56.8 | Low | 69.6 | Low | 20 Ų | 20 | 77 Ų | 77 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.6 | -36.5 | -178.7 | 35.8 | 0 | 0 | 0 | 0 | 112.7 | T2056 N2057 S2058 N2064 L2065 | T2056-S2061 PolarHBondContact O-OG 2.95Å; N2057-S2061 PolarHBondContact O-N 2.94Å; N2057-S2061 VanDerWaalsContact O-N 3.14Å; N2057-S2061 PolarHBondContact O-OG 3.22Å; N2057-S2061 VanDerWaalsContact O-OG 3.11Å; S2058-S2061 WeakPolarHBondContact CA-OG 3.29Å; S2058-S2061 PolarHBondContact O-N 3.35Å; S2058-S2061 PolarHBondContact O-OG 3Å; S2061-N2064 PolarHBondContact O-N 3.05Å; S2061-L2065 VanDerWaalsContact O-CB 3.27Å; S2061-L2065 WeakPolarHBondContact O-CB 3.31Å; S2061-L2065 PolarHBondContact O-N 3.1Å |
| 2062 | E | 60.7 | Low | 70 | Confident | 94.75 Ų | 94.75 | 74.8 Ų | 74.8 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 178 | -157.8 | 178 | -179.3 | 0 | 0 | 112.4 | S2058 N2064 L2065 S2066 V2123 | S2058-E2062 PolarHBondContact O-N 3.47Å; E2062-N2064 VanDerWaalsContact C-N 3.29Å; E2062-N2064 PolarHBondContact O-N 2.95Å; E2062-L2065 PolarHBondContact O-N 2.96Å; E2062-S2066 VanDerWaalsContact O-CB 3.28Å; E2062-S2066 WeakPolarHBondContact O-CB 3.38Å; E2062-S2066 PolarHBondContact O-N 3.27Å; E2062-V2123 HydrophobicContact CB-CG2 4.31Å; E2062-V2123 HydrophobicContact CG-CB 4.35Å; E2062-V2123 HydrophobicContact CG-CG1 4.21Å; E2062-V2123 HydrophobicContact CG-CG2 3.9Å; E2062-V2123 WeakPolarHBondContact OE1-CG2 3.41Å |
| 2063 | S | 66.4 | Low | 70.9 | Confident | 58.5 Ų | 58.5 | 75 Ų | 75 | 41% | 0.409 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 177.4 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | S2060 N2067 | S2060-S2063 PolarHBondContact O-OG 3.4Å; S2060-S2063 VanDerWaalsContact O-OG 3.07Å; S2063-N2067 VanDerWaalsContact O-CB 3.29Å; S2063-N2067 WeakPolarHBondContact O-CB 3.28Å; S2063-N2067 PolarHBondContact O-N 3.14Å; S2063-N2067 PolarHBondContact O-ND2 3.09Å; S2063-N2067 VanDerWaalsContact O-ND2 3.12Å; S2063-N2067 PolarHBondContact O-OD1 2.99Å |
| 2064 | N | 73.8 | Confident | 71.4 | Confident | 83.75 Ų | 83.75 | 73.5 Ų | 73.5 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 176.9 | -74.8 | -14.1 | 0 | 0 | 0 | 112 | S2060 S2061 E2062 N2067 I2068 | S2060-N2064 VanDerWaalsContact O-CB 3.29Å; S2060-N2064 WeakPolarHBondContact O-CB 3.41Å; S2060-N2064 PolarHBondContact O-N 3.32Å; S2060-N2064 VanDerWaalsContact O-N 3.14Å; S2060-N2064 PolarHBondContact O-ND2 3.21Å; S2060-N2064 VanDerWaalsContact O-ND2 3.15Å; S2060-N2064 PolarHBondContact O-OD1 2.81Å; S2061-N2064 PolarHBondContact O-N 3.05Å; E2062-N2064 VanDerWaalsContact C-N 3.29Å; E2062-N2064 PolarHBondContact O-N 2.95Å; N2064-N2067 WeakPolarHBondContact O-CB 3.4Å; N2064-N2067 PolarHBondContact O-N 3.15Å; N2064-I2068 WeakPolarHBondContact O-CB 3.37Å; N2064-I2068 WeakPolarHBondContact O-CD1 3.47Å; N2064-I2068 VanDerWaalsContact O-CG1 3.25Å; N2064-I2068 WeakPolarHBondContact O-CG1 3.4Å; N2064-I2068 PolarHBondContact O-N 2.95Å |
| 2065 | L | 77 | Confident | 72.3 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 179.5 | -170 | 88.3 | 0 | 0 | 0 | 111.6 | I2048 E2051 S2061 E2062 N2067 I2068 V2069 V2123 T2127 | I2048-L2065 HydrophobicContact CB-CD1 4.47Å; I2048-L2065 HydrophobicContact CG1-CD1 4.14Å; E2051-L2065 HydrophobicContact CB-CD1 4.03Å; E2051-L2065 HydrophobicContact CG-CD1 4.15Å; S2061-L2065 VanDerWaalsContact O-CB 3.27Å; S2061-L2065 WeakPolarHBondContact O-CB 3.31Å; S2061-L2065 PolarHBondContact O-N 3.1Å; E2062-L2065 PolarHBondContact O-N 2.96Å; L2065-N2067 VanDerWaalsContact C-N 3.31Å; L2065-N2067 PolarHBondContact O-N 3.16Å; L2065-I2068 PolarHBondContact O-N 3.17Å; L2065-V2069 HydrophobicContact CD2-CG2 4.37Å; L2065-V2069 WeakPolarHBondContact O-CG2 3.42Å; L2065-V2069 PolarHBondContact O-N 3.17Å; L2065-V2123 HydrophobicContact CD2-CG1 3.89Å; L2065-T2127 HydrophobicContact CD2-CG2 3.79Å; L2065-T2127 HydrophobicContact CG-CG2 4.21Å |
| 2066 | S | 78.6 | Confident | 73.6 | Confident | 58.25 Ų | 58.25 | 66.7 Ų | 66.7 | 41% | 0.407 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.2 | -45.6 | 173.6 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | E2062 I2068 V2069 E2070 R2130 | E2062-S2066 VanDerWaalsContact O-CB 3.28Å; E2062-S2066 WeakPolarHBondContact O-CB 3.38Å; E2062-S2066 PolarHBondContact O-N 3.27Å; S2066-I2068 PolarHBondContact O-N 3.42Å; S2066-V2069 PolarHBondContact O-N 3.17Å; S2066-E2070 VanDerWaalsContact O-CB 3.28Å; S2066-E2070 WeakPolarHBondContact O-CB 3.36Å; S2066-E2070 PolarHBondContact O-N 3.13Å; S2066-R2130 PolarHBondContact O-NH2 2.98Å; S2066-R2130 PolarHBondContact OG-NH1 3.33Å |
| 2067 | N | 80.8 | Confident | 75.2 | Confident | 90 Ų | 90 | 66.9 Ų | 66.9 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 177.6 | -73.4 | -18.9 | 0 | 0 | 0 | 112 | S2063 N2064 L2065 V2069 E2070 T2071 | S2063-N2067 VanDerWaalsContact O-CB 3.29Å; S2063-N2067 WeakPolarHBondContact O-CB 3.28Å; S2063-N2067 PolarHBondContact O-N 3.14Å; S2063-N2067 PolarHBondContact O-ND2 3.09Å; S2063-N2067 VanDerWaalsContact O-ND2 3.12Å; S2063-N2067 PolarHBondContact O-OD1 2.99Å; N2064-N2067 WeakPolarHBondContact O-CB 3.4Å; N2064-N2067 PolarHBondContact O-N 3.15Å; L2065-N2067 VanDerWaalsContact C-N 3.31Å; L2065-N2067 PolarHBondContact O-N 3.16Å; N2067-V2069 PolarHBondContact O-N 3.2Å; N2067-E2070 PolarHBondContact O-N 2.98Å; N2067-T2071 VanDerWaalsContact O-CB 3.26Å; N2067-T2071 WeakPolarHBondContact O-CB 3.31Å; N2067-T2071 PolarHBondContact O-N 3.04Å; N2067-T2071 PolarHBondContact O-OG1 3.04Å |
| 2068 | I | 82.4 | Confident | 76.7 | Confident | 49.5 Ų | 49.5 | 61.8 Ų | 61.8 | 25% | 0.254 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 178.2 | -71.2 | 162.2 | 0 | 0 | 0 | 111 | I1299 L2044 V2047 N2064 L2065 S2066 T2071 S2072 | I1299-I2068 HydrophobicContact CD1-CB 4.04Å; I1299-I2068 HydrophobicContact CD1-CD1 3.59Å; I1299-I2068 HydrophobicContact CD1-CG1 3.55Å; I1299-I2068 HydrophobicContact CD1-CG2 3.3Å; I1299-I2068 HydrophobicContact CG1-CG2 3.79Å; I1299-I2068 HydrophobicContact CG2-CG2 4.32Å; L2044-I2068 HydrophobicContact CD1-CG2 3.9Å; V2047-I2068 HydrophobicContact CG1-CD1 4.41Å; N2064-I2068 WeakPolarHBondContact O-CB 3.37Å; N2064-I2068 WeakPolarHBondContact O-CD1 3.47Å; N2064-I2068 VanDerWaalsContact O-CG1 3.25Å; N2064-I2068 WeakPolarHBondContact O-CG1 3.4Å; N2064-I2068 PolarHBondContact O-N 2.95Å; L2065-I2068 PolarHBondContact O-N 3.17Å; S2066-I2068 PolarHBondContact O-N 3.42Å; I2068-T2071 PolarHBondContact O-N 3.03Å; I2068-S2072 WeakPolarHBondContact O-CB 3.26Å; I2068-S2072 PolarHBondContact O-N 3.18Å; I2068-S2072 PolarHBondContact O-OG 3.21Å |
| 2069 | V | 85.3 | Confident | 78.3 | Confident | 2.75 Ų | 2.75 | 60.2 Ų | 60.2 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 177.9 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | L2044 I2048 L2065 S2066 N2067 T2071 S2072 L2073 T2127 R2130 L2131 | L2044-V2069 HydrophobicContact CD1-CG2 4.14Å; I2048-V2069 HydrophobicContact CD1-CG2 4.09Å; I2048-V2069 HydrophobicContact CG1-CG2 4.42Å; L2065-V2069 HydrophobicContact CD2-CG2 4.37Å; L2065-V2069 WeakPolarHBondContact O-CG2 3.42Å; L2065-V2069 PolarHBondContact O-N 3.17Å; S2066-V2069 PolarHBondContact O-N 3.17Å; N2067-V2069 PolarHBondContact O-N 3.2Å; V2069-T2071 VanDerWaalsContact C-N 3.31Å; V2069-T2071 PolarHBondContact O-N 3.39Å; V2069-S2072 PolarHBondContact O-N 3.17Å; V2069-L2073 HydrophobicContact CG1-CD1 3.9Å; V2069-L2073 HydrophobicContact CG1-CG 4.4Å; V2069-L2073 WeakPolarHBondContact O-CB 3.43Å; V2069-L2073 VanDerWaalsContact O-CG 3.3Å; V2069-L2073 WeakPolarHBondContact O-CG 3.32Å; V2069-L2073 PolarHBondContact O-N 3.1Å; V2069-T2127 HydrophobicContact CG2-CG2 4.2Å; V2069-R2130 HydrophobicContact CG1-CG 4.16Å; V2069-L2131 HydrophobicContact CG1-CD2 4.34Å |
| 2070 | E | 85.5 | Confident | 79.8 | Confident | 75 Ų | 75 | 50.8 Ų | 50.8 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | -179.1 | -160.7 | 80.8 | -144.7 | 0 | 0 | 112.1 | S2066 N2067 S2072 L2073 K2074 R2130 | S2066-E2070 VanDerWaalsContact O-CB 3.28Å; S2066-E2070 WeakPolarHBondContact O-CB 3.36Å; S2066-E2070 PolarHBondContact O-N 3.13Å; N2067-E2070 PolarHBondContact O-N 2.98Å; E2070-S2072 VanDerWaalsContact C-N 3.34Å; E2070-S2072 PolarHBondContact O-N 3.37Å; E2070-L2073 PolarHBondContact O-N 3.3Å; E2070-K2074 HydrophobicContact CG-CD 4.28Å; E2070-K2074 VanDerWaalsContact O-CB 3.23Å; E2070-K2074 WeakPolarHBondContact O-CB 3.29Å; E2070-K2074 VanDerWaalsContact O-CG 3.3Å; E2070-K2074 WeakPolarHBondContact O-CG 3.33Å; E2070-K2074 PolarHBondContact O-N 3.14Å; E2070-K2074 VanDerWaalsContact OE1-CE 3.25Å; E2070-K2074 WeakPolarHBondContact OE1-CE 3.31Å; E2070-K2074 IonicContact OE1-NZ 3.08Å; E2070-R2130 VanDerWaalsContact CG-NH2 3.28Å; E2070-R2130 IonicContact OE1-CZ 3.5Å; E2070-R2130 IonicContact OE1-NH1 2.92Å; E2070-R2130 IonicContact OE1-NH2 3.4Å; E2070-R2130 PolarHBondContact OE1-NH2 2.95Å; E2070-R2130 IonicContact OE2-CZ 3.15Å; E2070-R2130 IonicContact OE2-NE 3.71Å; E2070-R2130 PolarHBondContact OE2-NE 3.31Å; E2070-R2130 VanDerWaalsContact OE2-NE 3.16Å; E2070-R2130 IonicContact OE2-NH1 2.86Å; E2070-R2130 IonicContact OE2-NH2 3.27Å; E2070-R2130 PolarHBondContact OE2-NH2 3.39Å |
| 2071 | T | 85.1 | Confident | 81.1 | Confident | 61.75 Ų | 61.75 | 55.6 Ų | 55.6 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 177 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | I1251 N2067 I2068 V2069 L2073 K2074 L2075 | I1251-T2071 HydrophobicContact CB-CG2 4.43Å; I1251-T2071 HydrophobicContact CG2-CG2 3.06Å; N2067-T2071 VanDerWaalsContact O-CB 3.26Å; N2067-T2071 WeakPolarHBondContact O-CB 3.31Å; N2067-T2071 PolarHBondContact O-N 3.04Å; N2067-T2071 PolarHBondContact O-OG1 3.04Å; I2068-T2071 PolarHBondContact O-N 3.03Å; V2069-T2071 VanDerWaalsContact C-N 3.31Å; V2069-T2071 PolarHBondContact O-N 3.39Å; T2071-L2073 VanDerWaalsContact C-N 3.34Å; T2071-L2073 PolarHBondContact O-N 3.06Å; T2071-K2074 PolarHBondContact O-N 2.94Å; T2071-L2075 HydrophobicContact CG2-CD1 4.29Å; T2071-L2075 WeakPolarHBondContact O-CB 3.37Å; T2071-L2075 VanDerWaalsContact O-CG 3.26Å; T2071-L2075 WeakPolarHBondContact O-CG 3.33Å; T2071-L2075 PolarHBondContact O-N 3.21Å |
| 2072 | S | 86 | Confident | 82.5 | Confident | 9.5 Ų | 9.5 | 57.8 Ų | 57.8 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 178.2 | -57 | 0 | 0 | 0 | 0 | 111.8 | I2068 V2069 E2070 L2075 L2076 | I2068-S2072 WeakPolarHBondContact O-CB 3.26Å; I2068-S2072 PolarHBondContact O-N 3.18Å; I2068-S2072 PolarHBondContact O-OG 3.21Å; V2069-S2072 PolarHBondContact O-N 3.17Å; E2070-S2072 VanDerWaalsContact C-N 3.34Å; E2070-S2072 PolarHBondContact O-N 3.37Å; S2072-L2075 WeakPolarHBondContact O-CB 3.26Å; S2072-L2075 PolarHBondContact O-N 3.15Å; S2072-L2076 WeakPolarHBondContact O-CG 3.39Å; S2072-L2076 PolarHBondContact O-N 3.28Å; S2072-L2076 VanDerWaalsContact O-N 3.15Å |
| 2073 | L | 88.8 | Confident | 83.7 | Confident | 26.25 Ų | 26.25 | 54.2 Ų | 54.2 | 14% | 0.137 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 176.9 | -68.7 | 175.2 | 0 | 0 | 0 | 111.9 | V2069 E2070 T2071 L2075 L2076 E2077 L2101 R2130 A2134 | V2069-L2073 HydrophobicContact CG1-CD1 3.9Å; V2069-L2073 HydrophobicContact CG1-CG 4.4Å; V2069-L2073 WeakPolarHBondContact O-CB 3.43Å; V2069-L2073 VanDerWaalsContact O-CG 3.3Å; V2069-L2073 WeakPolarHBondContact O-CG 3.32Å; V2069-L2073 PolarHBondContact O-N 3.1Å; E2070-L2073 PolarHBondContact O-N 3.3Å; T2071-L2073 VanDerWaalsContact C-N 3.34Å; T2071-L2073 PolarHBondContact O-N 3.06Å; L2073-L2075 VanDerWaalsContact C-N 3.3Å; L2073-L2075 PolarHBondContact O-N 3.17Å; L2073-L2076 HydrophobicContact CD2-CD1 4.49Å; L2073-L2076 PolarHBondContact O-N 3.06Å; L2073-E2077 PolarHBondContact O-N 3.03Å; L2073-L2101 HydrophobicContact CD2-CD2 4.42Å; L2073-R2130 HydrophobicContact CD1-CG 4.45Å; L2073-R2130 VanDerWaalsContact CD1-CZ 3.44Å; L2073-A2134 HydrophobicContact CD1-CB 3.87Å; L2073-A2134 HydrophobicContact CD2-CB 3.81Å; L2073-A2134 HydrophobicContact CG-CB 4.41Å |
| 2074 | K | 86.7 | Confident | 84.4 | Confident | 117.75 Ų | 117.75 | 56.4 Ų | 56.4 | 51% | 0.512 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 174.3 | -122.6 | 174.5 | -178.7 | 173.6 | 0 | 111.9 | E2070 T2071 E2077 T2078 | E2070-K2074 HydrophobicContact CG-CD 4.28Å; E2070-K2074 VanDerWaalsContact O-CB 3.23Å; E2070-K2074 WeakPolarHBondContact O-CB 3.29Å; E2070-K2074 VanDerWaalsContact O-CG 3.3Å; E2070-K2074 WeakPolarHBondContact O-CG 3.33Å; E2070-K2074 PolarHBondContact O-N 3.14Å; E2070-K2074 VanDerWaalsContact OE1-CE 3.25Å; E2070-K2074 WeakPolarHBondContact OE1-CE 3.31Å; E2070-K2074 IonicContact OE1-NZ 3.08Å; T2071-K2074 PolarHBondContact O-N 2.94Å; K2074-E2077 PolarHBondContact O-N 3.17Å; K2074-T2078 WeakPolarHBondContact O-CB 3.29Å; K2074-T2078 VanDerWaalsContact O-CG2 3.28Å; K2074-T2078 WeakPolarHBondContact O-CG2 3.39Å; K2074-T2078 PolarHBondContact O-N 3.18Å; K2074-T2078 PolarHBondContact O-OG1 3.12Å |
| 2075 | L | 87.2 | Confident | 84.7 | Confident | 38.25 Ų | 38.25 | 56.3 Ų | 56.3 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 174.9 | -123.7 | 119.4 | 0 | 0 | 0 | 111.5 | I1251 L1300 W1305 L2040 T2071 S2072 L2073 E2077 T2078 R2079 | I1251-L2075 HydrophobicContact CD1-CD1 4.13Å; I1251-L2075 HydrophobicContact CG1-CD1 4.48Å; I1251-L2075 HydrophobicContact CG1-CD2 4.43Å; I1251-L2075 HydrophobicContact CG2-CD1 4.04Å; I1251-L2075 HydrophobicContact CG2-CD2 4.23Å; I1251-L2075 HydrophobicContact CG2-CG 4.32Å; L1300-L2075 HydrophobicContact CD2-CD1 3.74Å; W1305-L2075 HydrophobicContact CB-CD1 4.35Å; W1305-L2075 WeakPolarHBondContact O-CD2 3.45Å; L2040-L2075 HydrophobicContact CD1-CD2 4Å; L2040-L2075 HydrophobicContact CD2-CD2 3.73Å; L2040-L2075 HydrophobicContact CD2-CG 4.37Å; T2071-L2075 HydrophobicContact CG2-CD1 4.29Å; T2071-L2075 WeakPolarHBondContact O-CB 3.37Å; T2071-L2075 VanDerWaalsContact O-CG 3.26Å; T2071-L2075 WeakPolarHBondContact O-CG 3.33Å; T2071-L2075 PolarHBondContact O-N 3.21Å; S2072-L2075 WeakPolarHBondContact O-CB 3.26Å; S2072-L2075 PolarHBondContact O-N 3.15Å; L2073-L2075 VanDerWaalsContact C-N 3.3Å; L2073-L2075 PolarHBondContact O-N 3.17Å; L2075-E2077 VanDerWaalsContact C-N 3.3Å; L2075-E2077 PolarHBondContact O-N 3.14Å; L2075-T2078 WeakPolarHBondContact CA-OG1 3.28Å; L2075-T2078 PolarHBondContact O-N 3.25Å; L2075-T2078 PolarHBondContact O-OG1 3.28Å; L2075-R2079 WeakPolarHBondContact O-CG 3.29Å; L2075-R2079 PolarHBondContact O-N 3.32Å |
| 2076 | L | 89.3 | Confident | 85 | Confident | 8.5 Ų | 8.5 | 57.2 Ų | 57.2 | 5% | 0.045 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 175.4 | -66.6 | 172.6 | 0 | 0 | 0 | 111.5 | W1305 D2037 L2040 I2041 S2072 L2073 R2079 I2080 Q2097 | W1305-L2076 HydrophobicContact CZ3-CD2 4.46Å; D2037-L2076 HydrophobicContact CB-CD2 3.94Å; L2040-L2076 HydrophobicContact CD2-CD1 4.48Å; L2040-L2076 HydrophobicContact CD2-CD2 4.08Å; L2040-L2076 HydrophobicContact CD2-CG 4.24Å; I2041-L2076 HydrophobicContact CD1-CD1 4.06Å; I2041-L2076 HydrophobicContact CD1-CD2 4.43Å; I2041-L2076 HydrophobicContact CG1-CD1 3.95Å; S2072-L2076 WeakPolarHBondContact O-CG 3.39Å; S2072-L2076 PolarHBondContact O-N 3.28Å; S2072-L2076 VanDerWaalsContact O-N 3.15Å; L2073-L2076 HydrophobicContact CD2-CD1 4.49Å; L2073-L2076 PolarHBondContact O-N 3.06Å; L2076-R2079 PolarHBondContact O-N 3.36Å; L2076-I2080 WeakPolarHBondContact O-CG1 3.31Å; L2076-I2080 PolarHBondContact O-N 2.89Å; L2076-I2080 VanDerWaalsContact O-N 3.13Å; L2076-Q2097 HydrophobicContact CD2-CG 4.46Å |
| 2077 | E | 88.1 | Confident | 85.3 | Confident | 90 Ų | 90 | 55.9 Ų | 55.9 | 42% | 0.421 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.4 | -167.8 | -174.4 | 172.5 | 0 | 0 | 112.3 | L2073 K2074 L2075 R2079 I2080 R2081 | L2073-E2077 PolarHBondContact O-N 3.03Å; K2074-E2077 PolarHBondContact O-N 3.17Å; L2075-E2077 VanDerWaalsContact C-N 3.3Å; L2075-E2077 PolarHBondContact O-N 3.14Å; E2077-R2079 VanDerWaalsContact C-N 3.32Å; E2077-R2079 PolarHBondContact O-N 3.21Å; E2077-I2080 PolarHBondContact O-N 3.16Å; E2077-R2081 WeakPolarHBondContact O-CG 3.32Å; E2077-R2081 PolarHBondContact O-N 3.13Å; E2077-R2081 VanDerWaalsContact O-N 3.09Å; E2077-R2081 IonicContact OE1-CZ 3.21Å; E2077-R2081 IonicContact OE1-NE 3.67Å; E2077-R2081 PolarHBondContact OE1-NE 3.27Å; E2077-R2081 IonicContact OE1-NH2 3.17Å; E2077-R2081 PolarHBondContact OE1-NH2 3.03Å |
| 2078 | T | 85.4 | Confident | 85.4 | Confident | 40.5 Ų | 40.5 | 55.2 Ų | 55.2 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 112 | K2074 L2075 I2080 R2081 V2082 | K2074-T2078 WeakPolarHBondContact O-CB 3.29Å; K2074-T2078 VanDerWaalsContact O-CG2 3.28Å; K2074-T2078 WeakPolarHBondContact O-CG2 3.39Å; K2074-T2078 PolarHBondContact O-N 3.18Å; K2074-T2078 PolarHBondContact O-OG1 3.12Å; L2075-T2078 WeakPolarHBondContact CA-OG1 3.28Å; L2075-T2078 PolarHBondContact O-N 3.25Å; L2075-T2078 PolarHBondContact O-OG1 3.28Å; T2078-I2080 PolarHBondContact O-N 3.21Å; T2078-R2081 PolarHBondContact O-N 3.04Å; T2078-R2081 VanDerWaalsContact O-N 3.15Å; T2078-V2082 WeakPolarHBondContact O-CG2 3.42Å; T2078-V2082 PolarHBondContact O-N 3.15Å; T2078-V2082 VanDerWaalsContact O-N 3.1Å |
| 2079 | R | 88.4 | Confident | 85.6 | Confident | 43.5 Ų | 43.5 | 53.3 Ų | 53.3 | 16% | 0.164 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 174.4 | -73.9 | 177.9 | 123.5 | 165.7 | 1 | 112.1 | P1308 G1377 G1380 S2033 S2036 D2037 L2075 L2076 E2077 R2081 V2082 S2083 | P1308-R2079 HydrophobicContact CB-CG 4.12Å; P1308-R2079 HydrophobicContact CG-CG 4.12Å; G1377-R2079 PolarHBondContact O-NH2 3.17Å; G1380-R2079 VanDerWaalsContact CA-NH2 3.25Å; S2033-R2079 VanDerWaalsContact CA-NH2 3.33Å; S2033-R2079 PolarHBondContact O-NH2 3.07Å; S2033-R2079 VanDerWaalsContact O-NH2 3.14Å; S2033-R2079 PolarHBondContact OG-NH2 2.88Å; S2036-R2079 PolarHBondContact OG-NH1 3.17Å; S2036-R2079 PolarHBondContact OG-NH2 3.39Å; D2037-R2079 WeakPolarHBondContact OD1-CD 3.35Å; D2037-R2079 IonicContact OD1-CZ 3.13Å; D2037-R2079 IonicContact OD1-NE 3.06Å; D2037-R2079 PolarHBondContact OD1-NE 3.45Å; D2037-R2079 IonicContact OD1-NH1 3.46Å; D2037-R2079 PolarHBondContact OD1-NH1 2.95Å; D2037-R2079 VanDerWaalsContact OD1-NH1 3.16Å; D2037-R2079 IonicContact OD1-NH2 3.26Å; D2037-R2079 PolarHBondContact OD1-NH2 3.43Å; L2075-R2079 WeakPolarHBondContact O-CG 3.29Å; L2075-R2079 PolarHBondContact O-N 3.32Å; L2076-R2079 PolarHBondContact O-N 3.36Å; E2077-R2079 VanDerWaalsContact C-N 3.32Å; E2077-R2079 PolarHBondContact O-N 3.21Å; R2079-R2081 VanDerWaalsContact C-N 3.32Å; R2079-R2081 PolarHBondContact O-N 3.05Å; R2079-V2082 PolarHBondContact O-N 3.13Å; R2079-V2082 VanDerWaalsContact O-N 3.17Å; R2079-S2083 WeakPolarHBondContact O-CB 3.4Å; R2079-S2083 PolarHBondContact O-N 3.31Å; R2079-S2083 VanDerWaalsContact O-N 3.11Å; R2079-S2083 PolarHBondContact O-OG 3.2Å; R2079-S2083 VanDerWaalsContact O-OG 3.06Å |
| 2080 | I | 87.9 | Confident | 85.9 | Confident | 31.75 Ų | 31.75 | 53.8 Ų | 53.8 | 16% | 0.163 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 174.4 | -67.9 | 159.2 | 0 | 0 | 0 | 110.9 | L2076 E2077 T2078 V2082 S2083 L2090 L2094 | L2076-I2080 WeakPolarHBondContact O-CG1 3.31Å; L2076-I2080 PolarHBondContact O-N 2.89Å; L2076-I2080 VanDerWaalsContact O-N 3.13Å; E2077-I2080 PolarHBondContact O-N 3.16Å; T2078-I2080 PolarHBondContact O-N 3.21Å; I2080-V2082 VanDerWaalsContact C-N 3.28Å; I2080-V2082 PolarHBondContact O-N 3.17Å; I2080-S2083 PolarHBondContact O-N 3.19Å; I2080-S2083 PolarHBondContact O-OG 3.02Å; I2080-L2090 HydrophobicContact CG2-CD1 4.32Å; I2080-L2090 HydrophobicContact CG2-CD2 4.12Å; I2080-L2094 HydrophobicContact CD1-CD2 3.59Å; I2080-L2094 HydrophobicContact CG1-CD2 4.4Å |
| 2081 | R | 84 | Confident | 86.2 | Confident | 159.25 Ų | 159.25 | 50.6 Ų | 50.6 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -66.3 | -32.4 | 179.8 | -69.2 | 174.8 | -178.7 | -162.4 | 1.8 | 113.6 | D1312 K1386 E2077 T2078 R2079 | D1312-R2081 IonicContact OD2-NH1 3.28Å; K1386-R2081 PolarHBondContact NZ-O 3.47Å; E2077-R2081 WeakPolarHBondContact O-CG 3.32Å; E2077-R2081 PolarHBondContact O-N 3.13Å; E2077-R2081 VanDerWaalsContact O-N 3.09Å; E2077-R2081 IonicContact OE1-CZ 3.21Å; E2077-R2081 IonicContact OE1-NE 3.67Å; E2077-R2081 PolarHBondContact OE1-NE 3.27Å; E2077-R2081 IonicContact OE1-NH2 3.17Å; E2077-R2081 PolarHBondContact OE1-NH2 3.03Å; T2078-R2081 PolarHBondContact O-N 3.04Å; T2078-R2081 VanDerWaalsContact O-N 3.15Å; R2079-R2081 VanDerWaalsContact C-N 3.32Å; R2079-R2081 PolarHBondContact O-N 3.05Å |
| 2082 | V | 84.7 | Confident | 86.5 | Confident | 66.5 Ų | 66.5 | 49.5 Ų | 49.5 | 40% | 0.403 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -81 | -25.6 | 178.9 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | L1311 D1312 V1382 D1383 K1386 T2078 R2079 I2080 | L1311-V2082 HydrophobicContact CB-CG1 4.25Å; L1311-V2082 HydrophobicContact CB-CG2 4.35Å; L1311-V2082 HydrophobicContact CD1-CG1 4.1Å; D1312-V2082 HydrophobicContact CB-CG2 3.89Å; V1382-V2082 HydrophobicContact CB-CG1 4.05Å; V1382-V2082 HydrophobicContact CG1-CG1 3.65Å; V1382-V2082 HydrophobicContact CG2-CG1 3.84Å; D1383-V2082 PolarHBondContact N-O 3.02Å; K1386-V2082 PolarHBondContact NZ-O 3.4Å; T2078-V2082 WeakPolarHBondContact O-CG2 3.42Å; T2078-V2082 PolarHBondContact O-N 3.15Å; T2078-V2082 VanDerWaalsContact O-N 3.1Å; R2079-V2082 PolarHBondContact O-N 3.13Å; R2079-V2082 VanDerWaalsContact O-N 3.17Å; I2080-V2082 VanDerWaalsContact C-N 3.28Å; I2080-V2082 PolarHBondContact O-N 3.17Å |
| 2083 | S | 86 | Confident | 86.9 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -67.6 | 162.1 | 176.8 | -45.8 | 0 | 0 | 0 | 0 | 113.2 | A1381 K1386 R2079 I2080 L2090 | A1381-S2083 WeakPolarHBondContact O-CA 3.33Å; A1381-S2083 PolarHBondContact O-OG 2.87Å; K1386-S2083 PolarHBondContact NZ-O 3.38Å; R2079-S2083 WeakPolarHBondContact O-CB 3.4Å; R2079-S2083 PolarHBondContact O-N 3.31Å; R2079-S2083 VanDerWaalsContact O-N 3.11Å; R2079-S2083 PolarHBondContact O-OG 3.2Å; R2079-S2083 VanDerWaalsContact O-OG 3.06Å; I2080-S2083 PolarHBondContact O-N 3.19Å; I2080-S2083 PolarHBondContact O-OG 3.02Å; S2083-L2090 WeakPolarHBondContact OG-CD2 3.48Å |
| 2084 | R | 81.8 | Confident | 87.1 | Confident | 104.5 Ų | 104.5 | 48.4 Ų | 48.4 | 39% | 0.394 | 24% | 0.236 | S | C | . | . | trans | -62.2 | 127.7 | 178 | -171 | -179.1 | -174.6 | -178.9 | 0.4 | 109.2 | Y2026 T2086 T2089 L2090 | Y2026-R2084 HydrophobicContact CE1-CB 3.79Å; Y2026-R2084 VanDerWaalsContact OH-CB 3.27Å; Y2026-R2084 WeakPolarHBondContact OH-CB 3.3Å; Y2026-R2084 PolarHBondContact OH-N 3.3Å; R2084-T2086 WeakPolarHBondContact CD-OG1 3.29Å; R2084-T2086 HydrophobicContact CG-CG2 4.05Å; R2084-T2086 WeakPolarHBondContact CG-OG1 3.29Å; R2084-T2086 PolarHBondContact O-N 3.13Å; R2084-T2086 PolarHBondContact O-OG1 3.21Å; R2084-T2089 PolarHBondContact O-OG1 3.06Å; R2084-L2090 WeakPolarHBondContact O-CG 3.3Å | ||
| 2085 | P | 80.5 | Confident | 87.5 | Confident | 81 Ų | 81 | 42.9 Ų | 42.9 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | trans | -80.1 | 49.7 | -173.8 | 34.2 | -37.6 | 0 | 0 | 0 | 112.7 | ||||
| 2086 | T | 81.7 | Confident | 87.8 | Confident | 26.75 Ų | 26.75 | 41.4 Ų | 41.4 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | trans | -106.9 | 142.1 | -179 | 35.5 | 0 | 0 | 0 | 0 | 110.9 | R2084 H2088 T2089 L2090 | R2084-T2086 WeakPolarHBondContact CD-OG1 3.29Å; R2084-T2086 HydrophobicContact CG-CG2 4.05Å; R2084-T2086 WeakPolarHBondContact CG-OG1 3.29Å; R2084-T2086 PolarHBondContact O-N 3.13Å; R2084-T2086 PolarHBondContact O-OG1 3.21Å; T2086-H2088 VanDerWaalsContact C-N 3.3Å; T2086-H2088 VanDerWaalsContact CB-CE1 3.4Å; T2086-H2088 WeakPolarHBondContact CB-CE1 3.34Å; T2086-H2088 PolarHBondContact O-N 3.09Å; T2086-H2088 PolarHBondContact OG1-CE1 3.42Å; T2086-T2089 PolarHBondContact O-N 3.21Å; T2086-T2089 VanDerWaalsContact O-N 3.09Å; T2086-T2089 PolarHBondContact O-OG1 3.34Å; T2086-T2089 VanDerWaalsContact OG1-CB 3.3Å; T2086-T2089 WeakPolarHBondContact OG1-CB 3.48Å; T2086-T2089 WeakPolarHBondContact OG1-CG2 3.25Å; T2086-T2089 PolarHBondContact OG1-OG1 2.96Å; T2086-L2090 WeakPolarHBondContact O-CB 3.4Å; T2086-L2090 PolarHBondContact O-N 3.29Å; T2086-L2090 VanDerWaalsContact O-N 3.09Å | ||
| 2087 | F | 85.6 | Confident | 88 | Confident | 31.25 Ų | 31.25 | 41.3 Ų | 41.3 | 14% | 0.137 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.8 | -47.1 | -178.7 | -177.3 | -95 | 0 | 0 | 0 | 112.2 | L1863 P1911 T2089 L2090 E2091 L2145 A2146 S2149 Q2151 | L1863-F2087 HydrophobicContact CD1-CE1 4.1Å; P1911-F2087 HydrophobicContact CB-CE1 3.85Å; P1911-F2087 HydrophobicContact CB-CZ 3.64Å; P1911-F2087 HydrophobicContact CG-CE1 3.93Å; P1911-F2087 HydrophobicContact CG-CZ 4.24Å; F2087-T2089 VanDerWaalsContact C-N 3.27Å; F2087-T2089 PolarHBondContact O-N 3.02Å; F2087-L2090 PolarHBondContact O-N 2.96Å; F2087-E2091 HydrophobicContact CD1-CB 4.49Å; F2087-E2091 HydrophobicContact CD2-CB 4.38Å; F2087-E2091 HydrophobicContact CE1-CB 4.24Å; F2087-E2091 HydrophobicContact CE1-CG 4.32Å; F2087-E2091 HydrophobicContact CE2-CB 4.17Å; F2087-E2091 HydrophobicContact CE2-CG 4.17Å; F2087-E2091 HydrophobicContact CZ-CB 4.03Å; F2087-E2091 HydrophobicContact CZ-CG 3.81Å; F2087-E2091 VanDerWaalsContact O-CB 3.23Å; F2087-E2091 WeakPolarHBondContact O-CB 3.34Å; F2087-E2091 PolarHBondContact O-N 3.32Å; F2087-L2145 HydrophobicContact CB-CD2 4.44Å; F2087-L2145 HydrophobicContact CD2-CB 4.38Å; F2087-L2145 HydrophobicContact CD2-CD2 3.84Å; F2087-L2145 HydrophobicContact CD2-CG 3.82Å; F2087-L2145 HydrophobicContact CE2-CD2 4.09Å; F2087-L2145 HydrophobicContact CE2-CG 4.41Å; F2087-L2145 HydrophobicContact CG-CD2 4.11Å; F2087-A2146 HydrophobicContact CE2-CB 3.98Å; F2087-S2149 VanDerWaalsContact CD2-OG 3.27Å; F2087-S2149 WeakPolarHBondContact CD2-OG 3.35Å; F2087-Q2151 VanDerWaalsContact CD1-NE2 3.31Å; F2087-Q2151 HydrophobicContact CE1-CG 4.25Å; F2087-Q2151 VanDerWaalsContact CE1-OE1 3.3Å; F2087-Q2151 HydrophobicContact CE2-CG 4.24Å; F2087-Q2151 VanDerWaalsContact CE2-OE1 3.29Å; F2087-Q2151 VanDerWaalsContact CZ-CD 3.46Å; F2087-Q2151 HydrophobicContact CZ-CG 3.96Å |
| 2088 | H | 83 | Confident | 88.3 | Confident | 76.25 Ų | 76.25 | 37.4 Ų | 37.4 | 35% | 0.353 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64 | -26.4 | -178.7 | 72 | -22 | 0 | 0 | 0 | 113.7 | H1801 T2086 P2092 | H1801-H2088 AromaticContact CD2-CD2 3.87Å; H1801-H2088 AromaticContact CD2-CE1 3.77Å; H1801-H2088 AromaticContact CD2-CG 3.98Å; H1801-H2088 AromaticContact CD2-ND1 3.9Å; H1801-H2088 AromaticContact CD2-NE2 3.73Å; H1801-H2088 AromaticContact CE1-CD2 3.57Å; H1801-H2088 AromaticContact CE1-NE2 3.6Å; H1801-H2088 AromaticContact NE2-CD2 3.51Å; H1801-H2088 PolarHBondContact NE2-CD2 3.44Å; H1801-H2088 VanDerWaalsContact NE2-CD2 3.31Å; H1801-H2088 AromaticContact NE2-CG 3.87Å; H1801-H2088 AromaticContact NE2-NE2 3.45Å; H1801-H2088 PolarHBondContact NE2-NE2 3.16Å; T2086-H2088 VanDerWaalsContact C-N 3.3Å; T2086-H2088 VanDerWaalsContact CB-CE1 3.4Å; T2086-H2088 WeakPolarHBondContact CB-CE1 3.34Å; T2086-H2088 PolarHBondContact O-N 3.09Å; T2086-H2088 PolarHBondContact OG1-CE1 3.42Å; H2088-P2092 VanDerWaalsContact O-CD 3.25Å; H2088-P2092 WeakPolarHBondContact O-CD 3.32Å; H2088-P2092 VanDerWaalsContact O-CG 3.26Å; H2088-P2092 WeakPolarHBondContact O-CG 3.42Å |
| 2089 | T | 86.4 | Confident | 88.7 | Confident | 8.75 Ų | 8.75 | 35.6 Ų | 35.6 | 5% | 0.054 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -88.2 | -46.7 | 179.2 | -30.9 | 0 | 0 | 0 | 0 | 111.4 | Y2026 V2030 R2084 T2086 F2087 V2093 | Y2026-T2089 HydrophobicContact CD1-CG2 4.33Å; Y2026-T2089 HydrophobicContact CE1-CG2 3.86Å; V2030-T2089 HydrophobicContact CB-CG2 4.44Å; V2030-T2089 HydrophobicContact CG1-CG2 4Å; V2030-T2089 HydrophobicContact CG2-CG2 3.7Å; R2084-T2089 PolarHBondContact O-OG1 3.06Å; T2086-T2089 PolarHBondContact O-N 3.21Å; T2086-T2089 VanDerWaalsContact O-N 3.09Å; T2086-T2089 PolarHBondContact O-OG1 3.34Å; T2086-T2089 VanDerWaalsContact OG1-CB 3.3Å; T2086-T2089 WeakPolarHBondContact OG1-CB 3.48Å; T2086-T2089 WeakPolarHBondContact OG1-CG2 3.25Å; T2086-T2089 PolarHBondContact OG1-OG1 2.96Å; F2087-T2089 VanDerWaalsContact C-N 3.27Å; F2087-T2089 PolarHBondContact O-N 3.02Å; T2089-V2093 VanDerWaalsContact O-CG2 3.25Å; T2089-V2093 WeakPolarHBondContact O-CG2 3.35Å |
| 2090 | L | 90.9 | Very high | 89 | Confident | 12.75 Ų | 12.75 | 33.5 Ų | 33.5 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -81.9 | -33 | -172.3 | -70.1 | -177.3 | 0 | 0 | 0 | 113.4 | I2080 S2083 R2084 T2086 F2087 V2093 L2094 L2145 | I2080-L2090 HydrophobicContact CG2-CD1 4.32Å; I2080-L2090 HydrophobicContact CG2-CD2 4.12Å; S2083-L2090 WeakPolarHBondContact OG-CD2 3.48Å; R2084-L2090 WeakPolarHBondContact O-CG 3.3Å; T2086-L2090 WeakPolarHBondContact O-CB 3.4Å; T2086-L2090 PolarHBondContact O-N 3.29Å; T2086-L2090 VanDerWaalsContact O-N 3.09Å; F2087-L2090 PolarHBondContact O-N 2.96Å; L2090-V2093 PolarHBondContact O-N 3.18Å; L2090-L2094 WeakPolarHBondContact O-CB 3.37Å; L2090-L2094 VanDerWaalsContact O-CG 3.26Å; L2090-L2094 WeakPolarHBondContact O-CG 3.28Å; L2090-L2094 PolarHBondContact O-N 3.14Å; L2090-L2145 HydrophobicContact CB-CD1 3.91Å; L2090-L2145 HydrophobicContact CB-CD2 3.76Å; L2090-L2145 HydrophobicContact CB-CG 4.48Å; L2090-L2145 HydrophobicContact CD1-CD1 3.88Å; L2090-L2145 VanDerWaalsContact CD1-CD1 3.49Å; L2090-L2145 HydrophobicContact CD1-CD2 3.87Å; L2090-L2145 HydrophobicContact CG-CD1 4.12Å |
| 2091 | E | 93 | Very high | 89.2 | Confident | 9 Ų | 9 | 32.3 Ų | 32.3 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.2 | -49 | -179.5 | -171.2 | -75.7 | 151.5 | 0 | 0 | 112.1 | P1911 R1957 F2087 V2093 L2094 A2095 R2142 L2145 | P1911-E2091 HydrophobicContact CB-CG 4.2Å; R1957-E2091 IonicContact CZ-OE1 3.54Å; R1957-E2091 IonicContact CZ-OE2 3.13Å; R1957-E2091 VanDerWaalsContact NH1-CD 3.3Å; R1957-E2091 IonicContact NH1-OE1 3.42Å; R1957-E2091 PolarHBondContact NH1-OE1 3.07Å; R1957-E2091 IonicContact NH1-OE2 3.03Å; R1957-E2091 PolarHBondContact NH1-OE2 3.1Å; R1957-E2091 IonicContact NH2-OE2 3.49Å; R1957-E2091 PolarHBondContact NH2-OE2 3.35Å; F2087-E2091 HydrophobicContact CD1-CB 4.49Å; F2087-E2091 HydrophobicContact CD2-CB 4.38Å; F2087-E2091 HydrophobicContact CE1-CB 4.24Å; F2087-E2091 HydrophobicContact CE1-CG 4.32Å; F2087-E2091 HydrophobicContact CE2-CB 4.17Å; F2087-E2091 HydrophobicContact CE2-CG 4.17Å; F2087-E2091 HydrophobicContact CZ-CB 4.03Å; F2087-E2091 HydrophobicContact CZ-CG 3.81Å; F2087-E2091 VanDerWaalsContact O-CB 3.23Å; F2087-E2091 WeakPolarHBondContact O-CB 3.34Å; F2087-E2091 PolarHBondContact O-N 3.32Å; E2091-V2093 VanDerWaalsContact C-N 3.34Å; E2091-V2093 PolarHBondContact O-N 2.97Å; E2091-L2094 PolarHBondContact O-N 3.21Å; E2091-A2095 WeakPolarHBondContact O-CB 3.42Å; E2091-A2095 PolarHBondContact O-N 3.06Å; E2091-R2142 IonicContact OE1-CZ 3.32Å; E2091-R2142 IonicContact OE1-NE 3.21Å; E2091-R2142 IonicContact OE1-NH2 3.63Å; E2091-R2142 PolarHBondContact OE1-NH2 3.11Å; E2091-L2145 HydrophobicContact CB-CD2 3.96Å; E2091-L2145 HydrophobicContact CG-CD2 4.44Å |
| 2092 | P | 92.1 | Very high | 89.7 | Confident | 37.5 Ų | 37.5 | 27.9 Ų | 27.9 | 24% | 0.244 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 178.2 | -23.5 | 35.9 | 0 | 0 | 0 | 112.4 | H2088 L2094 A2095 I2096 | H2088-P2092 VanDerWaalsContact O-CD 3.25Å; H2088-P2092 WeakPolarHBondContact O-CD 3.32Å; H2088-P2092 VanDerWaalsContact O-CG 3.26Å; H2088-P2092 WeakPolarHBondContact O-CG 3.42Å; P2092-L2094 PolarHBondContact O-N 3.04Å; P2092-A2095 PolarHBondContact O-N 3.28Å; P2092-I2096 WeakPolarHBondContact O-CB 3.31Å; P2092-I2096 VanDerWaalsContact O-CG1 3.25Å; P2092-I2096 WeakPolarHBondContact O-CG1 3.31Å; P2092-I2096 PolarHBondContact O-N 3.11Å |
| 2093 | V | 93.4 | Very high | 90 | Very high | 10.75 Ų | 10.75 | 25.1 Ų | 25.1 | 7% | 0.065 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | V2030 T2089 L2090 E2091 A2095 I2096 Q2097 | V2030-V2093 HydrophobicContact CG1-CG2 3.59Å; T2089-V2093 VanDerWaalsContact O-CG2 3.25Å; T2089-V2093 WeakPolarHBondContact O-CG2 3.35Å; L2090-V2093 PolarHBondContact O-N 3.18Å; E2091-V2093 VanDerWaalsContact C-N 3.34Å; E2091-V2093 PolarHBondContact O-N 2.97Å; V2093-A2095 VanDerWaalsContact C-N 3.33Å; V2093-A2095 PolarHBondContact O-N 3.02Å; V2093-I2096 PolarHBondContact O-N 3.08Å; V2093-Q2097 WeakPolarHBondContact O-CB 3.37Å; V2093-Q2097 WeakPolarHBondContact O-CG 3.36Å; V2093-Q2097 PolarHBondContact O-N 3.26Å |
| 2094 | L | 93.6 | Very high | 90.2 | Very high | 3.5 Ų | 3.5 | 24.7 Ų | 24.7 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.5 | -72.8 | 168.3 | 0 | 0 | 0 | 111.9 | I2080 L2090 E2091 P2092 Q2097 H2098 N2138 E2141 R2142 L2145 | I2080-L2094 HydrophobicContact CD1-CD2 3.59Å; I2080-L2094 HydrophobicContact CG1-CD2 4.4Å; L2090-L2094 WeakPolarHBondContact O-CB 3.37Å; L2090-L2094 VanDerWaalsContact O-CG 3.26Å; L2090-L2094 WeakPolarHBondContact O-CG 3.28Å; L2090-L2094 PolarHBondContact O-N 3.14Å; E2091-L2094 PolarHBondContact O-N 3.21Å; P2092-L2094 PolarHBondContact O-N 3.04Å; L2094-Q2097 PolarHBondContact O-N 3.36Å; L2094-H2098 VanDerWaalsContact O-CB 3.3Å; L2094-H2098 WeakPolarHBondContact O-CB 3.41Å; L2094-H2098 PolarHBondContact O-N 3.18Å; L2094-N2138 PolarHBondContact O-ND2 3.21Å; L2094-N2138 VanDerWaalsContact O-ND2 3.1Å; L2094-N2138 PolarHBondContact O-OD1 3.36Å; L2094-E2141 HydrophobicContact CD1-CB 4.35Å; L2094-E2141 HydrophobicContact CD2-CB 4.43Å; L2094-R2142 HydrophobicContact CB-CG 3.59Å; L2094-R2142 HydrophobicContact CD1-CG 3.68Å; L2094-R2142 HydrophobicContact CG-CG 4.21Å; L2094-L2145 HydrophobicContact CD1-CD1 3.32Å; L2094-L2145 HydrophobicContact CD1-CD2 4.18Å |
| 2095 | A | 93.8 | Very high | 90.6 | Very high | 2.5 Ų | 2.5 | 20.1 Ų | 20.1 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1956 R1957 E2091 P2092 V2093 H2098 A2099 | W1956-A2095 HydrophobicContact CH2-CB 4.19Å; W1956-A2095 HydrophobicContact CZ3-CB 4.2Å; R1957-A2095 HydrophobicContact CG-CB 4.46Å; E2091-A2095 WeakPolarHBondContact O-CB 3.42Å; E2091-A2095 PolarHBondContact O-N 3.06Å; P2092-A2095 PolarHBondContact O-N 3.28Å; V2093-A2095 VanDerWaalsContact C-N 3.33Å; V2093-A2095 PolarHBondContact O-N 3.02Å; A2095-H2098 WeakPolarHBondContact O-CB 3.39Å; A2095-H2098 PolarHBondContact O-N 3.11Å; A2095-A2099 PolarHBondContact O-N 3.08Å |
| 2096 | I | 94.1 | Very high | 91 | Very high | 6.75 Ų | 6.75 | 18.9 Ų | 18.9 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.7 | -48.8 | 175.8 | -72.5 | 168.7 | 0 | 0 | 0 | 110.6 | W1956 L1981 F1985 I2038 P2092 V2093 H2098 A2099 A2100 | W1956-I2096 HydrophobicContact CH2-CG1 3.84Å; W1956-I2096 HydrophobicContact CZ2-CG1 4.36Å; W1956-I2096 HydrophobicContact CZ3-CG1 4.3Å; L1981-I2096 HydrophobicContact CD1-CD1 4.1Å; L1981-I2096 HydrophobicContact CD1-CG1 4.44Å; L1981-I2096 HydrophobicContact CD2-CD1 4.27Å; L1981-I2096 HydrophobicContact CD2-CG1 4.14Å; L1981-I2096 HydrophobicContact CD2-CG2 4.44Å; F1985-I2096 HydrophobicContact CZ-CG2 4.3Å; I2038-I2096 HydrophobicContact CD1-CG2 3.55Å; I2038-I2096 HydrophobicContact CG1-CG2 3.5Å; I2038-I2096 VanDerWaalsContact CG1-CG2 3.47Å; P2092-I2096 WeakPolarHBondContact O-CB 3.31Å; P2092-I2096 VanDerWaalsContact O-CG1 3.25Å; P2092-I2096 WeakPolarHBondContact O-CG1 3.31Å; P2092-I2096 PolarHBondContact O-N 3.11Å; V2093-I2096 PolarHBondContact O-N 3.08Å; I2096-H2098 VanDerWaalsContact C-N 3.25Å; I2096-H2098 PolarHBondContact O-N 3.09Å; I2096-A2099 PolarHBondContact O-N 3.11Å; I2096-A2100 WeakPolarHBondContact O-CB 3.37Å; I2096-A2100 PolarHBondContact O-N 3.05Å |
| 2097 | Q | 94.1 | Very high | 91.2 | Very high | 5.5 Ų | 5.5 | 19.1 Ų | 19.1 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 175.9 | -71.7 | 177.7 | 0.5 | 0 | 0 | 111.1 | D2037 I2041 L2076 V2093 L2094 A2100 L2101 | D2037-Q2097 HydrophobicContact CB-CG 4.28Å; D2037-Q2097 PolarHBondContact OD2-NE2 3.21Å; I2041-Q2097 HydrophobicContact CD1-CB 4.32Å; I2041-Q2097 HydrophobicContact CD1-CG 4.34Å; L2076-Q2097 HydrophobicContact CD2-CG 4.46Å; V2093-Q2097 WeakPolarHBondContact O-CB 3.37Å; V2093-Q2097 WeakPolarHBondContact O-CG 3.36Å; V2093-Q2097 PolarHBondContact O-N 3.26Å; L2094-Q2097 PolarHBondContact O-N 3.36Å; Q2097-A2100 PolarHBondContact O-N 3.37Å; Q2097-L2101 VanDerWaalsContact O-CB 3.3Å; Q2097-L2101 WeakPolarHBondContact O-CB 3.34Å; Q2097-L2101 VanDerWaalsContact O-CG 3.26Å; Q2097-L2101 WeakPolarHBondContact O-CG 3.37Å; Q2097-L2101 PolarHBondContact O-N 3.08Å |
| 2098 | H | 94 | Very high | 91.2 | Very high | 8.25 Ų | 8.25 | 17.7 Ų | 17.7 | 4% | 0.038 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.6 | -53.5 | 175.6 | -167 | 90.3 | 0 | 0 | 0 | 111.8 | L2094 A2095 I2096 A2100 L2101 Q2102 N2138 W2139 | L2094-H2098 VanDerWaalsContact O-CB 3.3Å; L2094-H2098 WeakPolarHBondContact O-CB 3.41Å; L2094-H2098 PolarHBondContact O-N 3.18Å; A2095-H2098 WeakPolarHBondContact O-CB 3.39Å; A2095-H2098 PolarHBondContact O-N 3.11Å; I2096-H2098 VanDerWaalsContact C-N 3.25Å; I2096-H2098 PolarHBondContact O-N 3.09Å; H2098-A2100 VanDerWaalsContact C-N 3.32Å; H2098-A2100 PolarHBondContact O-N 3.28Å; H2098-L2101 PolarHBondContact O-N 3.09Å; H2098-Q2102 PolarHBondContact CD2-OE1 2.89Å; H2098-Q2102 VanDerWaalsContact O-CB 3.23Å; H2098-Q2102 WeakPolarHBondContact O-CB 3.32Å; H2098-Q2102 PolarHBondContact O-N 3.32Å; H2098-N2138 PolarHBondContact ND1-OD1 3.08Å; H2098-N2138 VanDerWaalsContact ND1-OD1 3.15Å; H2098-W2139 AromaticContact CE1-CD1 3.46Å; H2098-W2139 VanDerWaalsContact CE1-CD1 3.44Å; H2098-W2139 AromaticContact CE1-CE2 3.37Å; H2098-W2139 AromaticContact CE1-CZ2 3.83Å; H2098-W2139 AromaticContact CE1-NE1 2.92Å; H2098-W2139 PolarHBondContact CE1-NE1 3.01Å; H2098-W2139 AromaticContact ND1-CE2 3.87Å; H2098-W2139 AromaticContact ND1-NE1 3.75Å; H2098-W2139 AromaticContact NE2-CE2 3.74Å; H2098-W2139 AromaticContact NE2-CZ2 3.76Å; H2098-W2139 AromaticContact NE2-NE1 3.45Å; H2098-W2139 PolarHBondContact NE2-NE1 3.17Å |
| 2099 | A | 94.1 | Very high | 91.3 | Very high | 2.25 Ų | 2.25 | 16.5 Ų | 16.5 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1956 F1985 A2095 I2096 Q2102 L2103 | W1956-A2099 HydrophobicContact CE3-CB 3.83Å; W1956-A2099 HydrophobicContact CZ3-CB 4.19Å; F1985-A2099 HydrophobicContact CE1-CB 4.27Å; F1985-A2099 HydrophobicContact CE2-CB 4.18Å; F1985-A2099 HydrophobicContact CZ-CB 3.88Å; A2095-A2099 PolarHBondContact O-N 3.08Å; I2096-A2099 PolarHBondContact O-N 3.11Å; A2099-Q2102 PolarHBondContact O-N 3.13Å; A2099-L2103 WeakPolarHBondContact O-CB 3.33Å; A2099-L2103 WeakPolarHBondContact O-CG 3.35Å; A2099-L2103 PolarHBondContact O-N 3.32Å |
| 2100 | A | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64 | -48.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1985 I2038 I2041 I2096 Q2097 H2098 Q2102 L2103 V2104 | F1985-A2100 HydrophobicContact CE1-CB 4.07Å; I2038-A2100 HydrophobicContact CG1-CB 4.47Å; I2041-A2100 HydrophobicContact CB-CB 4.1Å; I2041-A2100 HydrophobicContact CD1-CB 3.78Å; I2041-A2100 HydrophobicContact CG2-CB 3.77Å; I2096-A2100 WeakPolarHBondContact O-CB 3.37Å; I2096-A2100 PolarHBondContact O-N 3.05Å; Q2097-A2100 PolarHBondContact O-N 3.37Å; H2098-A2100 VanDerWaalsContact C-N 3.32Å; H2098-A2100 PolarHBondContact O-N 3.28Å; A2100-Q2102 VanDerWaalsContact C-N 3.31Å; A2100-Q2102 PolarHBondContact O-N 3.06Å; A2100-L2103 WeakPolarHBondContact O-CB 3.38Å; A2100-L2103 PolarHBondContact O-N 3.25Å; A2100-V2104 PolarHBondContact O-N 3.14Å; A2100-V2104 VanDerWaalsContact O-N 3.1Å |
| 2101 | L | 93.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -37.3 | 178.4 | -75.6 | 170.9 | 0 | 0 | 0 | 111.7 | I2041 L2073 Q2097 H2098 V2104 T2105 L2131 L2135 | I2041-L2101 HydrophobicContact CD1-CD2 4.44Å; I2041-L2101 HydrophobicContact CD1-CG 4.09Å; I2041-L2101 HydrophobicContact CG1-CD2 4.21Å; I2041-L2101 HydrophobicContact CG1-CG 4.41Å; I2041-L2101 HydrophobicContact CG2-CD2 3.92Å; I2041-L2101 HydrophobicContact CG2-CG 4.23Å; L2073-L2101 HydrophobicContact CD2-CD2 4.42Å; Q2097-L2101 VanDerWaalsContact O-CB 3.3Å; Q2097-L2101 WeakPolarHBondContact O-CB 3.34Å; Q2097-L2101 VanDerWaalsContact O-CG 3.26Å; Q2097-L2101 WeakPolarHBondContact O-CG 3.37Å; Q2097-L2101 PolarHBondContact O-N 3.08Å; H2098-L2101 PolarHBondContact O-N 3.09Å; L2101-V2104 PolarHBondContact O-N 3.2Å; L2101-T2105 VanDerWaalsContact O-CB 3.29Å; L2101-T2105 WeakPolarHBondContact O-CB 3.38Å; L2101-T2105 PolarHBondContact O-N 3.34Å; L2101-T2105 PolarHBondContact O-OG1 3.35Å; L2101-L2131 HydrophobicContact CD2-CD2 4.4Å; L2101-L2135 HydrophobicContact CB-CD2 3.54Å; L2101-L2135 VanDerWaalsContact CB-CD2 3.5Å; L2101-L2135 HydrophobicContact CB-CG 4.23Å; L2101-L2135 HydrophobicContact CD1-CD2 4.41Å |
| 2102 | Q | 93.4 | Very high | 89.4 | Confident | 66.5 Ų | 66.5 | 21.5 Ų | 21.5 | 31% | 0.311 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 176.9 | -175.5 | 178.8 | -1.6 | 0 | 0 | 111.1 | H2098 A2099 A2100 T2105 S2106 L2135 | H2098-Q2102 PolarHBondContact CD2-OE1 2.89Å; H2098-Q2102 VanDerWaalsContact O-CB 3.23Å; H2098-Q2102 WeakPolarHBondContact O-CB 3.32Å; H2098-Q2102 PolarHBondContact O-N 3.32Å; A2099-Q2102 PolarHBondContact O-N 3.13Å; A2100-Q2102 VanDerWaalsContact C-N 3.31Å; A2100-Q2102 PolarHBondContact O-N 3.06Å; Q2102-T2105 PolarHBondContact O-N 3.06Å; Q2102-S2106 VanDerWaalsContact O-CB 3.28Å; Q2102-S2106 WeakPolarHBondContact O-CB 3.4Å; Q2102-S2106 PolarHBondContact O-N 3.23Å; Q2102-S2106 PolarHBondContact O-OG 3.02Å; Q2102-L2135 HydrophobicContact CB-CD2 4.39Å |
| 2103 | L | 91.5 | Very high | 88.4 | Confident | 8 Ų | 8 | 24 Ų | 24 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.7 | -50 | 174.4 | -82.8 | 173.2 | 0 | 0 | 0 | 111.8 | W1961 F1985 M1988 K1989 A2099 A2100 T2105 S2106 A2107 | W1961-L2103 HydrophobicContact CD2-CD2 4.46Å; W1961-L2103 HydrophobicContact CH2-CD1 3.66Å; W1961-L2103 HydrophobicContact CH2-CD2 3.56Å; W1961-L2103 HydrophobicContact CH2-CG 3.6Å; W1961-L2103 HydrophobicContact CZ2-CD1 4.24Å; W1961-L2103 HydrophobicContact CZ2-CD2 3.27Å; W1961-L2103 HydrophobicContact CZ2-CG 3.66Å; W1961-L2103 HydrophobicContact CZ3-CD1 4.25Å; W1961-L2103 HydrophobicContact CZ3-CD2 4.27Å; W1961-L2103 HydrophobicContact CZ3-CG 4.43Å; F1985-L2103 HydrophobicContact CB-CD1 4.03Å; F1985-L2103 HydrophobicContact CD1-CD1 3.66Å; F1985-L2103 HydrophobicContact CE1-CD1 4.43Å; F1985-L2103 HydrophobicContact CG-CD1 4.2Å; M1988-L2103 HydrophobicContact CB-CD1 4.44Å; M1988-L2103 HydrophobicContact CE-CB 4.35Å; M1988-L2103 HydrophobicContact CG-CD1 4.41Å; M1988-L2103 HydrophobicContact SD-CB 4.47Å; M1988-L2103 HydrophobicContact SD-CD1 4.03Å; K1989-L2103 HydrophobicContact CB-CD2 3.89Å; K1989-L2103 HydrophobicContact CD-CD2 4.47Å; K1989-L2103 HydrophobicContact CG-CD2 4.1Å; A2099-L2103 WeakPolarHBondContact O-CB 3.33Å; A2099-L2103 WeakPolarHBondContact O-CG 3.35Å; A2099-L2103 PolarHBondContact O-N 3.32Å; A2100-L2103 WeakPolarHBondContact O-CB 3.38Å; A2100-L2103 PolarHBondContact O-N 3.25Å; L2103-T2105 VanDerWaalsContact C-N 3.33Å; L2103-T2105 PolarHBondContact O-N 2.91Å; L2103-S2106 PolarHBondContact O-N 3.1Å; L2103-S2106 PolarHBondContact O-OG 3.29Å; L2103-A2107 WeakPolarHBondContact O-CB 3.44Å; L2103-A2107 PolarHBondContact O-N 3.31Å |
| 2104 | V | 89.8 | Confident | 87 | Confident | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.1 | -46.5 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 111 | M1988 I2041 A2100 L2101 S2106 A2107 L2108 L2131 | M1988-V2104 HydrophobicContact CE-CG2 3.49Å; M1988-V2104 VanDerWaalsContact CE-CG2 3.46Å; I2041-V2104 HydrophobicContact CG2-CG2 3.79Å; I2041-V2104 WeakPolarHBondContact O-CG2 3.25Å; A2100-V2104 PolarHBondContact O-N 3.14Å; A2100-V2104 VanDerWaalsContact O-N 3.1Å; L2101-V2104 PolarHBondContact O-N 3.2Å; V2104-S2106 VanDerWaalsContact C-N 3.31Å; V2104-S2106 PolarHBondContact O-N 3.09Å; V2104-A2107 PolarHBondContact O-N 3.27Å; V2104-L2108 HydrophobicContact CG1-CD1 3.91Å; V2104-L2108 HydrophobicContact CG1-CG 4.42Å; V2104-L2108 VanDerWaalsContact O-CG 3.3Å; V2104-L2108 WeakPolarHBondContact O-CG 3.24Å; V2104-L2108 PolarHBondContact O-N 3.33Å; V2104-L2131 HydrophobicContact CG1-CD1 4.42Å |
| 2105 | T | 90.5 | Very high | 85.2 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 179.3 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | L2101 Q2102 L2103 L2108 S2109 I2128 L2131 R2132 L2135 | L2101-T2105 VanDerWaalsContact O-CB 3.29Å; L2101-T2105 WeakPolarHBondContact O-CB 3.38Å; L2101-T2105 PolarHBondContact O-N 3.34Å; L2101-T2105 PolarHBondContact O-OG1 3.35Å; Q2102-T2105 PolarHBondContact O-N 3.06Å; L2103-T2105 VanDerWaalsContact C-N 3.33Å; L2103-T2105 PolarHBondContact O-N 2.91Å; T2105-L2108 PolarHBondContact O-N 3.27Å; T2105-S2109 WeakPolarHBondContact O-CB 3.46Å; T2105-S2109 PolarHBondContact O-N 2.99Å; T2105-S2109 PolarHBondContact O-OG 3.06Å; T2105-I2128 HydrophobicContact CG2-CG2 4.38Å; T2105-L2131 HydrophobicContact CG2-CB 4.41Å; T2105-R2132 HydrophobicContact CG2-CG 4.04Å; T2105-L2135 HydrophobicContact CG2-CD1 4.41Å |
| 2106 | S | 89.4 | Confident | 83.4 | Confident | 55 Ų | 55 | 43.5 Ų | 43.5 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.3 | -42 | 177.2 | 55 | 0 | 0 | 0 | 0 | 112 | Q2102 L2103 V2104 L2108 S2109 S2110 | Q2102-S2106 VanDerWaalsContact O-CB 3.28Å; Q2102-S2106 WeakPolarHBondContact O-CB 3.4Å; Q2102-S2106 PolarHBondContact O-N 3.23Å; Q2102-S2106 PolarHBondContact O-OG 3.02Å; L2103-S2106 PolarHBondContact O-N 3.1Å; L2103-S2106 PolarHBondContact O-OG 3.29Å; V2104-S2106 VanDerWaalsContact C-N 3.31Å; V2104-S2106 PolarHBondContact O-N 3.09Å; S2106-L2108 PolarHBondContact O-N 3.17Å; S2106-S2109 VanDerWaalsContact CA-OG 3.32Å; S2106-S2109 WeakPolarHBondContact CA-OG 3.37Å; S2106-S2109 PolarHBondContact O-N 3.2Å; S2106-S2109 PolarHBondContact O-OG 3.27Å; S2106-S2110 PolarHBondContact O-N 3.24Å; S2106-S2110 PolarHBondContact O-OG 2.99Å |
| 2107 | A | 86.6 | Confident | 81.6 | Confident | 31.25 Ų | 31.25 | 50.9 Ų | 50.9 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L2103 V2104 S2110 F2111 | L2103-A2107 WeakPolarHBondContact O-CB 3.44Å; L2103-A2107 PolarHBondContact O-N 3.31Å; V2104-A2107 PolarHBondContact O-N 3.27Å; A2107-S2110 WeakPolarHBondContact CA-OG 3.42Å; A2107-S2110 PolarHBondContact O-N 2.74Å; A2107-S2110 PolarHBondContact O-OG 2.92Å; A2107-F2111 WeakPolarHBondContact O-CB 3.41Å; A2107-F2111 PolarHBondContact O-N 3.24Å; A2107-F2111 VanDerWaalsContact O-N 3.15Å |
| 2108 | L | 84.7 | Confident | 79.9 | Confident | 1.5 Ų | 1.5 | 55 Ų | 55 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 174.9 | -68.6 | 170.7 | 0 | 0 | 0 | 112.1 | I2048 M2049 I2052 V2104 T2105 S2106 S2110 F2111 N2112 L2124 I2128 L2131 | I2048-L2108 HydrophobicContact CB-CD2 4.4Å; I2048-L2108 HydrophobicContact CD1-CD1 4.33Å; I2048-L2108 HydrophobicContact CG2-CD1 4.11Å; I2048-L2108 HydrophobicContact CG2-CD2 3.62Å; M2049-L2108 HydrophobicContact CG-CD2 4.09Å; M2049-L2108 HydrophobicContact SD-CD2 3.65Å; M2049-L2108 VanDerWaalsContact SD-CD2 3.59Å; I2052-L2108 HydrophobicContact CD1-CD2 4.37Å; V2104-L2108 HydrophobicContact CG1-CD1 3.91Å; V2104-L2108 HydrophobicContact CG1-CG 4.42Å; V2104-L2108 VanDerWaalsContact O-CG 3.3Å; V2104-L2108 WeakPolarHBondContact O-CG 3.24Å; V2104-L2108 PolarHBondContact O-N 3.33Å; T2105-L2108 PolarHBondContact O-N 3.27Å; S2106-L2108 PolarHBondContact O-N 3.17Å; L2108-S2110 VanDerWaalsContact C-N 3.35Å; L2108-S2110 PolarHBondContact O-N 3.24Å; L2108-F2111 WeakPolarHBondContact O-CB 3.43Å; L2108-F2111 PolarHBondContact O-N 3.22Å; L2108-F2111 VanDerWaalsContact O-N 3.16Å; L2108-N2112 PolarHBondContact O-N 3.08Å; L2108-N2112 VanDerWaalsContact O-N 3.12Å; L2108-L2124 HydrophobicContact CB-CD1 4.3Å; L2108-L2124 HydrophobicContact CD2-CD1 4.21Å; L2108-I2128 HydrophobicContact CB-CD1 4.18Å; L2108-I2128 HydrophobicContact CB-CG1 3.97Å; L2108-L2131 HydrophobicContact CD1-CD1 3.59Å |
| 2109 | S | 85.1 | Confident | 78.3 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 178.1 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | T2105 S2106 F2111 N2112 S2113 | T2105-S2109 WeakPolarHBondContact O-CB 3.46Å; T2105-S2109 PolarHBondContact O-N 2.99Å; T2105-S2109 PolarHBondContact O-OG 3.06Å; S2106-S2109 VanDerWaalsContact CA-OG 3.32Å; S2106-S2109 WeakPolarHBondContact CA-OG 3.37Å; S2106-S2109 PolarHBondContact O-N 3.2Å; S2106-S2109 PolarHBondContact O-OG 3.27Å; S2109-F2111 VanDerWaalsContact C-N 3.29Å; S2109-F2111 PolarHBondContact O-N 3.15Å; S2109-N2112 VanDerWaalsContact O-CB 3.3Å; S2109-N2112 WeakPolarHBondContact O-CB 3.22Å; S2109-N2112 PolarHBondContact O-N 3.16Å; S2109-N2112 VanDerWaalsContact O-N 3.15Å; S2109-S2113 PolarHBondContact O-N 3.08Å |
| 2110 | S | 82.9 | Confident | 76.9 | Confident | 61.75 Ų | 61.75 | 60.7 Ų | 60.7 | 43% | 0.432 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 173.3 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | S2106 A2107 L2108 N2112 S2113 D2114 | S2106-S2110 PolarHBondContact O-N 3.24Å; S2106-S2110 PolarHBondContact O-OG 2.99Å; A2107-S2110 WeakPolarHBondContact CA-OG 3.42Å; A2107-S2110 PolarHBondContact O-N 2.74Å; A2107-S2110 PolarHBondContact O-OG 2.92Å; L2108-S2110 VanDerWaalsContact C-N 3.35Å; L2108-S2110 PolarHBondContact O-N 3.24Å; S2110-N2112 VanDerWaalsContact C-N 3.29Å; S2110-N2112 PolarHBondContact O-N 2.83Å; S2110-S2113 WeakPolarHBondContact O-CB 3.31Å; S2110-S2113 PolarHBondContact O-N 3.28Å; S2110-S2113 VanDerWaalsContact O-N 3.13Å; S2110-S2113 PolarHBondContact O-OG 3.16Å; S2110-D2114 VanDerWaalsContact O-CG 3.3Å; S2110-D2114 PolarHBondContact O-N 3.1Å |
| 2111 | F | 76.1 | Confident | 75.8 | Confident | 41.75 Ų | 41.75 | 67.5 Ų | 67.5 | 18% | 0.183 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.7 | -29.8 | 175.6 | -151.8 | -100.5 | 0 | 0 | 0 | 112.9 | M2049 I2052 R2053 A2107 L2108 S2109 S2113 D2114 T2115 I2118 L2124 | M2049-F2111 HydrophobicContact CE-CB 4.36Å; M2049-F2111 HydrophobicContact CE-CD1 4.23Å; M2049-F2111 HydrophobicContact CE-CD2 3.63Å; M2049-F2111 HydrophobicContact CE-CE1 4.09Å; M2049-F2111 HydrophobicContact CE-CE2 3.78Å; M2049-F2111 VanDerWaalsContact CE-CE2 3.41Å; M2049-F2111 HydrophobicContact CE-CG 3.86Å; M2049-F2111 HydrophobicContact CE-CZ 3.73Å; M2049-F2111 HydrophobicContact SD-CB 4.37Å; M2049-F2111 HydrophobicContact SD-CD1 4.33Å; M2049-F2111 HydrophobicContact SD-CD2 4.2Å; M2049-F2111 HydrophobicContact SD-CG 4.23Å; I2052-F2111 HydrophobicContact CG2-CE1 3.83Å; R2053-F2111 HydrophobicContact CG-CZ 4.49Å; A2107-F2111 WeakPolarHBondContact O-CB 3.41Å; A2107-F2111 PolarHBondContact O-N 3.24Å; A2107-F2111 VanDerWaalsContact O-N 3.15Å; L2108-F2111 WeakPolarHBondContact O-CB 3.43Å; L2108-F2111 PolarHBondContact O-N 3.22Å; L2108-F2111 VanDerWaalsContact O-N 3.16Å; S2109-F2111 VanDerWaalsContact C-N 3.29Å; S2109-F2111 PolarHBondContact O-N 3.15Å; F2111-S2113 VanDerWaalsContact C-N 3.3Å; F2111-S2113 PolarHBondContact O-N 3.18Å; F2111-D2114 PolarHBondContact O-N 3.2Å; F2111-T2115 PolarHBondContact O-OG1 3.38Å; F2111-I2118 HydrophobicContact CD1-CD1 4.02Å; F2111-I2118 HydrophobicContact CE1-CD1 3.56Å; F2111-I2118 VanDerWaalsContact CE1-CD1 3.46Å; F2111-I2118 HydrophobicContact CE1-CG1 4.45Å; F2111-I2118 HydrophobicContact CZ-CD1 4.25Å; F2111-L2124 HydrophobicContact CD1-CD2 4.26Å |
| 2112 | N | 72.2 | Confident | 74.9 | Confident | 33.5 Ų | 33.5 | 74.6 Ų | 74.6 | 18% | 0.179 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.1 | -21.7 | 177.4 | -164.9 | 13.9 | 0 | 0 | 0 | 113.1 | L2108 S2109 S2110 D2114 R2121 L2124 N2125 I2128 | L2108-N2112 PolarHBondContact O-N 3.08Å; L2108-N2112 VanDerWaalsContact O-N 3.12Å; S2109-N2112 VanDerWaalsContact O-CB 3.3Å; S2109-N2112 WeakPolarHBondContact O-CB 3.22Å; S2109-N2112 PolarHBondContact O-N 3.16Å; S2109-N2112 VanDerWaalsContact O-N 3.15Å; S2110-N2112 VanDerWaalsContact C-N 3.29Å; S2110-N2112 PolarHBondContact O-N 2.83Å; N2112-D2114 VanDerWaalsContact C-N 3.32Å; N2112-R2121 WeakPolarHBondContact OD1-CG 3.35Å; N2112-R2121 PolarHBondContact OD1-NE 3.12Å; N2112-L2124 HydrophobicContact CB-CD2 3.9Å; N2112-N2125 PolarHBondContact ND2-OD1 3.1Å; N2112-I2128 HydrophobicContact CB-CD1 4.41Å |
| 2113 | S | 69.5 | Low | 74 | Confident | 88.5 Ų | 88.5 | 72.6 Ų | 72.6 | 62% | 0.619 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -79.9 | -29.5 | 176.2 | 37.3 | 0 | 0 | 0 | 0 | 113.2 | S2109 S2110 F2111 | S2109-S2113 PolarHBondContact O-N 3.08Å; S2110-S2113 WeakPolarHBondContact O-CB 3.31Å; S2110-S2113 PolarHBondContact O-N 3.28Å; S2110-S2113 VanDerWaalsContact O-N 3.13Å; S2110-S2113 PolarHBondContact O-OG 3.16Å; F2111-S2113 VanDerWaalsContact C-N 3.3Å; F2111-S2113 PolarHBondContact O-N 3.18Å |
| 2114 | D | 64.8 | Low | 73.4 | Confident | 114.25 Ų | 114.25 | 72.5 Ų | 72.5 | 61% | 0.611 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -83.9 | 55.4 | -171.3 | -67.2 | -16 | 0 | 0 | 0 | 112.6 | S2110 F2111 N2112 Y2116 | S2110-D2114 VanDerWaalsContact O-CG 3.3Å; S2110-D2114 PolarHBondContact O-N 3.1Å; F2111-D2114 PolarHBondContact O-N 3.2Å; N2112-D2114 VanDerWaalsContact C-N 3.32Å; D2114-Y2116 VanDerWaalsContact C-N 3.29Å; D2114-Y2116 PolarHBondContact O-N 3.39Å |
| 2115 | T | 56.8 | Low | 73.1 | Confident | 103.25 Ų | 103.25 | 75.4 Ų | 75.4 | 63% | 0.633 | 40% | 0.402 | S | S | * | . | trans | -89.6 | 91.4 | -168.7 | -37.7 | 0 | 0 | 0 | 0 | 113.7 | F2111 Q2117 I2118 | F2111-T2115 PolarHBondContact O-OG1 3.38Å; T2115-Q2117 VanDerWaalsContact C-N 3.3Å; T2115-Q2117 PolarHBondContact O-N 3.36Å; T2115-I2118 HydrophobicContact CG2-CD1 4.25Å; T2115-I2118 HydrophobicContact CG2-CG1 3.76Å | ||
| 2116 | Y | 55.7 | Low | 72.7 | Confident | 208.5 Ų | 208.5 | 77.7 Ų | 77.7 | 82% | 0.818 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 71.7 | 178.3 | -111.5 | -89.8 | 0 | 0 | 0 | 113.9 | D2114 | D2114-Y2116 VanDerWaalsContact C-N 3.29Å; D2114-Y2116 PolarHBondContact O-N 3.39Å |
| 2117 | Q | 55.7 | Low | 72.4 | Confident | 163.25 Ų | 163.25 | 75.4 Ų | 75.4 | 76% | 0.763 | 40% | 0.402 | S | S | * | . | trans | -87.6 | 93.1 | -170.5 | -69.8 | 178.9 | -12.1 | 0 | 0 | 114.5 | T2115 S2119 N2120 | T2115-Q2117 VanDerWaalsContact C-N 3.3Å; T2115-Q2117 PolarHBondContact O-N 3.36Å; Q2117-S2119 VanDerWaalsContact C-N 3.29Å; Q2117-S2119 PolarHBondContact O-N 3.38Å; Q2117-N2120 PolarHBondContact O-N 3.02Å; Q2117-N2120 VanDerWaalsContact O-N 3.17Å | ||
| 2118 | I | 58.4 | Low | 72.4 | Confident | 91.75 Ų | 91.75 | 74.8 Ų | 74.8 | 47% | 0.471 | 40% | 0.395 | S | S | . | . | trans | -71.5 | 41.8 | 179.4 | -62.2 | 168.7 | 0 | 0 | 0 | 111.6 | I2052 F2111 T2115 N2120 R2121 L2124 | I2052-I2118 HydrophobicContact CG2-CG2 4.2Å; F2111-I2118 HydrophobicContact CD1-CD1 4.02Å; F2111-I2118 HydrophobicContact CE1-CD1 3.56Å; F2111-I2118 VanDerWaalsContact CE1-CD1 3.46Å; F2111-I2118 HydrophobicContact CE1-CG1 4.45Å; F2111-I2118 HydrophobicContact CZ-CD1 4.25Å; T2115-I2118 HydrophobicContact CG2-CD1 4.25Å; T2115-I2118 HydrophobicContact CG2-CG1 3.76Å; I2118-N2120 HydrophobicContact CG2-CB 4.29Å; I2118-N2120 PolarHBondContact O-N 2.96Å; I2118-R2121 WeakPolarHBondContact O-CB 3.31Å; I2118-R2121 PolarHBondContact O-N 3.28Å; I2118-L2124 HydrophobicContact CD1-CD2 4.26Å | ||
| 2119 | S | 59.9 | Low | 72.5 | Confident | 95.75 Ų | 95.75 | 78 Ų | 78 | 67% | 0.67 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26 | 178.7 | 25.8 | 0 | 0 | 0 | 0 | 114.2 | Q2117 R2121 | Q2117-S2119 VanDerWaalsContact C-N 3.29Å; Q2117-S2119 PolarHBondContact O-N 3.38Å; S2119-R2121 VanDerWaalsContact C-N 3.31Å |
| 2120 | N | 64.8 | Low | 72.6 | Confident | 34.25 Ų | 34.25 | 79.6 Ų | 79.6 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 7.9 | -177.2 | -71.4 | -3.3 | 0 | 0 | 0 | 113.5 | I2052 Q2117 I2118 E2122 V2123 L2124 | I2052-N2120 PolarHBondContact O-ND2 3.26Å; Q2117-N2120 PolarHBondContact O-N 3.02Å; Q2117-N2120 VanDerWaalsContact O-N 3.17Å; I2118-N2120 HydrophobicContact CG2-CB 4.29Å; I2118-N2120 PolarHBondContact O-N 2.96Å; N2120-E2122 VanDerWaalsContact C-N 3.29Å; N2120-E2122 PolarHBondContact O-N 3.1Å; N2120-V2123 HydrophobicContact CB-CB 4.42Å; N2120-V2123 PolarHBondContact O-N 3.46Å; N2120-L2124 WeakPolarHBondContact O-CB 3.4Å; N2120-L2124 PolarHBondContact O-N 3.12Å; N2120-L2124 VanDerWaalsContact O-N 3.09Å |
| 2121 | R | 71.3 | Confident | 72.9 | Confident | 143.25 Ų | 143.25 | 76.7 Ų | 76.7 | 54% | 0.541 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -34.4 | -176 | -165.1 | 172.8 | -172.2 | -177.9 | -1.1 | 112.9 | N2112 I2118 S2119 L2124 N2125 | N2112-R2121 WeakPolarHBondContact OD1-CG 3.35Å; N2112-R2121 PolarHBondContact OD1-NE 3.12Å; I2118-R2121 WeakPolarHBondContact O-CB 3.31Å; I2118-R2121 PolarHBondContact O-N 3.28Å; S2119-R2121 VanDerWaalsContact C-N 3.31Å; R2121-L2124 PolarHBondContact O-N 3.11Å; R2121-N2125 VanDerWaalsContact O-CB 3.24Å; R2121-N2125 WeakPolarHBondContact O-CB 3.36Å; R2121-N2125 PolarHBondContact O-N 3.33Å; R2121-N2125 PolarHBondContact O-ND2 3.24Å; R2121-N2125 VanDerWaalsContact O-ND2 3.16Å |
| 2122 | E | 74.4 | Confident | 73.6 | Confident | 155.75 Ų | 155.75 | 80.9 Ų | 80.9 | 73% | 0.728 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.4 | -45.6 | 177.2 | -67.2 | -178.4 | 173.4 | 0 | 0 | 111.8 | N2120 L2124 N2125 S2126 | N2120-E2122 VanDerWaalsContact C-N 3.29Å; N2120-E2122 PolarHBondContact O-N 3.1Å; E2122-L2124 VanDerWaalsContact C-N 3.35Å; E2122-L2124 PolarHBondContact O-N 2.94Å; E2122-N2125 PolarHBondContact O-N 3.23Å; E2122-S2126 WeakPolarHBondContact O-CB 3.35Å; E2122-S2126 PolarHBondContact O-N 3.14Å; E2122-S2126 PolarHBondContact O-OG 2.96Å |
| 2123 | V | 74.9 | Confident | 74.4 | Confident | 24.75 Ų | 24.75 | 81.8 Ų | 81.8 | 15% | 0.15 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | E2062 L2065 N2120 S2126 T2127 | E2062-V2123 HydrophobicContact CB-CG2 4.31Å; E2062-V2123 HydrophobicContact CG-CB 4.35Å; E2062-V2123 HydrophobicContact CG-CG1 4.21Å; E2062-V2123 HydrophobicContact CG-CG2 3.9Å; E2062-V2123 WeakPolarHBondContact OE1-CG2 3.41Å; L2065-V2123 HydrophobicContact CD2-CG1 3.89Å; N2120-V2123 HydrophobicContact CB-CB 4.42Å; N2120-V2123 PolarHBondContact O-N 3.46Å; V2123-S2126 WeakPolarHBondContact CA-OG 3.33Å; V2123-S2126 PolarHBondContact O-N 2.97Å; V2123-S2126 PolarHBondContact O-OG 3.04Å; V2123-T2127 HydrophobicContact CG1-CG2 4.45Å; V2123-T2127 WeakPolarHBondContact O-CB 3.39Å; V2123-T2127 VanDerWaalsContact O-CG2 3.32Å; V2123-T2127 WeakPolarHBondContact O-CG2 3.36Å; V2123-T2127 PolarHBondContact O-N 3Å; V2123-T2127 PolarHBondContact O-OG1 3.16Å |
| 2124 | L | 78.4 | Confident | 75.4 | Confident | 5.75 Ų | 5.75 | 78.3 Ų | 78.3 | 3% | 0.03 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.1 | 177.1 | 57 | 0 | 0 | 0 | 111.4 | I2052 L2108 F2111 N2112 I2118 N2120 R2121 E2122 S2126 T2127 I2128 | I2052-L2124 HydrophobicContact CD1-CB 4.41Å; I2052-L2124 HydrophobicContact CD1-CD1 3.67Å; I2052-L2124 HydrophobicContact CD1-CG 4.47Å; L2108-L2124 HydrophobicContact CB-CD1 4.3Å; L2108-L2124 HydrophobicContact CD2-CD1 4.21Å; F2111-L2124 HydrophobicContact CD1-CD2 4.26Å; N2112-L2124 HydrophobicContact CB-CD2 3.9Å; I2118-L2124 HydrophobicContact CD1-CD2 4.26Å; N2120-L2124 WeakPolarHBondContact O-CB 3.4Å; N2120-L2124 PolarHBondContact O-N 3.12Å; N2120-L2124 VanDerWaalsContact O-N 3.09Å; R2121-L2124 PolarHBondContact O-N 3.11Å; E2122-L2124 VanDerWaalsContact C-N 3.35Å; E2122-L2124 PolarHBondContact O-N 2.94Å; L2124-S2126 PolarHBondContact O-N 3.49Å; L2124-T2127 WeakPolarHBondContact CA-OG1 3.35Å; L2124-T2127 PolarHBondContact O-N 3.24Å; L2124-T2127 PolarHBondContact O-OG1 3.12Å; L2124-I2128 HydrophobicContact CD1-CD1 3.71Å; L2124-I2128 HydrophobicContact CD1-CG1 3.99Å; L2124-I2128 HydrophobicContact CD2-CD1 4.47Å; L2124-I2128 HydrophobicContact CG-CD1 3.79Å; L2124-I2128 HydrophobicContact CG-CG1 4.45Å; L2124-I2128 WeakPolarHBondContact O-CB 3.31Å; L2124-I2128 VanDerWaalsContact O-CG1 3.27Å; L2124-I2128 WeakPolarHBondContact O-CG1 3.18Å; L2124-I2128 PolarHBondContact O-N 3.07Å |
| 2125 | N | 82.7 | Confident | 76.7 | Confident | 69.5 Ų | 69.5 | 73.1 Ų | 73.1 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 178.1 | -74.2 | -22 | 0 | 0 | 0 | 112 | N2112 R2121 E2122 T2127 I2128 S2129 | N2112-N2125 PolarHBondContact ND2-OD1 3.1Å; R2121-N2125 VanDerWaalsContact O-CB 3.24Å; R2121-N2125 WeakPolarHBondContact O-CB 3.36Å; R2121-N2125 PolarHBondContact O-N 3.33Å; R2121-N2125 PolarHBondContact O-ND2 3.24Å; R2121-N2125 VanDerWaalsContact O-ND2 3.16Å; E2122-N2125 PolarHBondContact O-N 3.23Å; N2125-T2127 VanDerWaalsContact C-N 3.35Å; N2125-I2128 PolarHBondContact O-N 3.01Å; N2125-S2129 VanDerWaalsContact O-CB 3.27Å; N2125-S2129 WeakPolarHBondContact O-CB 3.36Å; N2125-S2129 PolarHBondContact O-N 3.38Å |
| 2126 | S | 81.9 | Confident | 78.4 | Confident | 57.5 Ų | 57.5 | 68.2 Ų | 68.2 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 177.1 | 72.5 | 0 | 0 | 0 | 0 | 111.3 | E2122 V2123 L2124 S2129 R2130 | E2122-S2126 WeakPolarHBondContact O-CB 3.35Å; E2122-S2126 PolarHBondContact O-N 3.14Å; E2122-S2126 PolarHBondContact O-OG 2.96Å; V2123-S2126 WeakPolarHBondContact CA-OG 3.33Å; V2123-S2126 PolarHBondContact O-N 2.97Å; V2123-S2126 PolarHBondContact O-OG 3.04Å; L2124-S2126 PolarHBondContact O-N 3.49Å; S2126-S2129 WeakPolarHBondContact O-CB 3.31Å; S2126-S2129 PolarHBondContact O-N 3.01Å; S2126-R2130 WeakPolarHBondContact O-CB 3.27Å; S2126-R2130 VanDerWaalsContact O-CG 3.31Å; S2126-R2130 WeakPolarHBondContact O-CG 3.42Å; S2126-R2130 PolarHBondContact O-N 3.34Å |
| 2127 | T | 84 | Confident | 80.1 | Confident | 7.5 Ų | 7.5 | 62.3 Ų | 62.3 | 5% | 0.046 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.9 | -45.1 | 176.8 | -0.4 | 0 | 0 | 0 | 0 | 112.1 | I2048 L2065 V2069 V2123 L2124 N2125 S2129 R2130 L2131 | I2048-T2127 HydrophobicContact CD1-CG2 4.13Å; I2048-T2127 HydrophobicContact CG2-CG2 4.41Å; L2065-T2127 HydrophobicContact CD2-CG2 3.79Å; L2065-T2127 HydrophobicContact CG-CG2 4.21Å; V2069-T2127 HydrophobicContact CG2-CG2 4.2Å; V2123-T2127 HydrophobicContact CG1-CG2 4.45Å; V2123-T2127 WeakPolarHBondContact O-CB 3.39Å; V2123-T2127 VanDerWaalsContact O-CG2 3.32Å; V2123-T2127 WeakPolarHBondContact O-CG2 3.36Å; V2123-T2127 PolarHBondContact O-N 3Å; V2123-T2127 PolarHBondContact O-OG1 3.16Å; L2124-T2127 WeakPolarHBondContact CA-OG1 3.35Å; L2124-T2127 PolarHBondContact O-N 3.24Å; L2124-T2127 PolarHBondContact O-OG1 3.12Å; N2125-T2127 VanDerWaalsContact C-N 3.35Å; T2127-S2129 VanDerWaalsContact C-N 3.3Å; T2127-S2129 PolarHBondContact O-N 3.12Å; T2127-R2130 WeakPolarHBondContact O-CB 3.34Å; T2127-R2130 PolarHBondContact O-N 3Å; T2127-R2130 VanDerWaalsContact O-N 3.15Å; T2127-L2131 HydrophobicContact CG2-CD1 4.33Å; T2127-L2131 WeakPolarHBondContact O-CG 3.41Å; T2127-L2131 PolarHBondContact O-N 3.33Å |
| 2128 | I | 86.4 | Confident | 81.9 | Confident | 17.75 Ų | 17.75 | 55.1 Ų | 55.1 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 173.1 | -70.9 | 168.6 | 0 | 0 | 0 | 110.3 | T2105 L2108 N2112 L2124 N2125 R2130 L2131 R2132 | T2105-I2128 HydrophobicContact CG2-CG2 4.38Å; L2108-I2128 HydrophobicContact CB-CD1 4.18Å; L2108-I2128 HydrophobicContact CB-CG1 3.97Å; N2112-I2128 HydrophobicContact CB-CD1 4.41Å; L2124-I2128 HydrophobicContact CD1-CD1 3.71Å; L2124-I2128 HydrophobicContact CD1-CG1 3.99Å; L2124-I2128 HydrophobicContact CD2-CD1 4.47Å; L2124-I2128 HydrophobicContact CG-CD1 3.79Å; L2124-I2128 HydrophobicContact CG-CG1 4.45Å; L2124-I2128 WeakPolarHBondContact O-CB 3.31Å; L2124-I2128 VanDerWaalsContact O-CG1 3.27Å; L2124-I2128 WeakPolarHBondContact O-CG1 3.18Å; L2124-I2128 PolarHBondContact O-N 3.07Å; N2125-I2128 PolarHBondContact O-N 3.01Å; I2128-R2130 VanDerWaalsContact C-N 3.33Å; I2128-R2130 PolarHBondContact O-N 3.17Å; I2128-L2131 PolarHBondContact O-N 3.36Å; I2128-R2132 HydrophobicContact CG2-CG 4.41Å; I2128-R2132 WeakPolarHBondContact O-CB 3.04Å; I2128-R2132 WeakPolarHBondContact O-CG 3.38Å; I2128-R2132 PolarHBondContact O-N 3Å |
| 2129 | S | 87.1 | Confident | 83.7 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 48% | 0.476 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 176.8 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | N2125 S2126 T2127 L2131 R2132 T2133 | N2125-S2129 VanDerWaalsContact O-CB 3.27Å; N2125-S2129 WeakPolarHBondContact O-CB 3.36Å; N2125-S2129 PolarHBondContact O-N 3.38Å; S2126-S2129 WeakPolarHBondContact O-CB 3.31Å; S2126-S2129 PolarHBondContact O-N 3.01Å; T2127-S2129 VanDerWaalsContact C-N 3.3Å; T2127-S2129 PolarHBondContact O-N 3.12Å; S2129-L2131 PolarHBondContact O-N 3.02Å; S2129-R2132 PolarHBondContact O-N 3.07Å; S2129-T2133 WeakPolarHBondContact O-CB 3.3Å; S2129-T2133 PolarHBondContact O-N 3.33Å; S2129-T2133 PolarHBondContact O-OG1 3.11Å |
| 2130 | R | 87 | Confident | 85.3 | Confident | 84.5 Ų | 84.5 | 47 Ų | 47 | 32% | 0.319 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.8 | -157.6 | 82.2 | 125 | 115.8 | -1.5 | 112.5 | S2066 V2069 E2070 L2073 S2126 T2127 I2128 R2132 T2133 A2134 | S2066-R2130 PolarHBondContact O-NH2 2.98Å; S2066-R2130 PolarHBondContact OG-NH1 3.33Å; V2069-R2130 HydrophobicContact CG1-CG 4.16Å; E2070-R2130 VanDerWaalsContact CG-NH2 3.28Å; E2070-R2130 IonicContact OE1-CZ 3.5Å; E2070-R2130 IonicContact OE1-NH1 2.92Å; E2070-R2130 IonicContact OE1-NH2 3.4Å; E2070-R2130 PolarHBondContact OE1-NH2 2.95Å; E2070-R2130 IonicContact OE2-CZ 3.15Å; E2070-R2130 IonicContact OE2-NE 3.71Å; E2070-R2130 PolarHBondContact OE2-NE 3.31Å; E2070-R2130 VanDerWaalsContact OE2-NE 3.16Å; E2070-R2130 IonicContact OE2-NH1 2.86Å; E2070-R2130 IonicContact OE2-NH2 3.27Å; E2070-R2130 PolarHBondContact OE2-NH2 3.39Å; L2073-R2130 HydrophobicContact CD1-CG 4.45Å; L2073-R2130 VanDerWaalsContact CD1-CZ 3.44Å; S2126-R2130 WeakPolarHBondContact O-CB 3.27Å; S2126-R2130 VanDerWaalsContact O-CG 3.31Å; S2126-R2130 WeakPolarHBondContact O-CG 3.42Å; S2126-R2130 PolarHBondContact O-N 3.34Å; T2127-R2130 WeakPolarHBondContact O-CB 3.34Å; T2127-R2130 PolarHBondContact O-N 3Å; T2127-R2130 VanDerWaalsContact O-N 3.15Å; I2128-R2130 VanDerWaalsContact C-N 3.33Å; I2128-R2130 PolarHBondContact O-N 3.17Å; R2130-R2132 VanDerWaalsContact C-N 3.32Å; R2130-R2132 PolarHBondContact O-N 3.17Å; R2130-T2133 WeakPolarHBondContact O-CB 3.21Å; R2130-T2133 PolarHBondContact O-N 3.17Å; R2130-T2133 VanDerWaalsContact O-N 3.16Å; R2130-A2134 PolarHBondContact O-N 3.31Å |
| 2131 | L | 88.9 | Confident | 86.5 | Confident | 0.75 Ų | 0.75 | 48.8 Ų | 48.8 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.8 | -40 | 175.8 | -69.3 | 174.8 | 0 | 0 | 0 | 111.7 | L2044 I2048 V2069 L2101 V2104 T2105 L2108 T2127 I2128 S2129 T2133 A2134 L2135 | L2044-L2131 HydrophobicContact CD2-CD2 4.46Å; I2048-L2131 HydrophobicContact CD1-CD1 4.4Å; V2069-L2131 HydrophobicContact CG1-CD2 4.34Å; L2101-L2131 HydrophobicContact CD2-CD2 4.4Å; V2104-L2131 HydrophobicContact CG1-CD1 4.42Å; T2105-L2131 HydrophobicContact CG2-CB 4.41Å; L2108-L2131 HydrophobicContact CD1-CD1 3.59Å; T2127-L2131 HydrophobicContact CG2-CD1 4.33Å; T2127-L2131 WeakPolarHBondContact O-CG 3.41Å; T2127-L2131 PolarHBondContact O-N 3.33Å; I2128-L2131 PolarHBondContact O-N 3.36Å; S2129-L2131 PolarHBondContact O-N 3.02Å; L2131-T2133 VanDerWaalsContact C-N 3.33Å; L2131-T2133 PolarHBondContact O-N 2.96Å; L2131-A2134 WeakPolarHBondContact O-CB 3.4Å; L2131-A2134 PolarHBondContact O-N 3.21Å; L2131-A2134 VanDerWaalsContact O-N 3.15Å; L2131-L2135 WeakPolarHBondContact O-CG 3.34Å; L2131-L2135 PolarHBondContact O-N 3.27Å |
| 2132 | R | 91.2 | Very high | 87.6 | Confident | 130.75 Ų | 130.75 | 42.5 Ų | 42.5 | 49% | 0.493 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 172.6 | -95 | -178.1 | 117.6 | 109.3 | 1.5 | 112 | T2105 I2128 S2129 R2130 A2134 L2135 G2136 F2165 | T2105-R2132 HydrophobicContact CG2-CG 4.04Å; I2128-R2132 HydrophobicContact CG2-CG 4.41Å; I2128-R2132 WeakPolarHBondContact O-CB 3.04Å; I2128-R2132 WeakPolarHBondContact O-CG 3.38Å; I2128-R2132 PolarHBondContact O-N 3Å; S2129-R2132 PolarHBondContact O-N 3.07Å; R2130-R2132 VanDerWaalsContact C-N 3.32Å; R2130-R2132 PolarHBondContact O-N 3.17Å; R2132-A2134 VanDerWaalsContact C-N 3.33Å; R2132-L2135 WeakPolarHBondContact O-CB 3.26Å; R2132-L2135 PolarHBondContact O-N 3.29Å; R2132-G2136 PolarHBondContact O-N 3.21Å; R2132-F2165 HydrophobicContact CB-CD1 4.39Å; R2132-F2165 HydrophobicContact CG-CD1 3.46Å; R2132-F2165 VanDerWaalsContact CG-CD1 3.46Å; R2132-F2165 HydrophobicContact CG-CE1 3.7Å; R2132-F2165 WeakPolarHBondContact O-CD1 3.28Å |
| 2133 | T | 89.5 | Confident | 88.5 | Confident | 51.5 Ų | 51.5 | 35.1 Ų | 35.1 | 32% | 0.316 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 173.7 | -56 | 0 | 0 | 0 | 0 | 110.9 | S2129 R2130 L2131 L2135 G2136 Y2137 I2167 | S2129-T2133 WeakPolarHBondContact O-CB 3.3Å; S2129-T2133 PolarHBondContact O-N 3.33Å; S2129-T2133 PolarHBondContact O-OG1 3.11Å; R2130-T2133 WeakPolarHBondContact O-CB 3.21Å; R2130-T2133 PolarHBondContact O-N 3.17Å; R2130-T2133 VanDerWaalsContact O-N 3.16Å; L2131-T2133 VanDerWaalsContact C-N 3.33Å; L2131-T2133 PolarHBondContact O-N 2.96Å; T2133-L2135 PolarHBondContact O-N 3.03Å; T2133-G2136 PolarHBondContact O-N 3.11Å; T2133-Y2137 HydrophobicContact CG2-CD2 3.81Å; T2133-Y2137 HydrophobicContact CG2-CE2 3.57Å; T2133-Y2137 VanDerWaalsContact O-CD2 3.27Å; T2133-Y2137 WeakPolarHBondContact O-CD2 3.38Å; T2133-Y2137 PolarHBondContact O-N 3.04Å; T2133-I2167 HydrophobicContact CG2-CD1 4.09Å |
| 2134 | A | 89.5 | Confident | 89.3 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 12% | 0.124 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2073 R2130 L2131 R2132 G2136 Y2137 N2138 | L2073-A2134 HydrophobicContact CD1-CB 3.87Å; L2073-A2134 HydrophobicContact CD2-CB 3.81Å; L2073-A2134 HydrophobicContact CG-CB 4.41Å; R2130-A2134 PolarHBondContact O-N 3.31Å; L2131-A2134 WeakPolarHBondContact O-CB 3.4Å; L2131-A2134 PolarHBondContact O-N 3.21Å; L2131-A2134 VanDerWaalsContact O-N 3.15Å; R2132-A2134 VanDerWaalsContact C-N 3.33Å; A2134-G2136 VanDerWaalsContact C-N 3.33Å; A2134-G2136 PolarHBondContact O-N 2.89Å; A2134-Y2137 PolarHBondContact O-N 3.06Å; A2134-Y2137 VanDerWaalsContact O-N 3.15Å; A2134-N2138 WeakPolarHBondContact O-CB 3.44Å; A2134-N2138 PolarHBondContact O-N 3.02Å |
| 2135 | L | 92.4 | Very high | 89.9 | Confident | 6.25 Ų | 6.25 | 37 Ų | 37 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 173.1 | -76 | 170 | 0 | 0 | 0 | 112 | L2101 Q2102 T2105 L2131 R2132 T2133 N2138 W2139 F2165 | L2101-L2135 HydrophobicContact CB-CD2 3.54Å; L2101-L2135 VanDerWaalsContact CB-CD2 3.5Å; L2101-L2135 HydrophobicContact CB-CG 4.23Å; L2101-L2135 HydrophobicContact CD1-CD2 4.41Å; Q2102-L2135 HydrophobicContact CB-CD2 4.39Å; T2105-L2135 HydrophobicContact CG2-CD1 4.41Å; L2131-L2135 WeakPolarHBondContact O-CG 3.34Å; L2131-L2135 PolarHBondContact O-N 3.27Å; R2132-L2135 WeakPolarHBondContact O-CB 3.26Å; R2132-L2135 PolarHBondContact O-N 3.29Å; T2133-L2135 PolarHBondContact O-N 3.03Å; L2135-N2138 WeakPolarHBondContact O-CB 3.44Å; L2135-N2138 PolarHBondContact O-N 3.1Å; L2135-W2139 PolarHBondContact O-N 3.17Å; L2135-W2139 VanDerWaalsContact O-N 3.09Å; L2135-F2165 HydrophobicContact CB-CE1 4.2Å; L2135-F2165 HydrophobicContact CB-CZ 4.28Å; L2135-F2165 HydrophobicContact CD1-CE1 4.47Å |
| 2136 | G | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R2132 T2133 A2134 N2138 W2139 L2140 I2167 | R2132-G2136 PolarHBondContact O-N 3.21Å; T2133-G2136 PolarHBondContact O-N 3.11Å; A2134-G2136 VanDerWaalsContact C-N 3.33Å; A2134-G2136 PolarHBondContact O-N 2.89Å; G2136-N2138 VanDerWaalsContact C-N 3.29Å; G2136-N2138 PolarHBondContact O-N 3.12Å; G2136-W2139 WeakPolarHBondContact O-CB 3.41Å; G2136-W2139 PolarHBondContact O-N 3.1Å; G2136-W2139 VanDerWaalsContact O-N 3.17Å; G2136-L2140 PolarHBondContact O-N 2.96Å; G2136-I2167 WeakPolarHBondContact O-CD1 3.21Å |
| 2137 | Y | 92 | Very high | 90.8 | Very high | 84.5 Ų | 84.5 | 32.8 Ų | 32.8 | 33% | 0.331 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -67.2 | -34.5 | 175.9 | -81.7 | -67.9 | 0 | 0 | 0 | 112.1 | T2133 A2134 L2140 E2141 I2167 D2169 | T2133-Y2137 HydrophobicContact CG2-CD2 3.81Å; T2133-Y2137 HydrophobicContact CG2-CE2 3.57Å; T2133-Y2137 VanDerWaalsContact O-CD2 3.27Å; T2133-Y2137 WeakPolarHBondContact O-CD2 3.38Å; T2133-Y2137 PolarHBondContact O-N 3.04Å; A2134-Y2137 PolarHBondContact O-N 3.06Å; A2134-Y2137 VanDerWaalsContact O-N 3.15Å; Y2137-L2140 HydrophobicContact CD1-CD2 3.93Å; Y2137-L2140 HydrophobicContact CE1-CD2 4.25Å; Y2137-L2140 WeakPolarHBondContact O-CB 3.36Å; Y2137-L2140 PolarHBondContact O-N 3.1Å; Y2137-E2141 WeakPolarHBondContact O-CG 3.28Å; Y2137-E2141 PolarHBondContact O-N 3.18Å; Y2137-I2167 HydrophobicContact CD1-CD1 4.26Å; Y2137-I2167 HydrophobicContact CD1-CG2 4.29Å; Y2137-I2167 HydrophobicContact CD2-CD1 4.1Å; Y2137-I2167 HydrophobicContact CE1-CG2 3.99Å; Y2137-I2167 HydrophobicContact CE2-CD1 4.18Å; Y2137-I2167 HydrophobicContact CG-CD1 4.24Å; Y2137-D2169 WeakPolarHBondContact CE1-OD2 3.49Å |
| 2138 | N | 93.7 | Very high | 90.9 | Very high | 12.25 Ų | 12.25 | 38.1 Ų | 38.1 | 7% | 0.066 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 171.2 | 176.3 | -73.4 | 0 | 0 | 0 | 111.2 | L2094 H2098 A2134 L2135 G2136 L2140 E2141 R2142 | L2094-N2138 PolarHBondContact O-ND2 3.21Å; L2094-N2138 VanDerWaalsContact O-ND2 3.1Å; L2094-N2138 PolarHBondContact O-OD1 3.36Å; H2098-N2138 PolarHBondContact ND1-OD1 3.08Å; H2098-N2138 VanDerWaalsContact ND1-OD1 3.15Å; A2134-N2138 WeakPolarHBondContact O-CB 3.44Å; A2134-N2138 PolarHBondContact O-N 3.02Å; L2135-N2138 WeakPolarHBondContact O-CB 3.44Å; L2135-N2138 PolarHBondContact O-N 3.1Å; G2136-N2138 VanDerWaalsContact C-N 3.29Å; G2136-N2138 PolarHBondContact O-N 3.12Å; N2138-L2140 VanDerWaalsContact C-N 3.32Å; N2138-L2140 PolarHBondContact O-N 3.1Å; N2138-E2141 PolarHBondContact O-N 3.22Å; N2138-R2142 WeakPolarHBondContact O-CG 3.4Å; N2138-R2142 PolarHBondContact O-N 3.13Å |
| 2139 | W | 94.8 | Very high | 90.9 | Very high | 17.5 Ų | 17.5 | 38.9 Ų | 38.9 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -40.5 | 172.1 | -81.4 | 123.3 | 0 | 0 | 0 | 112.8 | P1913 H2098 L2135 G2136 R2142 A2143 C2158 R2161 A2162 F2165 | P1913-W2139 HydrophobicContact CB-CH2 4.07Å; P1913-W2139 HydrophobicContact CB-CZ3 4.38Å; P1913-W2139 HydrophobicContact CG-CH2 3.61Å; P1913-W2139 HydrophobicContact CG-CZ3 3.46Å; P1913-W2139 VanDerWaalsContact CG-CZ3 3.46Å; H2098-W2139 AromaticContact CE1-CD1 3.46Å; H2098-W2139 VanDerWaalsContact CE1-CD1 3.44Å; H2098-W2139 AromaticContact CE1-CE2 3.37Å; H2098-W2139 AromaticContact CE1-CZ2 3.83Å; H2098-W2139 AromaticContact CE1-NE1 2.92Å; H2098-W2139 PolarHBondContact CE1-NE1 3.01Å; H2098-W2139 AromaticContact ND1-CE2 3.87Å; H2098-W2139 AromaticContact ND1-NE1 3.75Å; H2098-W2139 AromaticContact NE2-CE2 3.74Å; H2098-W2139 AromaticContact NE2-CZ2 3.76Å; H2098-W2139 AromaticContact NE2-NE1 3.45Å; H2098-W2139 PolarHBondContact NE2-NE1 3.17Å; L2135-W2139 PolarHBondContact O-N 3.17Å; L2135-W2139 VanDerWaalsContact O-N 3.09Å; G2136-W2139 WeakPolarHBondContact O-CB 3.41Å; G2136-W2139 PolarHBondContact O-N 3.1Å; G2136-W2139 VanDerWaalsContact O-N 3.17Å; W2139-R2142 VanDerWaalsContact CH2-NH1 3.31Å; W2139-R2142 VanDerWaalsContact CZ3-CZ 3.48Å; W2139-R2142 WeakPolarHBondContact O-CB 3.43Å; W2139-R2142 PolarHBondContact O-N 3.18Å; W2139-A2143 WeakPolarHBondContact O-CB 3.36Å; W2139-A2143 PolarHBondContact O-N 3.26Å; W2139-C2158 HydrophobicContact CE3-CB 4.02Å; W2139-R2161 HydrophobicContact CD2-CB 3.83Å; W2139-R2161 HydrophobicContact CD2-CG 4.4Å; W2139-R2161 HydrophobicContact CE3-CB 4.39Å; W2139-R2161 HydrophobicContact CG-CB 3.89Å; W2139-R2161 HydrophobicContact CZ2-CG 4.4Å; W2139-A2162 HydrophobicContact CB-CB 4Å; W2139-F2165 AromaticContact CD1-CD2 3.85Å; W2139-F2165 AromaticContact CD1-CE2 3.55Å; W2139-F2165 VanDerWaalsContact CD1-CE2 3.41Å; W2139-F2165 AromaticContact NE1-CE2 3.69Å |
| 2140 | L | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.7 | -176.4 | 74.9 | 0 | 0 | 0 | 112 | G2136 Y2137 N2138 R2142 A2143 K2144 A2162 I2167 D2169 A2170 E2173 | G2136-L2140 PolarHBondContact O-N 2.96Å; Y2137-L2140 HydrophobicContact CD1-CD2 3.93Å; Y2137-L2140 HydrophobicContact CE1-CD2 4.25Å; Y2137-L2140 WeakPolarHBondContact O-CB 3.36Å; Y2137-L2140 PolarHBondContact O-N 3.1Å; N2138-L2140 VanDerWaalsContact C-N 3.32Å; N2138-L2140 PolarHBondContact O-N 3.1Å; L2140-R2142 VanDerWaalsContact C-N 3.34Å; L2140-A2143 WeakPolarHBondContact O-CB 3.35Å; L2140-A2143 PolarHBondContact O-N 3.19Å; L2140-K2144 HydrophobicContact CG-CD 4.42Å; L2140-K2144 WeakPolarHBondContact O-CG 3.41Å; L2140-K2144 PolarHBondContact O-N 3.15Å; L2140-A2162 HydrophobicContact CB-CB 4.48Å; L2140-I2167 HydrophobicContact CD2-CG2 4.27Å; L2140-D2169 HydrophobicContact CD1-CB 4.2Å; L2140-D2169 HydrophobicContact CD2-CB 3.46Å; L2140-D2169 VanDerWaalsContact CD2-CB 3.46Å; L2140-D2169 HydrophobicContact CG-CB 4.48Å; L2140-A2170 HydrophobicContact CD1-CB 4.48Å; L2140-E2173 HydrophobicContact CD1-CB 3.97Å; L2140-E2173 HydrophobicContact CD1-CG 3.96Å; L2140-E2173 HydrophobicContact CG-CG 4.43Å |
| 2141 | E | 91.9 | Very high | 90.9 | Very high | 73 Ų | 73 | 33.3 Ų | 33.3 | 34% | 0.341 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.3 | -39.5 | 175.9 | -71.8 | -52.5 | 128.3 | 0 | 0 | 111.6 | L2094 Y2137 N2138 A2143 K2144 L2145 | L2094-E2141 HydrophobicContact CD1-CB 4.35Å; L2094-E2141 HydrophobicContact CD2-CB 4.43Å; Y2137-E2141 WeakPolarHBondContact O-CG 3.28Å; Y2137-E2141 PolarHBondContact O-N 3.18Å; N2138-E2141 PolarHBondContact O-N 3.22Å; E2141-A2143 VanDerWaalsContact C-N 3.34Å; E2141-A2143 PolarHBondContact O-N 3.09Å; E2141-K2144 PolarHBondContact O-N 3.35Å; E2141-K2144 WeakPolarHBondContact OE1-CD 3.44Å; E2141-K2144 IonicContact OE1-NZ 3.53Å; E2141-K2144 PolarHBondContact OE1-NZ 3.39Å; E2141-L2145 VanDerWaalsContact O-CB 3.29Å; E2141-L2145 WeakPolarHBondContact O-CB 3.36Å; E2141-L2145 VanDerWaalsContact O-CG 3.32Å; E2141-L2145 WeakPolarHBondContact O-CG 3.22Å; E2141-L2145 PolarHBondContact O-N 3.36Å |
| 2142 | R | 93.1 | Very high | 90.9 | Very high | 10.5 Ų | 10.5 | 36.6 Ų | 36.6 | 4% | 0.04 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 170.4 | -69.5 | 179.4 | 69.5 | 174.5 | 3.4 | 111.7 | E2091 L2094 N2138 W2139 L2140 L2145 A2146 | E2091-R2142 IonicContact OE1-CZ 3.32Å; E2091-R2142 IonicContact OE1-NE 3.21Å; E2091-R2142 IonicContact OE1-NH2 3.63Å; E2091-R2142 PolarHBondContact OE1-NH2 3.11Å; L2094-R2142 HydrophobicContact CB-CG 3.59Å; L2094-R2142 HydrophobicContact CD1-CG 3.68Å; L2094-R2142 HydrophobicContact CG-CG 4.21Å; N2138-R2142 WeakPolarHBondContact O-CG 3.4Å; N2138-R2142 PolarHBondContact O-N 3.13Å; W2139-R2142 VanDerWaalsContact CH2-NH1 3.31Å; W2139-R2142 VanDerWaalsContact CZ3-CZ 3.48Å; W2139-R2142 WeakPolarHBondContact O-CB 3.43Å; W2139-R2142 PolarHBondContact O-N 3.18Å; L2140-R2142 VanDerWaalsContact C-N 3.34Å; R2142-L2145 PolarHBondContact O-N 3.15Å; R2142-A2146 VanDerWaalsContact O-CB 3.28Å; R2142-A2146 WeakPolarHBondContact O-CB 3.35Å; R2142-A2146 PolarHBondContact O-N 3.03Å |
| 2143 | A | 93.7 | Very high | 90.9 | Very high | 0.5 Ų | 0.5 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W2139 L2140 E2141 L2145 A2146 R2147 C2158 V2159 E2173 | W2139-A2143 WeakPolarHBondContact O-CB 3.36Å; W2139-A2143 PolarHBondContact O-N 3.26Å; L2140-A2143 WeakPolarHBondContact O-CB 3.35Å; L2140-A2143 PolarHBondContact O-N 3.19Å; E2141-A2143 VanDerWaalsContact C-N 3.34Å; E2141-A2143 PolarHBondContact O-N 3.09Å; A2143-L2145 VanDerWaalsContact C-N 3.34Å; A2143-L2145 PolarHBondContact O-N 3.12Å; A2143-A2146 PolarHBondContact O-N 3.36Å; A2143-R2147 VanDerWaalsContact O-CB 3.29Å; A2143-R2147 WeakPolarHBondContact O-CB 3.27Å; A2143-R2147 PolarHBondContact O-N 3.21Å; A2143-C2158 HydrophobicContact CB-CB 3.73Å; A2143-V2159 HydrophobicContact CB-CG2 3.78Å; A2143-E2173 HydrophobicContact CB-CG 4.06Å |
| 2144 | K | 92.3 | Very high | 90.9 | Very high | 47.25 Ų | 47.25 | 32.8 Ų | 32.8 | 21% | 0.205 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 175.6 | -74.4 | 169.5 | -175.2 | 169.4 | 0 | 111.4 | L2140 E2141 R2147 K2148 E2173 | L2140-K2144 HydrophobicContact CG-CD 4.42Å; L2140-K2144 WeakPolarHBondContact O-CG 3.41Å; L2140-K2144 PolarHBondContact O-N 3.15Å; E2141-K2144 PolarHBondContact O-N 3.35Å; E2141-K2144 WeakPolarHBondContact OE1-CD 3.44Å; E2141-K2144 IonicContact OE1-NZ 3.53Å; E2141-K2144 PolarHBondContact OE1-NZ 3.39Å; K2144-R2147 PolarHBondContact O-N 3.48Å; K2144-K2148 VanDerWaalsContact O-CB 3.29Å; K2144-K2148 WeakPolarHBondContact O-CB 3.37Å; K2144-K2148 VanDerWaalsContact O-CG 3.25Å; K2144-K2148 WeakPolarHBondContact O-CG 3.43Å; K2144-K2148 PolarHBondContact O-N 3.2Å; K2144-E2173 WeakPolarHBondContact CA-OE1 3.29Å; K2144-E2173 HydrophobicContact CG-CG 4.04Å; K2144-E2173 WeakPolarHBondContact CG-OE2 3.29Å |
| 2145 | L | 90.6 | Very high | 91.1 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 12% | 0.115 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -49.3 | 177.9 | -155 | 98.7 | 0 | 0 | 0 | 111.1 | F2087 L2090 E2091 L2094 E2141 R2142 A2143 R2147 K2148 S2149 | F2087-L2145 HydrophobicContact CB-CD2 4.44Å; F2087-L2145 HydrophobicContact CD2-CB 4.38Å; F2087-L2145 HydrophobicContact CD2-CD2 3.84Å; F2087-L2145 HydrophobicContact CD2-CG 3.82Å; F2087-L2145 HydrophobicContact CE2-CD2 4.09Å; F2087-L2145 HydrophobicContact CE2-CG 4.41Å; F2087-L2145 HydrophobicContact CG-CD2 4.11Å; L2090-L2145 HydrophobicContact CB-CD1 3.91Å; L2090-L2145 HydrophobicContact CB-CD2 3.76Å; L2090-L2145 HydrophobicContact CB-CG 4.48Å; L2090-L2145 HydrophobicContact CD1-CD1 3.88Å; L2090-L2145 VanDerWaalsContact CD1-CD1 3.49Å; L2090-L2145 HydrophobicContact CD1-CD2 3.87Å; L2090-L2145 HydrophobicContact CG-CD1 4.12Å; E2091-L2145 HydrophobicContact CB-CD2 3.96Å; E2091-L2145 HydrophobicContact CG-CD2 4.44Å; L2094-L2145 HydrophobicContact CD1-CD1 3.32Å; L2094-L2145 HydrophobicContact CD1-CD2 4.18Å; E2141-L2145 VanDerWaalsContact O-CB 3.29Å; E2141-L2145 WeakPolarHBondContact O-CB 3.36Å; E2141-L2145 VanDerWaalsContact O-CG 3.32Å; E2141-L2145 WeakPolarHBondContact O-CG 3.22Å; E2141-L2145 PolarHBondContact O-N 3.36Å; R2142-L2145 PolarHBondContact O-N 3.15Å; A2143-L2145 VanDerWaalsContact C-N 3.34Å; A2143-L2145 PolarHBondContact O-N 3.12Å; L2145-R2147 VanDerWaalsContact C-N 3.34Å; L2145-R2147 PolarHBondContact O-N 3.08Å; L2145-K2148 PolarHBondContact O-N 3.27Å; L2145-S2149 WeakPolarHBondContact O-CB 3.26Å; L2145-S2149 PolarHBondContact O-N 3.09Å; L2145-S2149 PolarHBondContact O-OG 3.18Å |
| 2146 | A | 91.4 | Very high | 91.1 | Very high | 2.25 Ų | 2.25 | 36.4 Ų | 36.4 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F2087 R2142 A2143 K2148 S2149 G2150 Q2151 A2154 A2155 | F2087-A2146 HydrophobicContact CE2-CB 3.98Å; R2142-A2146 VanDerWaalsContact O-CB 3.28Å; R2142-A2146 WeakPolarHBondContact O-CB 3.35Å; R2142-A2146 PolarHBondContact O-N 3.03Å; A2143-A2146 PolarHBondContact O-N 3.36Å; A2146-K2148 VanDerWaalsContact C-N 3.34Å; A2146-K2148 PolarHBondContact O-N 3.08Å; A2146-S2149 WeakPolarHBondContact CA-OG 3.47Å; A2146-S2149 PolarHBondContact O-N 3.23Å; A2146-S2149 PolarHBondContact O-OG 3.26Å; A2146-G2150 PolarHBondContact O-N 3.3Å; A2146-G2150 VanDerWaalsContact O-N 3.12Å; A2146-Q2151 HydrophobicContact CB-CB 4.3Å; A2146-Q2151 PolarHBondContact O-N 3.01Å; A2146-A2154 HydrophobicContact CB-CB 4.43Å; A2146-A2155 HydrophobicContact CB-CB 3.69Å |
| 2147 | R | 91.4 | Very high | 91.1 | Very high | 37.5 Ų | 37.5 | 37.3 Ų | 37.3 | 14% | 0.142 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 175.4 | -177 | -178.5 | 57 | 70.2 | 5.5 | 111.9 | A2143 K2144 L2145 S2149 G2150 A2155 E2173 L2177 K2180 | A2143-R2147 VanDerWaalsContact O-CB 3.29Å; A2143-R2147 WeakPolarHBondContact O-CB 3.27Å; A2143-R2147 PolarHBondContact O-N 3.21Å; K2144-R2147 PolarHBondContact O-N 3.48Å; L2145-R2147 VanDerWaalsContact C-N 3.34Å; L2145-R2147 PolarHBondContact O-N 3.08Å; R2147-S2149 VanDerWaalsContact C-N 3.32Å; R2147-G2150 PolarHBondContact O-N 3.01Å; R2147-A2155 HydrophobicContact CB-CB 4.23Å; R2147-E2173 WeakPolarHBondContact CB-OE1 3.4Å; R2147-E2173 WeakPolarHBondContact CD-OE1 3.38Å; R2147-E2173 IonicContact CZ-OE1 3.51Å; R2147-E2173 VanDerWaalsContact CZ-OE1 3.31Å; R2147-E2173 IonicContact CZ-OE2 3.35Å; R2147-E2173 VanDerWaalsContact CZ-OE2 3.24Å; R2147-E2173 VanDerWaalsContact NE-CD 3.29Å; R2147-E2173 IonicContact NE-OE1 3.8Å; R2147-E2173 PolarHBondContact NE-OE1 3.12Å; R2147-E2173 IonicContact NE-OE2 3.03Å; R2147-E2173 PolarHBondContact NE-OE2 3.28Å; R2147-E2173 IonicContact NH2-OE1 2.9Å; R2147-E2173 PolarHBondContact NH2-OE1 3.15Å; R2147-E2173 VanDerWaalsContact NH2-OE1 3.14Å; R2147-E2173 IonicContact NH2-OE2 3.25Å; R2147-E2173 PolarHBondContact NH2-OE2 2.96Å; R2147-L2177 HydrophobicContact CB-CD1 4.36Å; R2147-L2177 HydrophobicContact CG-CD1 4.16Å; R2147-K2180 HydrophobicContact CG-CD 4.19Å; R2147-K2180 PolarHBondContact O-NZ 3.17Å |
| 2148 | K | 87 | Confident | 91.2 | Very high | 119.25 Ų | 119.25 | 33.3 Ų | 33.3 | 52% | 0.518 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 177 | -78 | 176.9 | 179.9 | -179.4 | 0 | 111.6 | K2144 L2145 A2146 G2150 K2180 E2592 R2596 | K2144-K2148 VanDerWaalsContact O-CB 3.29Å; K2144-K2148 WeakPolarHBondContact O-CB 3.37Å; K2144-K2148 VanDerWaalsContact O-CG 3.25Å; K2144-K2148 WeakPolarHBondContact O-CG 3.43Å; K2144-K2148 PolarHBondContact O-N 3.2Å; L2145-K2148 PolarHBondContact O-N 3.27Å; A2146-K2148 VanDerWaalsContact C-N 3.34Å; A2146-K2148 PolarHBondContact O-N 3.08Å; K2148-G2150 VanDerWaalsContact C-N 3.29Å; K2148-G2150 PolarHBondContact O-N 3.33Å; K2148-K2180 PolarHBondContact O-NZ 3.18Å; K2148-E2592 WeakPolarHBondContact CB-OE1 3.28Å; K2148-R2596 PolarHBondContact O-NH2 2.94Å; K2148-R2596 VanDerWaalsContact O-NH2 3.16Å |
| 2149 | S | 84.8 | Confident | 91.2 | Very high | 34 Ų | 34 | 32.8 Ų | 32.8 | 24% | 0.238 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -74.8 | -11.8 | 176.5 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | F2087 L2145 A2146 R2147 Q2151 | F2087-S2149 VanDerWaalsContact CD2-OG 3.27Å; F2087-S2149 WeakPolarHBondContact CD2-OG 3.35Å; L2145-S2149 WeakPolarHBondContact O-CB 3.26Å; L2145-S2149 PolarHBondContact O-N 3.09Å; L2145-S2149 PolarHBondContact O-OG 3.18Å; A2146-S2149 WeakPolarHBondContact CA-OG 3.47Å; A2146-S2149 PolarHBondContact O-N 3.23Å; A2146-S2149 PolarHBondContact O-OG 3.26Å; R2147-S2149 VanDerWaalsContact C-N 3.32Å; S2149-Q2151 WeakPolarHBondContact OG-CG 2.99Å |
| 2150 | G | 86.2 | Confident | 91.1 | Very high | 28.5 Ų | 28.5 | 34.9 Ų | 34.9 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 9.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A2146 R2147 K2148 F2152 | A2146-G2150 PolarHBondContact O-N 3.3Å; A2146-G2150 VanDerWaalsContact O-N 3.12Å; R2147-G2150 PolarHBondContact O-N 3.01Å; K2148-G2150 VanDerWaalsContact C-N 3.29Å; K2148-G2150 PolarHBondContact O-N 3.33Å; G2150-F2152 WeakPolarHBondContact O-CD2 3.35Å; G2150-F2152 PolarHBondContact O-N 2.94Å |
| 2151 | Q | 88.6 | Confident | 91.1 | Very high | 6.5 Ų | 6.5 | 40.3 Ų | 40.3 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | trans | -87.8 | 84.6 | 177.3 | -63.7 | -163.7 | 12.3 | 0 | 0 | 110.6 | G1861 L1863 F2087 A2146 S2149 A2154 A2155 | G1861-Q2151 VanDerWaalsContact C-NE2 3.27Å; G1861-Q2151 PolarHBondContact O-NE2 3.29Å; L1863-Q2151 VanDerWaalsContact CB-NE2 3.35Å; L1863-Q2151 HydrophobicContact CD1-CG 4.49Å; L1863-Q2151 VanDerWaalsContact CD1-NE2 3.31Å; L1863-Q2151 HydrophobicContact CG-CG 4.42Å; L1863-Q2151 VanDerWaalsContact CG-NE2 3.29Å; F2087-Q2151 VanDerWaalsContact CD1-NE2 3.31Å; F2087-Q2151 HydrophobicContact CE1-CG 4.25Å; F2087-Q2151 VanDerWaalsContact CE1-OE1 3.3Å; F2087-Q2151 HydrophobicContact CE2-CG 4.24Å; F2087-Q2151 VanDerWaalsContact CE2-OE1 3.29Å; F2087-Q2151 VanDerWaalsContact CZ-CD 3.46Å; F2087-Q2151 HydrophobicContact CZ-CG 3.96Å; A2146-Q2151 HydrophobicContact CB-CB 4.3Å; A2146-Q2151 PolarHBondContact O-N 3.01Å; S2149-Q2151 WeakPolarHBondContact OG-CG 2.99Å; Q2151-A2154 HydrophobicContact CB-CB 4.32Å; Q2151-A2155 VanDerWaalsContact O-CB 3.26Å; Q2151-A2155 WeakPolarHBondContact O-CB 3.35Å; Q2151-A2155 PolarHBondContact O-N 3.18Å; Q2151-A2155 VanDerWaalsContact O-N 3.1Å | ||
| 2152 | F | 90 | Very high | 91.1 | Very high | 69 Ų | 69 | 36.8 Ų | 36.8 | 30% | 0.303 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -71.9 | -35.9 | -171 | -57.2 | -58.4 | 0 | 0 | 0 | 113.6 | G2150 Y2156 L2177 K2180 T2181 | G2150-F2152 WeakPolarHBondContact O-CD2 3.35Å; G2150-F2152 PolarHBondContact O-N 2.94Å; F2152-Y2156 VanDerWaalsContact O-CB 3.31Å; F2152-Y2156 WeakPolarHBondContact O-CB 3.36Å; F2152-Y2156 PolarHBondContact O-N 2.89Å; F2152-L2177 HydrophobicContact CB-CD1 4.25Å; F2152-L2177 HydrophobicContact CD1-CD1 3.82Å; F2152-L2177 HydrophobicContact CG-CD1 4.46Å; F2152-K2180 HydrophobicContact CE1-CB 3.99Å; F2152-K2180 HydrophobicContact CE1-CD 3.86Å; F2152-K2180 HydrophobicContact CE1-CG 3.66Å; F2152-K2180 HydrophobicContact CZ-CB 4.49Å; F2152-K2180 HydrophobicContact CZ-CD 4.21Å; F2152-K2180 HydrophobicContact CZ-CG 3.91Å; F2152-T2181 HydrophobicContact CB-CG2 3.99Å; F2152-T2181 HydrophobicContact CD1-CG2 3.8Å; F2152-T2181 HydrophobicContact CD2-CG2 4.09Å; F2152-T2181 HydrophobicContact CE1-CG2 4.21Å; F2152-T2181 HydrophobicContact CE2-CG2 4.48Å; F2152-T2181 HydrophobicContact CG-CG2 3.68Å |
| 2153 | M | 90.1 | Very high | 90.9 | Very high | 99.75 Ų | 99.75 | 39.2 Ų | 39.2 | 49% | 0.491 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68 | -51.3 | 179.8 | -65.8 | -59 | -70.7 | 0 | 0 | 111.3 | D1864 A2155 Y2156 T2157 | D1864-M2153 WeakPolarHBondContact OD2-CG 3.3Å; M2153-A2155 VanDerWaalsContact C-N 3.29Å; M2153-A2155 PolarHBondContact O-N 3.19Å; M2153-Y2156 WeakPolarHBondContact O-CB 3.45Å; M2153-Y2156 PolarHBondContact O-N 2.95Å; M2153-Y2156 VanDerWaalsContact O-N 3.11Å; M2153-T2157 PolarHBondContact O-N 3.11Å; M2153-T2157 PolarHBondContact O-OG1 3.09Å |
| 2154 | A | 90.3 | Very high | 90.7 | Very high | 4.25 Ų | 4.25 | 44.9 Ų | 44.9 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | D1912 A2146 Q2151 Y2156 T2157 C2158 | D1912-A2154 HydrophobicContact CB-CB 4.01Å; A2146-A2154 HydrophobicContact CB-CB 4.43Å; Q2151-A2154 HydrophobicContact CB-CB 4.32Å; A2154-Y2156 PolarHBondContact O-N 2.82Å; A2154-T2157 PolarHBondContact O-N 3.17Å; A2154-C2158 WeakPolarHBondContact O-CB 3.36Å; A2154-C2158 PolarHBondContact O-N 3.1Å; A2154-C2158 PolarHBondContact O-SG 3.32Å |
| 2155 | A | 92.3 | Very high | 90.5 | Very high | 0.25 Ų | 0.25 | 45.5 Ų | 45.5 | 0% | 0.002 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A2146 R2147 Q2151 M2153 C2158 V2159 L2177 | A2146-A2155 HydrophobicContact CB-CB 3.69Å; R2147-A2155 HydrophobicContact CB-CB 4.23Å; Q2151-A2155 VanDerWaalsContact O-CB 3.26Å; Q2151-A2155 WeakPolarHBondContact O-CB 3.35Å; Q2151-A2155 PolarHBondContact O-N 3.18Å; Q2151-A2155 VanDerWaalsContact O-N 3.1Å; M2153-A2155 VanDerWaalsContact C-N 3.29Å; M2153-A2155 PolarHBondContact O-N 3.19Å; A2155-C2158 PolarHBondContact O-N 3.14Å; A2155-V2159 VanDerWaalsContact O-CG2 3.29Å; A2155-V2159 WeakPolarHBondContact O-CG2 3.33Å; A2155-V2159 PolarHBondContact O-N 3.34Å; A2155-L2177 HydrophobicContact CB-CD1 3.55Å; A2155-L2177 VanDerWaalsContact CB-CD1 3.44Å; A2155-L2177 HydrophobicContact CB-CD2 4.23Å |
| 2156 | Y | 93.5 | Very high | 90.1 | Very high | 95.5 Ų | 95.5 | 47.4 Ų | 47.4 | 38% | 0.375 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 177.5 | -177 | -108.4 | 0 | 0 | 0 | 111.6 | F2152 M2153 A2154 C2158 V2159 L2160 L2177 | F2152-Y2156 VanDerWaalsContact O-CB 3.31Å; F2152-Y2156 WeakPolarHBondContact O-CB 3.36Å; F2152-Y2156 PolarHBondContact O-N 2.89Å; M2153-Y2156 WeakPolarHBondContact O-CB 3.45Å; M2153-Y2156 PolarHBondContact O-N 2.95Å; M2153-Y2156 VanDerWaalsContact O-N 3.11Å; A2154-Y2156 PolarHBondContact O-N 2.82Å; Y2156-C2158 VanDerWaalsContact C-N 3.34Å; Y2156-C2158 PolarHBondContact O-N 3.29Å; Y2156-V2159 WeakPolarHBondContact O-CB 3.41Å; Y2156-V2159 PolarHBondContact O-N 3.13Å; Y2156-V2159 VanDerWaalsContact O-N 3.17Å; Y2156-L2160 HydrophobicContact CD1-CD1 4.02Å; Y2156-L2160 HydrophobicContact CD1-CG 4.48Å; Y2156-L2160 HydrophobicContact CE1-CD1 3.54Å; Y2156-L2160 VanDerWaalsContact CE1-CD1 3.46Å; Y2156-L2160 HydrophobicContact CE1-CG 4.16Å; Y2156-L2160 HydrophobicContact CE2-CD2 4.49Å; Y2156-L2160 WeakPolarHBondContact O-CG 3.43Å; Y2156-L2160 PolarHBondContact O-N 3.03Å; Y2156-L2177 VanDerWaalsContact CA-CD2 3.48Å; Y2156-L2177 HydrophobicContact CD2-CD2 4.1Å; Y2156-L2177 HydrophobicContact CG-CD2 4.31Å |
| 2157 | T | 92.9 | Very high | 89.9 | Confident | 18.5 Ų | 18.5 | 47.8 Ų | 47.8 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 176 | -53 | 0 | 0 | 0 | 0 | 111.4 | D1912 P1913 A1914 M2153 A2154 V2159 L2160 R2161 | D1912-T2157 WeakPolarHBondContact OD1-CB 3.32Å; D1912-T2157 PolarHBondContact OD1-OG1 3.04Å; P1913-T2157 HydrophobicContact CB-CG2 3.83Å; P1913-T2157 HydrophobicContact CG-CG2 4.02Å; A1914-T2157 HydrophobicContact CB-CG2 3.89Å; M2153-T2157 PolarHBondContact O-N 3.11Å; M2153-T2157 PolarHBondContact O-OG1 3.09Å; A2154-T2157 PolarHBondContact O-N 3.17Å; T2157-V2159 VanDerWaalsContact C-N 3.33Å; T2157-V2159 PolarHBondContact O-N 3.17Å; T2157-L2160 PolarHBondContact O-N 3.07Å; T2157-R2161 WeakPolarHBondContact O-CG 3.39Å; T2157-R2161 PolarHBondContact O-N 3.17Å; T2157-R2161 VanDerWaalsContact O-N 3.09Å |
| 2158 | C | 93.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -36.4 | 178 | -66.9 | 0 | 0 | 0 | 0 | 112.4 | W2139 A2143 A2154 A2155 Y2156 R2161 A2162 | W2139-C2158 HydrophobicContact CE3-CB 4.02Å; A2143-C2158 HydrophobicContact CB-CB 3.73Å; A2154-C2158 WeakPolarHBondContact O-CB 3.36Å; A2154-C2158 PolarHBondContact O-N 3.1Å; A2154-C2158 PolarHBondContact O-SG 3.32Å; A2155-C2158 PolarHBondContact O-N 3.14Å; Y2156-C2158 VanDerWaalsContact C-N 3.34Å; Y2156-C2158 PolarHBondContact O-N 3.29Å; C2158-R2161 PolarHBondContact O-N 3.19Å; C2158-A2162 WeakPolarHBondContact O-CB 3.34Å; C2158-A2162 PolarHBondContact O-N 3.05Å |
| 2159 | V | 93.6 | Very high | 89.4 | Confident | 1.25 Ų | 1.25 | 42.7 Ų | 42.7 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 174.1 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | A2143 A2155 Y2156 T2157 R2161 A2162 E2163 E2173 R2174 | A2143-V2159 HydrophobicContact CB-CG2 3.78Å; A2155-V2159 VanDerWaalsContact O-CG2 3.29Å; A2155-V2159 WeakPolarHBondContact O-CG2 3.33Å; A2155-V2159 PolarHBondContact O-N 3.34Å; Y2156-V2159 WeakPolarHBondContact O-CB 3.41Å; Y2156-V2159 PolarHBondContact O-N 3.13Å; Y2156-V2159 VanDerWaalsContact O-N 3.17Å; T2157-V2159 VanDerWaalsContact C-N 3.33Å; T2157-V2159 PolarHBondContact O-N 3.17Å; V2159-R2161 VanDerWaalsContact C-N 3.3Å; V2159-R2161 PolarHBondContact O-N 3.09Å; V2159-A2162 CarbonylContact O-C 3.59Å; V2159-A2162 PolarHBondContact O-N 3.23Å; V2159-A2162 VanDerWaalsContact O-N 3.09Å; V2159-E2163 HydrophobicContact CG1-CG 4.39Å; V2159-E2163 WeakPolarHBondContact O-CG 3.4Å; V2159-E2163 PolarHBondContact O-N 3.17Å; V2159-E2173 HydrophobicContact CG2-CB 4.21Å; V2159-E2173 HydrophobicContact CG2-CG 3.92Å; V2159-R2174 HydrophobicContact CG1-CB 3.78Å; V2159-R2174 HydrophobicContact CG1-CG 4.27Å |
| 2160 | L | 93.5 | Very high | 89.6 | Confident | 61.75 Ų | 61.75 | 41.1 Ų | 41.1 | 32% | 0.323 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 177.2 | -68.9 | 176.5 | 0 | 0 | 0 | 111.4 | Y2156 T2157 A2162 E2163 D2164 | Y2156-L2160 HydrophobicContact CD1-CD1 4.02Å; Y2156-L2160 HydrophobicContact CD1-CG 4.48Å; Y2156-L2160 HydrophobicContact CE1-CD1 3.54Å; Y2156-L2160 VanDerWaalsContact CE1-CD1 3.46Å; Y2156-L2160 HydrophobicContact CE1-CG 4.16Å; Y2156-L2160 HydrophobicContact CE2-CD2 4.49Å; Y2156-L2160 WeakPolarHBondContact O-CG 3.43Å; Y2156-L2160 PolarHBondContact O-N 3.03Å; T2157-L2160 PolarHBondContact O-N 3.07Å; L2160-A2162 VanDerWaalsContact C-N 3.34Å; L2160-A2162 PolarHBondContact O-N 3.01Å; L2160-E2163 WeakPolarHBondContact O-CB 3.39Å; L2160-E2163 PolarHBondContact O-N 3.31Å; L2160-D2164 PolarHBondContact O-N 3.38Å |
| 2161 | R | 91.8 | Very high | 89.8 | Confident | 112 Ų | 112 | 40.3 Ų | 40.3 | 42% | 0.423 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61 | -42.2 | 174.9 | -65.2 | -63.1 | -169.3 | 166.1 | 4.6 | 111.7 | W2139 T2157 C2158 V2159 E2163 D2164 F2165 | W2139-R2161 HydrophobicContact CD2-CB 3.83Å; W2139-R2161 HydrophobicContact CD2-CG 4.4Å; W2139-R2161 HydrophobicContact CE3-CB 4.39Å; W2139-R2161 HydrophobicContact CG-CB 3.89Å; W2139-R2161 HydrophobicContact CZ2-CG 4.4Å; T2157-R2161 WeakPolarHBondContact O-CG 3.39Å; T2157-R2161 PolarHBondContact O-N 3.17Å; T2157-R2161 VanDerWaalsContact O-N 3.09Å; C2158-R2161 PolarHBondContact O-N 3.19Å; V2159-R2161 VanDerWaalsContact C-N 3.3Å; V2159-R2161 PolarHBondContact O-N 3.09Å; R2161-E2163 VanDerWaalsContact C-N 3.33Å; R2161-E2163 PolarHBondContact O-N 3.05Å; R2161-D2164 WeakPolarHBondContact O-CB 3.4Å; R2161-D2164 PolarHBondContact O-N 3.19Å; R2161-F2165 WeakPolarHBondContact O-CD2 3.32Å; R2161-F2165 PolarHBondContact O-N 3.1Å |
| 2162 | A | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.9 | -34.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W2139 L2140 C2158 V2159 L2160 F2165 G2166 I2167 A2170 | W2139-A2162 HydrophobicContact CB-CB 4Å; L2140-A2162 HydrophobicContact CB-CB 4.48Å; C2158-A2162 WeakPolarHBondContact O-CB 3.34Å; C2158-A2162 PolarHBondContact O-N 3.05Å; V2159-A2162 CarbonylContact O-C 3.59Å; V2159-A2162 PolarHBondContact O-N 3.23Å; V2159-A2162 VanDerWaalsContact O-N 3.09Å; L2160-A2162 VanDerWaalsContact C-N 3.34Å; L2160-A2162 PolarHBondContact O-N 3.01Å; A2162-F2165 PolarHBondContact O-N 3.2Å; A2162-G2166 PolarHBondContact O-N 3.13Å; A2162-I2167 PolarHBondContact O-N 3.14Å; A2162-A2170 HydrophobicContact CB-CB 3.97Å |
| 2163 | E | 90.1 | Very high | 89.9 | Confident | 60.75 Ų | 60.75 | 37.1 Ų | 37.1 | 28% | 0.284 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 172.5 | -71.7 | -179.6 | 166.6 | 0 | 0 | 111.1 | V2159 L2160 R2161 F2165 G2166 A2170 R2174 | V2159-E2163 HydrophobicContact CG1-CG 4.39Å; V2159-E2163 WeakPolarHBondContact O-CG 3.4Å; V2159-E2163 PolarHBondContact O-N 3.17Å; L2160-E2163 WeakPolarHBondContact O-CB 3.39Å; L2160-E2163 PolarHBondContact O-N 3.31Å; R2161-E2163 VanDerWaalsContact C-N 3.33Å; R2161-E2163 PolarHBondContact O-N 3.05Å; E2163-F2165 PolarHBondContact O-N 3.29Å; E2163-G2166 WeakPolarHBondContact O-CA 3.38Å; E2163-G2166 PolarHBondContact O-N 3.07Å; E2163-A2170 HydrophobicContact CG-CB 3.75Å; E2163-R2174 WeakPolarHBondContact OE1-CD 3.28Å; E2163-R2174 IonicContact OE1-CZ 3.75Å; E2163-R2174 IonicContact OE1-NE 2.93Å; E2163-R2174 IonicContact OE1-NH1 3.68Å; E2163-R2174 PolarHBondContact OE1-NH1 3.18Å; E2163-R2174 IonicContact OE2-NH1 2.87Å; E2163-R2174 PolarHBondContact OE2-NH1 2.97Å; E2163-R2174 VanDerWaalsContact OE2-NH1 3.12Å |
| 2164 | D | 89.3 | Confident | 90 | Very high | 121 Ų | 121 | 36 Ų | 36 | 65% | 0.647 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -60.3 | -27.9 | 175.2 | -63.8 | -28.3 | 0 | 0 | 0 | 112.7 | L2160 R2161 G2166 | L2160-D2164 PolarHBondContact O-N 3.38Å; R2161-D2164 WeakPolarHBondContact O-CB 3.4Å; R2161-D2164 PolarHBondContact O-N 3.19Å; D2164-G2166 VanDerWaalsContact C-N 3.32Å |
| 2165 | F | 87.3 | Confident | 90 | Very high | 60.25 Ų | 60.25 | 35.8 Ų | 35.8 | 26% | 0.264 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -2 | 173.9 | -73.7 | -78.6 | 0 | 0 | 0 | 113.7 | R2132 L2135 W2139 R2161 A2162 E2163 I2167 | R2132-F2165 HydrophobicContact CB-CD1 4.39Å; R2132-F2165 HydrophobicContact CG-CD1 3.46Å; R2132-F2165 VanDerWaalsContact CG-CD1 3.46Å; R2132-F2165 HydrophobicContact CG-CE1 3.7Å; R2132-F2165 WeakPolarHBondContact O-CD1 3.28Å; L2135-F2165 HydrophobicContact CB-CE1 4.2Å; L2135-F2165 HydrophobicContact CB-CZ 4.28Å; L2135-F2165 HydrophobicContact CD1-CE1 4.47Å; W2139-F2165 AromaticContact CD1-CD2 3.85Å; W2139-F2165 AromaticContact CD1-CE2 3.55Å; W2139-F2165 VanDerWaalsContact CD1-CE2 3.41Å; W2139-F2165 AromaticContact NE1-CE2 3.69Å; R2161-F2165 WeakPolarHBondContact O-CD2 3.32Å; R2161-F2165 PolarHBondContact O-N 3.1Å; A2162-F2165 PolarHBondContact O-N 3.2Å; E2163-F2165 PolarHBondContact O-N 3.29Å; F2165-I2167 HydrophobicContact CB-CG1 4.23Å |
| 2166 | G | 83.5 | Confident | 90.1 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 63% | 0.629 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 28.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A2162 E2163 D2164 P2168 | A2162-G2166 PolarHBondContact O-N 3.13Å; E2163-G2166 WeakPolarHBondContact O-CA 3.38Å; E2163-G2166 PolarHBondContact O-N 3.07Å; D2164-G2166 VanDerWaalsContact C-N 3.32Å; G2166-P2168 WeakPolarHBondContact O-CD 3.15Å |
| 2167 | I | 85.8 | Confident | 90 | Very high | 10.5 Ų | 10.5 | 34.4 Ų | 34.4 | 5% | 0.054 | 18% | 0.178 | C | C | . | . | trans | -82 | 122.2 | -178.6 | -63 | -121.1 | 0 | 0 | 0 | 111.1 | T2133 G2136 Y2137 L2140 A2162 F2165 D2169 A2170 | T2133-I2167 HydrophobicContact CG2-CD1 4.09Å; G2136-I2167 WeakPolarHBondContact O-CD1 3.21Å; Y2137-I2167 HydrophobicContact CD1-CD1 4.26Å; Y2137-I2167 HydrophobicContact CD1-CG2 4.29Å; Y2137-I2167 HydrophobicContact CD2-CD1 4.1Å; Y2137-I2167 HydrophobicContact CE1-CG2 3.99Å; Y2137-I2167 HydrophobicContact CE2-CD1 4.18Å; Y2137-I2167 HydrophobicContact CG-CD1 4.24Å; L2140-I2167 HydrophobicContact CD2-CG2 4.27Å; A2162-I2167 PolarHBondContact O-N 3.14Å; F2165-I2167 HydrophobicContact CB-CG1 4.23Å; I2167-D2169 VanDerWaalsContact C-N 3.32Å; I2167-D2169 HydrophobicContact CG2-CB 4.15Å; I2167-D2169 PolarHBondContact O-N 3.29Å; I2167-A2170 VanDerWaalsContact O-CB 3.26Å; I2167-A2170 WeakPolarHBondContact O-CB 3.37Å; I2167-A2170 PolarHBondContact O-N 3.06Å; I2167-A2170 VanDerWaalsContact O-N 3.11Å | ||
| 2168 | P | 83.1 | Confident | 89.9 | Confident | 24 Ų | 24 | 34.8 Ų | 34.8 | 16% | 0.156 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -35.5 | -177 | -0.5 | 1 | 0 | 0 | 0 | 113.6 | G2166 A2170 L2171 V2198 F2199 | G2166-P2168 WeakPolarHBondContact O-CD 3.15Å; P2168-A2170 PolarHBondContact O-N 3.09Å; P2168-A2170 VanDerWaalsContact O-N 3.15Å; P2168-L2171 WeakPolarHBondContact O-CB 3.4Å; P2168-L2171 PolarHBondContact O-N 3.1Å; P2168-V2198 HydrophobicContact CB-CG1 3.61Å; P2168-V2198 HydrophobicContact CG-CG1 4.32Å; P2168-F2199 HydrophobicContact CB-CE1 3.79Å; P2168-F2199 HydrophobicContact CB-CZ 3.93Å |
| 2169 | D | 86.1 | Confident | 89.8 | Confident | 25.75 Ų | 25.75 | 36.5 Ų | 36.5 | 14% | 0.138 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.6 | -14.9 | 180 | -68.7 | -20.1 | 0 | 0 | 0 | 113.6 | Y2137 L2140 I2167 L2171 L2172 E2173 S2225 | Y2137-D2169 WeakPolarHBondContact CE1-OD2 3.49Å; L2140-D2169 HydrophobicContact CD1-CB 4.2Å; L2140-D2169 HydrophobicContact CD2-CB 3.46Å; L2140-D2169 VanDerWaalsContact CD2-CB 3.46Å; L2140-D2169 HydrophobicContact CG-CB 4.48Å; I2167-D2169 VanDerWaalsContact C-N 3.32Å; I2167-D2169 HydrophobicContact CG2-CB 4.15Å; I2167-D2169 PolarHBondContact O-N 3.29Å; D2169-L2171 PolarHBondContact O-N 3.03Å; D2169-L2172 WeakPolarHBondContact O-CB 3.42Å; D2169-L2172 PolarHBondContact O-N 3.25Å; D2169-L2172 VanDerWaalsContact O-N 3.16Å; D2169-E2173 PolarHBondContact O-N 3.21Å; D2169-E2173 VanDerWaalsContact O-N 3.11Å; D2169-S2225 VanDerWaalsContact OD1-CB 3.24Å; D2169-S2225 WeakPolarHBondContact OD1-CB 3.37Å; D2169-S2225 PolarHBondContact OD1-OG 3.22Å; D2169-S2225 VanDerWaalsContact OD1-OG 3.05Å |
| 2170 | A | 88.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -34.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L2140 A2162 E2163 I2167 P2168 L2172 E2173 R2174 | L2140-A2170 HydrophobicContact CD1-CB 4.48Å; A2162-A2170 HydrophobicContact CB-CB 3.97Å; E2163-A2170 HydrophobicContact CG-CB 3.75Å; I2167-A2170 VanDerWaalsContact O-CB 3.26Å; I2167-A2170 WeakPolarHBondContact O-CB 3.37Å; I2167-A2170 PolarHBondContact O-N 3.06Å; I2167-A2170 VanDerWaalsContact O-N 3.11Å; P2168-A2170 PolarHBondContact O-N 3.09Å; P2168-A2170 VanDerWaalsContact O-N 3.15Å; A2170-L2172 VanDerWaalsContact C-N 3.34Å; A2170-L2172 PolarHBondContact O-N 3.02Å; A2170-E2173 PolarHBondContact O-N 3.13Å; A2170-R2174 WeakPolarHBondContact O-CB 3.42Å; A2170-R2174 PolarHBondContact O-N 3.1Å |
| 2171 | L | 88.9 | Confident | 89.4 | Confident | 12.5 Ų | 12.5 | 40.6 Ų | 40.6 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 174.3 | 177.6 | 101.9 | 0 | 0 | 0 | 112 | P2168 D2169 E2173 R2174 A2175 L2191 G2194 I2195 V2198 F2199 | P2168-L2171 WeakPolarHBondContact O-CB 3.4Å; P2168-L2171 PolarHBondContact O-N 3.1Å; D2169-L2171 PolarHBondContact O-N 3.03Å; L2171-E2173 VanDerWaalsContact C-N 3.29Å; L2171-E2173 PolarHBondContact O-N 3.36Å; L2171-R2174 PolarHBondContact O-N 3.09Å; L2171-A2175 WeakPolarHBondContact O-CB 3.44Å; L2171-A2175 PolarHBondContact O-N 3.34Å; L2171-L2191 HydrophobicContact CD2-CD2 3.69Å; L2171-G2194 VanDerWaalsContact CD1-C 3.48Å; L2171-G2194 WeakPolarHBondContact CD1-O 3.48Å; L2171-G2194 WeakPolarHBondContact CD2-O 3.21Å; L2171-I2195 HydrophobicContact CD2-CG1 4.32Å; L2171-V2198 HydrophobicContact CB-CG2 4.48Å; L2171-V2198 HydrophobicContact CD1-CG2 4.07Å; L2171-V2198 HydrophobicContact CD2-CB 4.46Å; L2171-V2198 HydrophobicContact CD2-CG2 4.16Å; L2171-F2199 HydrophobicContact CD2-CE2 4.38Å |
| 2172 | L | 89.8 | Confident | 89.2 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 177.2 | -68.3 | 176 | 0 | 0 | 0 | 110.9 | D2169 A2170 A2175 K2176 Q2228 A2229 L2232 | D2169-L2172 WeakPolarHBondContact O-CB 3.42Å; D2169-L2172 PolarHBondContact O-N 3.25Å; D2169-L2172 VanDerWaalsContact O-N 3.16Å; A2170-L2172 VanDerWaalsContact C-N 3.34Å; A2170-L2172 PolarHBondContact O-N 3.02Å; L2172-A2175 PolarHBondContact O-N 3.36Å; L2172-K2176 WeakPolarHBondContact O-CB 3.38Å; L2172-K2176 VanDerWaalsContact O-CG 3.25Å; L2172-K2176 WeakPolarHBondContact O-CG 3.41Å; L2172-K2176 PolarHBondContact O-N 2.93Å; L2172-Q2228 HydrophobicContact CD1-CB 4.18Å; L2172-A2229 HydrophobicContact CD2-CB 3.44Å; L2172-A2229 VanDerWaalsContact CD2-CB 3.44Å; L2172-A2229 HydrophobicContact CG-CB 4.36Å; L2172-L2232 HydrophobicContact CD2-CD2 4.27Å |
| 2173 | E | 91.1 | Very high | 89 | Confident | 4.5 Ų | 4.5 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.6 | -36.9 | -179.4 | -118.2 | 0.8 | 165.7 | 0 | 0 | 111.9 | L2140 A2143 K2144 R2147 V2159 D2169 A2170 L2171 A2175 K2176 L2177 | L2140-E2173 HydrophobicContact CD1-CB 3.97Å; L2140-E2173 HydrophobicContact CD1-CG 3.96Å; L2140-E2173 HydrophobicContact CG-CG 4.43Å; A2143-E2173 HydrophobicContact CB-CG 4.06Å; K2144-E2173 WeakPolarHBondContact CA-OE1 3.29Å; K2144-E2173 HydrophobicContact CG-CG 4.04Å; K2144-E2173 WeakPolarHBondContact CG-OE2 3.29Å; R2147-E2173 WeakPolarHBondContact CB-OE1 3.4Å; R2147-E2173 WeakPolarHBondContact CD-OE1 3.38Å; R2147-E2173 IonicContact CZ-OE1 3.51Å; R2147-E2173 VanDerWaalsContact CZ-OE1 3.31Å; R2147-E2173 IonicContact CZ-OE2 3.35Å; R2147-E2173 VanDerWaalsContact CZ-OE2 3.24Å; R2147-E2173 VanDerWaalsContact NE-CD 3.29Å; R2147-E2173 IonicContact NE-OE1 3.8Å; R2147-E2173 PolarHBondContact NE-OE1 3.12Å; R2147-E2173 IonicContact NE-OE2 3.03Å; R2147-E2173 PolarHBondContact NE-OE2 3.28Å; R2147-E2173 IonicContact NH2-OE1 2.9Å; R2147-E2173 PolarHBondContact NH2-OE1 3.15Å; R2147-E2173 VanDerWaalsContact NH2-OE1 3.14Å; R2147-E2173 IonicContact NH2-OE2 3.25Å; R2147-E2173 PolarHBondContact NH2-OE2 2.96Å; V2159-E2173 HydrophobicContact CG2-CB 4.21Å; V2159-E2173 HydrophobicContact CG2-CG 3.92Å; D2169-E2173 PolarHBondContact O-N 3.21Å; D2169-E2173 VanDerWaalsContact O-N 3.11Å; A2170-E2173 PolarHBondContact O-N 3.13Å; L2171-E2173 VanDerWaalsContact C-N 3.29Å; L2171-E2173 PolarHBondContact O-N 3.36Å; E2173-A2175 PolarHBondContact O-N 3.45Å; E2173-K2176 PolarHBondContact O-N 3.05Å; E2173-K2176 WeakPolarHBondContact OE1-CD 3.39Å; E2173-K2176 IonicContact OE1-NZ 3.07Å; E2173-K2176 PolarHBondContact OE1-NZ 3.36Å; E2173-L2177 VanDerWaalsContact O-CB 3.29Å; E2173-L2177 WeakPolarHBondContact O-CB 3.41Å; E2173-L2177 PolarHBondContact O-N 3.26Å |
| 2174 | R | 92.3 | Very high | 89 | Confident | 77 Ų | 77 | 49.2 Ų | 49.2 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.6 | -48.1 | 171 | -170.7 | 169.2 | 152.7 | 173.8 | 2.2 | 112 | V2159 E2163 A2170 L2171 K2176 L2177 L2178 C2190 | V2159-R2174 HydrophobicContact CG1-CB 3.78Å; V2159-R2174 HydrophobicContact CG1-CG 4.27Å; E2163-R2174 WeakPolarHBondContact OE1-CD 3.28Å; E2163-R2174 IonicContact OE1-CZ 3.75Å; E2163-R2174 IonicContact OE1-NE 2.93Å; E2163-R2174 IonicContact OE1-NH1 3.68Å; E2163-R2174 PolarHBondContact OE1-NH1 3.18Å; E2163-R2174 IonicContact OE2-NH1 2.87Å; E2163-R2174 PolarHBondContact OE2-NH1 2.97Å; E2163-R2174 VanDerWaalsContact OE2-NH1 3.12Å; A2170-R2174 WeakPolarHBondContact O-CB 3.42Å; A2170-R2174 PolarHBondContact O-N 3.1Å; L2171-R2174 PolarHBondContact O-N 3.09Å; R2174-K2176 VanDerWaalsContact C-N 3.34Å; R2174-K2176 PolarHBondContact O-N 2.78Å; R2174-L2177 WeakPolarHBondContact O-CB 3.32Å; R2174-L2177 PolarHBondContact O-N 3.08Å; R2174-L2178 HydrophobicContact CG-CD1 4.3Å; R2174-L2178 WeakPolarHBondContact O-CG 3.41Å; R2174-L2178 PolarHBondContact O-N 3.01Å; R2174-C2190 PolarHBondContact NE-SG 3.2Å; R2174-C2190 PolarHBondContact NH2-SG 3.36Å |
| 2175 | A | 91.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2171 L2172 E2173 L2177 L2178 W2179 A2187 L2191 L2232 Y2236 | L2171-A2175 WeakPolarHBondContact O-CB 3.44Å; L2171-A2175 PolarHBondContact O-N 3.34Å; L2172-A2175 PolarHBondContact O-N 3.36Å; E2173-A2175 PolarHBondContact O-N 3.45Å; A2175-L2177 VanDerWaalsContact C-N 3.32Å; A2175-L2177 PolarHBondContact O-N 3.18Å; A2175-L2178 PolarHBondContact O-N 2.98Å; A2175-W2179 WeakPolarHBondContact O-CB 3.4Å; A2175-W2179 PolarHBondContact O-N 3.22Å; A2175-A2187 WeakPolarHBondContact O-CB 3.3Å; A2175-L2191 HydrophobicContact CB-CD1 3.97Å; A2175-L2191 HydrophobicContact CB-CD2 3.52Å; A2175-L2191 VanDerWaalsContact CB-CD2 3.48Å; A2175-L2191 HydrophobicContact CB-CG 3.59Å; A2175-L2232 HydrophobicContact CB-CD2 4.13Å; A2175-Y2236 HydrophobicContact CB-CE2 4.33Å |
| 2176 | K | 93 | Very high | 89 | Confident | 57.25 Ų | 57.25 | 50.1 Ų | 50.1 | 25% | 0.249 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 174.7 | -70.9 | 170.6 | -168.2 | 168.6 | 0 | 112.6 | L2172 E2173 R2174 K2180 L2232 Y2236 | L2172-K2176 WeakPolarHBondContact O-CB 3.38Å; L2172-K2176 VanDerWaalsContact O-CG 3.25Å; L2172-K2176 WeakPolarHBondContact O-CG 3.41Å; L2172-K2176 PolarHBondContact O-N 2.93Å; E2173-K2176 PolarHBondContact O-N 3.05Å; E2173-K2176 WeakPolarHBondContact OE1-CD 3.39Å; E2173-K2176 IonicContact OE1-NZ 3.07Å; E2173-K2176 PolarHBondContact OE1-NZ 3.36Å; R2174-K2176 VanDerWaalsContact C-N 3.34Å; R2174-K2176 PolarHBondContact O-N 2.78Å; K2176-K2180 WeakPolarHBondContact O-CB 3.42Å; K2176-K2180 WeakPolarHBondContact O-CG 3.37Å; K2176-K2180 PolarHBondContact O-N 3.07Å; K2176-K2180 VanDerWaalsContact O-N 3.1Å; K2176-L2232 HydrophobicContact CG-CD1 4.46Å; K2176-L2232 HydrophobicContact CG-CD2 3.87Å; K2176-Y2236 WeakPolarHBondContact CA-OH 3.34Å |
| 2177 | L | 91.5 | Very high | 89.3 | Confident | 7.75 Ų | 7.75 | 47.2 Ų | 47.2 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -50.8 | 176.9 | -177.4 | 109.1 | 0 | 0 | 0 | 111 | R2147 F2152 A2155 Y2156 E2173 R2174 A2175 W2179 K2180 T2181 | R2147-L2177 HydrophobicContact CB-CD1 4.36Å; R2147-L2177 HydrophobicContact CG-CD1 4.16Å; F2152-L2177 HydrophobicContact CB-CD1 4.25Å; F2152-L2177 HydrophobicContact CD1-CD1 3.82Å; F2152-L2177 HydrophobicContact CG-CD1 4.46Å; A2155-L2177 HydrophobicContact CB-CD1 3.55Å; A2155-L2177 VanDerWaalsContact CB-CD1 3.44Å; A2155-L2177 HydrophobicContact CB-CD2 4.23Å; Y2156-L2177 VanDerWaalsContact CA-CD2 3.48Å; Y2156-L2177 HydrophobicContact CD2-CD2 4.1Å; Y2156-L2177 HydrophobicContact CG-CD2 4.31Å; E2173-L2177 VanDerWaalsContact O-CB 3.29Å; E2173-L2177 WeakPolarHBondContact O-CB 3.41Å; E2173-L2177 PolarHBondContact O-N 3.26Å; R2174-L2177 WeakPolarHBondContact O-CB 3.32Å; R2174-L2177 PolarHBondContact O-N 3.08Å; A2175-L2177 VanDerWaalsContact C-N 3.32Å; A2175-L2177 PolarHBondContact O-N 3.18Å; L2177-W2179 VanDerWaalsContact C-N 3.26Å; L2177-W2179 PolarHBondContact O-N 2.8Å; L2177-K2180 PolarHBondContact O-N 3.34Å; L2177-K2180 VanDerWaalsContact O-N 3.1Å; L2177-T2181 WeakPolarHBondContact O-CG2 3.46Å; L2177-T2181 PolarHBondContact O-N 3.18Å; L2177-T2181 PolarHBondContact O-OG1 3.07Å |
| 2178 | L | 92.1 | Very high | 89.4 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58 | -41 | 177.2 | -71.6 | 171.6 | 0 | 0 | 0 | 111.5 | R2174 A2175 T2181 D2182 K2183 A2186 A2187 C2190 | R2174-L2178 HydrophobicContact CG-CD1 4.3Å; R2174-L2178 WeakPolarHBondContact O-CG 3.41Å; R2174-L2178 PolarHBondContact O-N 3.01Å; A2175-L2178 PolarHBondContact O-N 2.98Å; L2178-T2181 WeakPolarHBondContact CA-OG1 3.4Å; L2178-T2181 PolarHBondContact O-N 3.14Å; L2178-T2181 PolarHBondContact O-OG1 3.24Å; L2178-T2181 VanDerWaalsContact O-OG1 3.07Å; L2178-D2182 PolarHBondContact O-N 3.31Å; L2178-K2183 HydrophobicContact CD2-CB 4.41Å; L2178-K2183 HydrophobicContact CD2-CD 4.21Å; L2178-K2183 CarbonylContact O-C 3.49Å; L2178-K2183 WeakPolarHBondContact O-CA 3.4Å; L2178-K2183 PolarHBondContact O-N 3.19Å; L2178-A2186 HydrophobicContact CD1-CB 4.32Å; L2178-A2186 HydrophobicContact CD2-CB 4.4Å; L2178-A2187 HydrophobicContact CB-CB 3.7Å; L2178-C2190 HydrophobicContact CD1-CB 4.06Å |
| 2179 | W | 91.1 | Very high | 89.6 | Confident | 37.5 Ų | 37.5 | 49 Ų | 49 | 14% | 0.142 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.8 | -168 | -91.4 | 0 | 0 | 0 | 112.7 | A2175 L2177 T2181 D2182 R2184 A2187 Y2236 E2239 T2240 | A2175-W2179 WeakPolarHBondContact O-CB 3.4Å; A2175-W2179 PolarHBondContact O-N 3.22Å; L2177-W2179 VanDerWaalsContact C-N 3.26Å; L2177-W2179 PolarHBondContact O-N 2.8Å; W2179-T2181 VanDerWaalsContact C-N 3.27Å; W2179-T2181 PolarHBondContact O-N 3.01Å; W2179-D2182 PolarHBondContact O-N 3.41Å; W2179-D2182 VanDerWaalsContact O-N 3.1Å; W2179-R2184 HydrophobicContact CD2-CG 4.41Å; W2179-R2184 HydrophobicContact CE3-CB 4.11Å; W2179-R2184 HydrophobicContact CE3-CG 4.12Å; W2179-R2184 HydrophobicContact CH2-CB 4.31Å; W2179-R2184 HydrophobicContact CH2-CG 4.19Å; W2179-R2184 HydrophobicContact CZ2-CG 4.45Å; W2179-R2184 HydrophobicContact CZ3-CB 3.78Å; W2179-R2184 HydrophobicContact CZ3-CG 3.98Å; W2179-A2187 HydrophobicContact CB-CB 4.24Å; W2179-A2187 HydrophobicContact CE3-CB 4.07Å; W2179-Y2236 HydrophobicContact CB-CE1 4.15Å; W2179-Y2236 HydrophobicContact CB-CE2 3.89Å; W2179-Y2236 VanDerWaalsContact CB-CZ 3.42Å; W2179-Y2236 VanDerWaalsContact CB-OH 3.26Å; W2179-Y2236 WeakPolarHBondContact CB-OH 3.34Å; W2179-Y2236 AromaticContact CD1-CE1 3.87Å; W2179-Y2236 AromaticContact CD2-CD1 3.57Å; W2179-Y2236 HydrophobicContact CD2-CD1 3.57Å; W2179-Y2236 VanDerWaalsContact CD2-CD1 3.47Å; W2179-Y2236 HydrophobicContact CD2-CD2 4.14Å; W2179-Y2236 AromaticContact CD2-CE1 3.35Å; W2179-Y2236 HydrophobicContact CD2-CE1 3.35Å; W2179-Y2236 VanDerWaalsContact CD2-CE1 3.46Å; W2179-Y2236 AromaticContact CD2-CE2 3.92Å; W2179-Y2236 HydrophobicContact CD2-CE2 3.95Å; W2179-Y2236 AromaticContact CD2-CG 3.9Å; W2179-Y2236 HydrophobicContact CD2-CG 3.97Å; W2179-Y2236 AromaticContact CD2-CZ 3.56Å; W2179-Y2236 VanDerWaalsContact CD2-CZ 3.47Å; W2179-Y2236 AromaticContact CE2-CD1 3.76Å; W2179-Y2236 AromaticContact CE2-CE1 3.69Å; W2179-Y2236 AromaticContact CE3-CD1 3.52Å; W2179-Y2236 HydrophobicContact CE3-CD1 3.52Å; W2179-Y2236 VanDerWaalsContact CE3-CD1 3.41Å; W2179-Y2236 AromaticContact CE3-CD2 3.49Å; W2179-Y2236 HydrophobicContact CE3-CD2 3.49Å; W2179-Y2236 VanDerWaalsContact CE3-CD2 3.45Å; W2179-Y2236 AromaticContact CE3-CE1 3.71Å; W2179-Y2236 HydrophobicContact CE3-CE1 3.71Å; W2179-Y2236 AromaticContact CE3-CE2 3.69Å; W2179-Y2236 HydrophobicContact CE3-CE2 3.69Å; W2179-Y2236 AromaticContact CE3-CG 3.41Å; W2179-Y2236 HydrophobicContact CE3-CG 3.41Å; W2179-Y2236 VanDerWaalsContact CE3-CG 3.45Å; W2179-Y2236 AromaticContact CE3-CZ 3.79Å; W2179-Y2236 HydrophobicContact CG-CD1 4.26Å; W2179-Y2236 AromaticContact CG-CE1 3.54Å; W2179-Y2236 HydrophobicContact CG-CE1 3.54Å; W2179-Y2236 VanDerWaalsContact CG-CE1 3.45Å; W2179-Y2236 AromaticContact CG-CE2 3.99Å; W2179-Y2236 HydrophobicContact CG-CE2 4.07Å; W2179-Y2236 AromaticContact CG-CZ 3.43Å; W2179-Y2236 VanDerWaalsContact CG-CZ 3.47Å; W2179-Y2236 AromaticContact CH2-CD1 3.86Å; W2179-Y2236 HydrophobicContact CH2-CD1 3.86Å; W2179-Y2236 HydrophobicContact CH2-CE1 4.48Å; W2179-Y2236 AromaticContact CH2-CG 3.94Å; W2179-Y2236 HydrophobicContact CH2-CG 4.01Å; W2179-Y2236 AromaticContact CZ2-CD1 3.89Å; W2179-Y2236 HydrophobicContact CZ2-CD1 3.93Å; W2179-Y2236 HydrophobicContact CZ2-CE1 4.32Å; W2179-Y2236 HydrophobicContact CZ2-CG 4.46Å; W2179-Y2236 VanDerWaalsContact CZ3-CB 3.44Å; W2179-Y2236 AromaticContact CZ3-CD1 3.66Å; W2179-Y2236 HydrophobicContact CZ3-CD1 3.66Å; W2179-Y2236 AromaticContact CZ3-CD2 3.9Å; W2179-Y2236 HydrophobicContact CZ3-CD2 3.9Å; W2179-Y2236 HydrophobicContact CZ3-CE1 4.31Å; W2179-Y2236 HydrophobicContact CZ3-CE2 4.49Å; W2179-Y2236 AromaticContact CZ3-CG 3.42Å; W2179-Y2236 HydrophobicContact CZ3-CG 3.42Å; W2179-Y2236 VanDerWaalsContact CZ3-CG 3.47Å; W2179-Y2236 AromaticContact NE1-CE1 3.92Å; W2179-E2239 HydrophobicContact CH2-CB 3.87Å; W2179-E2239 HydrophobicContact CZ2-CB 3.7Å; W2179-E2239 HydrophobicContact CZ2-CG 4.44Å; W2179-E2239 WeakPolarHBondContact CZ2-OE2 3.39Å; W2179-T2240 HydrophobicContact CH2-CG2 3.68Å; W2179-T2240 HydrophobicContact CZ3-CG2 3.92Å |
| 2180 | K | 88.2 | Confident | 89.8 | Confident | 103.5 Ų | 103.5 | 48.6 Ų | 48.6 | 45% | 0.45 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.7 | -26.8 | 178.2 | -125.7 | -155.7 | 176 | -178.5 | 0 | 112.9 | R2147 K2148 F2152 K2176 L2177 D2182 | R2147-K2180 HydrophobicContact CG-CD 4.19Å; R2147-K2180 PolarHBondContact O-NZ 3.17Å; K2148-K2180 PolarHBondContact O-NZ 3.18Å; F2152-K2180 HydrophobicContact CE1-CB 3.99Å; F2152-K2180 HydrophobicContact CE1-CD 3.86Å; F2152-K2180 HydrophobicContact CE1-CG 3.66Å; F2152-K2180 HydrophobicContact CZ-CB 4.49Å; F2152-K2180 HydrophobicContact CZ-CD 4.21Å; F2152-K2180 HydrophobicContact CZ-CG 3.91Å; K2176-K2180 WeakPolarHBondContact O-CB 3.42Å; K2176-K2180 WeakPolarHBondContact O-CG 3.37Å; K2176-K2180 PolarHBondContact O-N 3.07Å; K2176-K2180 VanDerWaalsContact O-N 3.1Å; L2177-K2180 PolarHBondContact O-N 3.34Å; L2177-K2180 VanDerWaalsContact O-N 3.1Å; K2180-D2182 PolarHBondContact O-N 3.3Å |
| 2181 | T | 89 | Confident | 89.7 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 14.7 | 172.9 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | F2152 L2177 L2178 W2179 K2183 | F2152-T2181 HydrophobicContact CB-CG2 3.99Å; F2152-T2181 HydrophobicContact CD1-CG2 3.8Å; F2152-T2181 HydrophobicContact CD2-CG2 4.09Å; F2152-T2181 HydrophobicContact CE1-CG2 4.21Å; F2152-T2181 HydrophobicContact CE2-CG2 4.48Å; F2152-T2181 HydrophobicContact CG-CG2 3.68Å; L2177-T2181 WeakPolarHBondContact O-CG2 3.46Å; L2177-T2181 PolarHBondContact O-N 3.18Å; L2177-T2181 PolarHBondContact O-OG1 3.07Å; L2178-T2181 WeakPolarHBondContact CA-OG1 3.4Å; L2178-T2181 PolarHBondContact O-N 3.14Å; L2178-T2181 PolarHBondContact O-OG1 3.24Å; L2178-T2181 VanDerWaalsContact O-OG1 3.07Å; W2179-T2181 VanDerWaalsContact C-N 3.27Å; W2179-T2181 PolarHBondContact O-N 3.01Å; T2181-K2183 PolarHBondContact O-N 2.94Å; T2181-K2183 VanDerWaalsContact O-N 3.13Å |
| 2182 | D | 87.5 | Confident | 89.6 | Confident | 111 Ų | 111 | 49.8 Ų | 49.8 | 59% | 0.594 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 14.8 | -178.2 | -133.5 | 14.9 | 0 | 0 | 0 | 115.6 | L2178 W2179 K2180 R2184 | L2178-D2182 PolarHBondContact O-N 3.31Å; W2179-D2182 PolarHBondContact O-N 3.41Å; W2179-D2182 VanDerWaalsContact O-N 3.1Å; K2180-D2182 PolarHBondContact O-N 3.3Å; D2182-R2184 VanDerWaalsContact C-N 3.29Å; D2182-R2184 PolarHBondContact O-N 3.18Å; D2182-R2184 VanDerWaalsContact O-N 3.11Å; D2182-R2184 IonicContact OD1-CZ 3.84Å; D2182-R2184 IonicContact OD1-NE 3.13Å; D2182-R2184 PolarHBondContact OD1-NE 3.27Å; D2182-R2184 IonicContact OD1-NH2 3.37Å; D2182-R2184 PolarHBondContact OD1-NH2 3.05Å; D2182-R2184 IonicContact OD2-NH2 3.68Å |
| 2183 | K | 89.4 | Confident | 89.4 | Confident | 128 Ų | 128 | 56.6 Ų | 56.6 | 56% | 0.557 | 27% | 0.27 | S | S | * | . | trans | -87.6 | 63.6 | 173.8 | -63.2 | -179.3 | -178.8 | 176.5 | 0 | 110.8 | L2178 T2181 E2185 A2186 A2187 | L2178-K2183 HydrophobicContact CD2-CB 4.41Å; L2178-K2183 HydrophobicContact CD2-CD 4.21Å; L2178-K2183 CarbonylContact O-C 3.49Å; L2178-K2183 WeakPolarHBondContact O-CA 3.4Å; L2178-K2183 PolarHBondContact O-N 3.19Å; T2181-K2183 PolarHBondContact O-N 2.94Å; T2181-K2183 VanDerWaalsContact O-N 3.13Å; K2183-E2185 PolarHBondContact O-N 3.11Å; K2183-A2186 HydrophobicContact CB-CB 4.08Å; K2183-A2186 PolarHBondContact O-N 3.09Å; K2183-A2187 PolarHBondContact O-N 3.31Å | ||
| 2184 | R | 89.2 | Confident | 89.1 | Confident | 115.25 Ų | 115.25 | 56.7 Ų | 56.7 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | -170 | -59.3 | -176.3 | -166.9 | 175 | 4.6 | 113.8 | W2179 D2182 A2186 A2187 Q2188 T2240 | W2179-R2184 HydrophobicContact CD2-CG 4.41Å; W2179-R2184 HydrophobicContact CE3-CB 4.11Å; W2179-R2184 HydrophobicContact CE3-CG 4.12Å; W2179-R2184 HydrophobicContact CH2-CB 4.31Å; W2179-R2184 HydrophobicContact CH2-CG 4.19Å; W2179-R2184 HydrophobicContact CZ2-CG 4.45Å; W2179-R2184 HydrophobicContact CZ3-CB 3.78Å; W2179-R2184 HydrophobicContact CZ3-CG 3.98Å; D2182-R2184 VanDerWaalsContact C-N 3.29Å; D2182-R2184 PolarHBondContact O-N 3.18Å; D2182-R2184 VanDerWaalsContact O-N 3.11Å; D2182-R2184 IonicContact OD1-CZ 3.84Å; D2182-R2184 IonicContact OD1-NE 3.13Å; D2182-R2184 PolarHBondContact OD1-NE 3.27Å; D2182-R2184 IonicContact OD1-NH2 3.37Å; D2182-R2184 PolarHBondContact OD1-NH2 3.05Å; D2182-R2184 IonicContact OD2-NH2 3.68Å; R2184-A2186 PolarHBondContact O-N 3.23Å; R2184-A2187 WeakPolarHBondContact O-CB 3.34Å; R2184-A2187 PolarHBondContact O-N 3.31Å; R2184-Q2188 WeakPolarHBondContact O-CG 3.45Å; R2184-Q2188 PolarHBondContact O-N 3.09Å; R2184-Q2188 VanDerWaalsContact O-N 3.08Å; R2184-T2240 HydrophobicContact CB-CG2 4.02Å |
| 2185 | E | 88 | Confident | 88.7 | Confident | 158.75 Ų | 158.75 | 53.3 Ų | 53.3 | 74% | 0.742 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.5 | -39.4 | 178.7 | -64 | -176.4 | 171.6 | 0 | 0 | 112.2 | K2183 A2187 Q2188 T2189 | K2183-E2185 PolarHBondContact O-N 3.11Å; E2185-A2187 VanDerWaalsContact C-N 3.34Å; E2185-A2187 PolarHBondContact O-N 3.04Å; E2185-Q2188 PolarHBondContact O-N 3.06Å; E2185-T2189 WeakPolarHBondContact O-CB 3.43Å; E2185-T2189 WeakPolarHBondContact O-CG2 3.41Å; E2185-T2189 PolarHBondContact O-N 3.24Å; E2185-T2189 PolarHBondContact O-OG1 3.19Å |
| 2186 | A | 89.1 | Confident | 88.2 | Confident | 40.5 Ų | 40.5 | 56 Ų | 56 | 34% | 0.335 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L2178 K2183 R2184 Q2188 T2189 C2190 | L2178-A2186 HydrophobicContact CD1-CB 4.32Å; L2178-A2186 HydrophobicContact CD2-CB 4.4Å; K2183-A2186 HydrophobicContact CB-CB 4.08Å; K2183-A2186 PolarHBondContact O-N 3.09Å; R2184-A2186 PolarHBondContact O-N 3.23Å; A2186-Q2188 VanDerWaalsContact C-N 3.34Å; A2186-Q2188 PolarHBondContact O-N 3.37Å; A2186-T2189 VanDerWaalsContact CA-OG1 3.31Å; A2186-T2189 WeakPolarHBondContact CA-OG1 3.26Å; A2186-T2189 PolarHBondContact O-N 3.41Å; A2186-T2189 PolarHBondContact O-OG1 3.07Å; A2186-C2190 WeakPolarHBondContact O-CB 3.31Å; A2186-C2190 PolarHBondContact O-N 3.25Å |
| 2187 | A | 89.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | A2175 L2178 W2179 K2183 R2184 E2185 C2190 L2191 Y2236 | A2175-A2187 WeakPolarHBondContact O-CB 3.3Å; L2178-A2187 HydrophobicContact CB-CB 3.7Å; W2179-A2187 HydrophobicContact CB-CB 4.24Å; W2179-A2187 HydrophobicContact CE3-CB 4.07Å; K2183-A2187 PolarHBondContact O-N 3.31Å; R2184-A2187 WeakPolarHBondContact O-CB 3.34Å; R2184-A2187 PolarHBondContact O-N 3.31Å; E2185-A2187 VanDerWaalsContact C-N 3.34Å; E2185-A2187 PolarHBondContact O-N 3.04Å; A2187-C2190 WeakPolarHBondContact O-CB 3.23Å; A2187-C2190 PolarHBondContact O-N 3.33Å; A2187-L2191 WeakPolarHBondContact O-CG 3.26Å; A2187-L2191 PolarHBondContact O-N 3.12Å; A2187-L2191 VanDerWaalsContact O-N 3.14Å; A2187-Y2236 HydrophobicContact CB-CD2 4.23Å; A2187-Y2236 HydrophobicContact CB-CE2 4.06Å |
| 2188 | Q | 87.4 | Confident | 87 | Confident | 10.5 Ų | 10.5 | 62.3 Ų | 62.3 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.4 | -48.1 | 176.8 | -72.3 | -177.4 | -3.9 | 0 | 0 | 112.5 | R2184 E2185 A2186 C2190 L2191 D2192 Y2236 T2240 R2242 | R2184-Q2188 WeakPolarHBondContact O-CG 3.45Å; R2184-Q2188 PolarHBondContact O-N 3.09Å; R2184-Q2188 VanDerWaalsContact O-N 3.08Å; E2185-Q2188 PolarHBondContact O-N 3.06Å; A2186-Q2188 VanDerWaalsContact C-N 3.34Å; A2186-Q2188 PolarHBondContact O-N 3.37Å; Q2188-C2190 PolarHBondContact O-N 3.07Å; Q2188-L2191 CarbonylContact O-C 3.51Å; Q2188-L2191 WeakPolarHBondContact O-CA 3.19Å; Q2188-L2191 PolarHBondContact O-N 3.33Å; Q2188-D2192 WeakPolarHBondContact O-CB 3.46Å; Q2188-D2192 PolarHBondContact O-N 3.1Å; Q2188-Y2236 VanDerWaalsContact NE2-C 3.28Å; Q2188-Y2236 PolarHBondContact NE2-O 3.02Å; Q2188-T2240 PolarHBondContact NE2-OG1 3.12Å; Q2188-R2242 VanDerWaalsContact OE1-NH1 3.13Å |
| 2189 | T | 89 | Confident | 86.3 | Confident | 62.75 Ų | 62.75 | 62.3 Ų | 62.3 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.1 | -34.7 | 177.5 | 31.4 | 0 | 0 | 0 | 0 | 111.6 | E2185 A2186 D2192 K2193 | E2185-T2189 WeakPolarHBondContact O-CB 3.43Å; E2185-T2189 WeakPolarHBondContact O-CG2 3.41Å; E2185-T2189 PolarHBondContact O-N 3.24Å; E2185-T2189 PolarHBondContact O-OG1 3.19Å; A2186-T2189 VanDerWaalsContact CA-OG1 3.31Å; A2186-T2189 WeakPolarHBondContact CA-OG1 3.26Å; A2186-T2189 PolarHBondContact O-N 3.41Å; A2186-T2189 PolarHBondContact O-OG1 3.07Å; T2189-D2192 PolarHBondContact O-N 3.5Å; T2189-K2193 HydrophobicContact CG2-CD 4Å; T2189-K2193 HydrophobicContact CG2-CG 4.41Å; T2189-K2193 WeakPolarHBondContact O-CB 3.07Å; T2189-K2193 WeakPolarHBondContact O-CG 3.36Å; T2189-K2193 PolarHBondContact O-N 3.13Å |
| 2190 | C | 89.1 | Confident | 85.1 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 171.3 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | R2174 L2178 A2186 A2187 Q2188 G2194 | R2174-C2190 PolarHBondContact NE-SG 3.2Å; R2174-C2190 PolarHBondContact NH2-SG 3.36Å; L2178-C2190 HydrophobicContact CD1-CB 4.06Å; A2186-C2190 WeakPolarHBondContact O-CB 3.31Å; A2186-C2190 PolarHBondContact O-N 3.25Å; A2187-C2190 WeakPolarHBondContact O-CB 3.23Å; A2187-C2190 PolarHBondContact O-N 3.33Å; Q2188-C2190 PolarHBondContact O-N 3.07Å; C2190-G2194 WeakPolarHBondContact O-CA 3.38Å; C2190-G2194 PolarHBondContact O-N 3.29Å |
| 2191 | L | 87.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.5 | -43.5 | 177.4 | -68.1 | 173.4 | 0 | 0 | 0 | 112.4 | L2171 A2175 A2187 Q2188 K2193 G2194 I2195 L2232 R2233 Y2236 | L2171-L2191 HydrophobicContact CD2-CD2 3.69Å; A2175-L2191 HydrophobicContact CB-CD1 3.97Å; A2175-L2191 HydrophobicContact CB-CD2 3.52Å; A2175-L2191 VanDerWaalsContact CB-CD2 3.48Å; A2175-L2191 HydrophobicContact CB-CG 3.59Å; A2187-L2191 WeakPolarHBondContact O-CG 3.26Å; A2187-L2191 PolarHBondContact O-N 3.12Å; A2187-L2191 VanDerWaalsContact O-N 3.14Å; Q2188-L2191 CarbonylContact O-C 3.51Å; Q2188-L2191 WeakPolarHBondContact O-CA 3.19Å; Q2188-L2191 PolarHBondContact O-N 3.33Å; L2191-K2193 VanDerWaalsContact C-N 3.31Å; L2191-K2193 PolarHBondContact O-N 3.26Å; L2191-G2194 PolarHBondContact O-N 3.16Å; L2191-I2195 HydrophobicContact CB-CD1 4.2Å; L2191-I2195 HydrophobicContact CD2-CD1 4.43Å; L2191-I2195 VanDerWaalsContact O-CB 3.26Å; L2191-I2195 WeakPolarHBondContact O-CB 3.36Å; L2191-I2195 WeakPolarHBondContact O-CD1 3.37Å; L2191-I2195 VanDerWaalsContact O-CG1 3.24Å; L2191-I2195 WeakPolarHBondContact O-CG1 3.34Å; L2191-I2195 PolarHBondContact O-N 3.3Å; L2191-L2232 HydrophobicContact CD1-CB 4.37Å; L2191-L2232 HydrophobicContact CD1-CD2 4.23Å; L2191-L2232 HydrophobicContact CD1-CG 4.09Å; L2191-L2232 HydrophobicContact CD2-CD2 4.44Å; L2191-R2233 HydrophobicContact CB-CB 4.26Å; L2191-R2233 HydrophobicContact CB-CG 4.4Å; L2191-R2233 HydrophobicContact CD1-CB 4.07Å; L2191-Y2236 HydrophobicContact CD1-CD2 3.67Å; L2191-Y2236 HydrophobicContact CD1-CE2 4.01Å; L2191-Y2236 HydrophobicContact CD1-CG 4.48Å |
| 2192 | D | 86.8 | Confident | 82.1 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 20% | 0.198 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -40.7 | -179.1 | -75.3 | -28.7 | 0 | 0 | 0 | 111.7 | Q2188 T2189 P2196 R2233 R2242 | Q2188-D2192 WeakPolarHBondContact O-CB 3.46Å; Q2188-D2192 PolarHBondContact O-N 3.1Å; T2189-D2192 PolarHBondContact O-N 3.5Å; D2192-P2196 VanDerWaalsContact O-CD 3.22Å; D2192-P2196 WeakPolarHBondContact O-CD 3.36Å; D2192-P2196 WeakPolarHBondContact O-CG 3.24Å; D2192-R2233 IonicContact OD1-CZ 3.47Å; D2192-R2233 VanDerWaalsContact OD1-CZ 3.26Å; D2192-R2233 IonicContact OD1-NE 3.48Å; D2192-R2233 PolarHBondContact OD1-NE 3.11Å; D2192-R2233 IonicContact OD1-NH2 3.1Å; D2192-R2233 PolarHBondContact OD1-NH2 3.12Å; D2192-R2242 IonicContact OD2-CZ 2.91Å; D2192-R2242 IonicContact OD2-NH1 3.71Å; D2192-R2242 PolarHBondContact OD2-NH1 3.3Å; D2192-R2242 VanDerWaalsContact OD2-NH1 3.09Å; D2192-R2242 IonicContact OD2-NH2 3.35Å |
| 2193 | K | 86.5 | Confident | 80.7 | Confident | 146.75 Ų | 146.75 | 60.2 Ų | 60.2 | 64% | 0.638 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -81.2 | -46.8 | 177.3 | -66.9 | -179.6 | 179.2 | -178 | 0 | 112.2 | T2189 L2191 I2195 P2196 D2197 | T2189-K2193 HydrophobicContact CG2-CD 4Å; T2189-K2193 HydrophobicContact CG2-CG 4.41Å; T2189-K2193 WeakPolarHBondContact O-CB 3.07Å; T2189-K2193 WeakPolarHBondContact O-CG 3.36Å; T2189-K2193 PolarHBondContact O-N 3.13Å; L2191-K2193 VanDerWaalsContact C-N 3.31Å; L2191-K2193 PolarHBondContact O-N 3.26Å; K2193-I2195 PolarHBondContact O-N 2.84Å; K2193-P2196 VanDerWaalsContact O-CD 3.28Å; K2193-P2196 WeakPolarHBondContact O-CD 3.32Å; K2193-D2197 VanDerWaalsContact O-CG 3.29Å; K2193-D2197 PolarHBondContact O-N 3.11Å; K2193-D2197 VanDerWaalsContact O-OD2 3.14Å |
| 2194 | G | 83.2 | Confident | 79.1 | Confident | 7.25 Ų | 7.25 | 60.2 Ų | 60.2 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -77.8 | -22.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2171 C2190 L2191 D2197 V2198 | L2171-G2194 VanDerWaalsContact CD1-C 3.48Å; L2171-G2194 WeakPolarHBondContact CD1-O 3.48Å; L2171-G2194 WeakPolarHBondContact CD2-O 3.21Å; C2190-G2194 WeakPolarHBondContact O-CA 3.38Å; C2190-G2194 PolarHBondContact O-N 3.29Å; L2191-G2194 PolarHBondContact O-N 3.16Å; G2194-D2197 PolarHBondContact O-N 3.06Å; G2194-V2198 VanDerWaalsContact O-CB 3.26Å; G2194-V2198 WeakPolarHBondContact O-CB 3.32Å; G2194-V2198 VanDerWaalsContact O-CG2 3.29Å; G2194-V2198 WeakPolarHBondContact O-CG2 3.33Å; G2194-V2198 PolarHBondContact O-N 3.07Å |
| 2195 | I | 84.5 | Confident | 77.2 | Confident | 5.75 Ų | 5.75 | 59.1 Ų | 59.1 | 3% | 0.029 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.1 | -51.4 | 175.4 | -72.6 | 168.5 | 0 | 0 | 0 | 111.2 | L2171 L2191 K2193 D2197 F2199 G2200 I2203 A2229 L2230 R2233 | L2171-I2195 HydrophobicContact CD2-CG1 4.32Å; L2191-I2195 HydrophobicContact CB-CD1 4.2Å; L2191-I2195 HydrophobicContact CD2-CD1 4.43Å; L2191-I2195 VanDerWaalsContact O-CB 3.26Å; L2191-I2195 WeakPolarHBondContact O-CB 3.36Å; L2191-I2195 WeakPolarHBondContact O-CD1 3.37Å; L2191-I2195 VanDerWaalsContact O-CG1 3.24Å; L2191-I2195 WeakPolarHBondContact O-CG1 3.34Å; L2191-I2195 PolarHBondContact O-N 3.3Å; K2193-I2195 PolarHBondContact O-N 2.84Å; I2195-D2197 VanDerWaalsContact C-N 3.32Å; I2195-D2197 PolarHBondContact O-N 3.26Å; I2195-F2199 HydrophobicContact CG1-CD2 4.43Å; I2195-F2199 HydrophobicContact CG2-CD2 4.41Å; I2195-F2199 WeakPolarHBondContact O-CA 3.38Å; I2195-F2199 WeakPolarHBondContact O-CB 3.41Å; I2195-F2199 PolarHBondContact O-N 3.25Å; I2195-G2200 PolarHBondContact O-N 3.2Å; I2195-I2203 HydrophobicContact CG2-CD1 3.47Å; I2195-I2203 VanDerWaalsContact CG2-CD1 3.49Å; I2195-A2229 HydrophobicContact CD1-CB 4Å; I2195-A2229 HydrophobicContact CG1-CB 3.95Å; I2195-L2230 HydrophobicContact CD1-CD2 4.43Å; I2195-L2230 HydrophobicContact CG2-CD2 4.25Å; I2195-R2233 HydrophobicContact CD1-CB 4.11Å; I2195-R2233 HydrophobicContact CD1-CG 4.46Å |
| 2196 | P | 82.3 | Confident | 75.5 | Confident | 55.5 Ų | 55.5 | 55.3 Ų | 55.3 | 36% | 0.36 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.7 | -41.2 | 171.1 | -26 | 32.3 | 0 | 0 | 0 | 113.8 | D2192 K2193 G2200 | D2192-P2196 VanDerWaalsContact O-CD 3.22Å; D2192-P2196 WeakPolarHBondContact O-CD 3.36Å; D2192-P2196 WeakPolarHBondContact O-CG 3.24Å; K2193-P2196 VanDerWaalsContact O-CD 3.28Å; K2193-P2196 WeakPolarHBondContact O-CD 3.32Å; P2196-G2200 CarbonylContact O-C 3.5Å; P2196-G2200 WeakPolarHBondContact O-CA 3.32Å; P2196-G2200 PolarHBondContact O-N 3.11Å |
| 2197 | D | 81 | Confident | 73.4 | Confident | 133.25 Ų | 133.25 | 63.4 Ų | 63.4 | 71% | 0.713 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.8 | -43.1 | -175.5 | -64.8 | -19.8 | 0 | 0 | 0 | 112.4 | K2193 G2194 I2195 | K2193-D2197 VanDerWaalsContact O-CG 3.29Å; K2193-D2197 PolarHBondContact O-N 3.11Å; K2193-D2197 VanDerWaalsContact O-OD2 3.14Å; G2194-D2197 PolarHBondContact O-N 3.06Å; I2195-D2197 VanDerWaalsContact C-N 3.32Å; I2195-D2197 PolarHBondContact O-N 3.26Å |
| 2198 | V | 76.5 | Confident | 71.3 | Confident | 65 Ų | 65 | 69.8 Ų | 69.8 | 39% | 0.394 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -87.3 | -40.3 | -173.9 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | P2168 L2171 G2194 | P2168-V2198 HydrophobicContact CB-CG1 3.61Å; P2168-V2198 HydrophobicContact CG-CG1 4.32Å; L2171-V2198 HydrophobicContact CB-CG2 4.48Å; L2171-V2198 HydrophobicContact CD1-CG2 4.07Å; L2171-V2198 HydrophobicContact CD2-CB 4.46Å; L2171-V2198 HydrophobicContact CD2-CG2 4.16Å; G2194-V2198 VanDerWaalsContact O-CB 3.26Å; G2194-V2198 WeakPolarHBondContact O-CB 3.32Å; G2194-V2198 VanDerWaalsContact O-CG2 3.29Å; G2194-V2198 WeakPolarHBondContact O-CG2 3.33Å; G2194-V2198 PolarHBondContact O-N 3.07Å |
| 2199 | F | 77.2 | Confident | 68.9 | Low | 28.5 Ų | 28.5 | 77.3 Ų | 77.3 | 13% | 0.125 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -105.8 | -7.8 | -174.6 | -57.2 | -75 | 0 | 0 | 0 | 113.6 | P2168 L2171 I2195 C2201 N2202 I2203 S2225 A2226 A2229 | P2168-F2199 HydrophobicContact CB-CE1 3.79Å; P2168-F2199 HydrophobicContact CB-CZ 3.93Å; L2171-F2199 HydrophobicContact CD2-CE2 4.38Å; I2195-F2199 HydrophobicContact CG1-CD2 4.43Å; I2195-F2199 HydrophobicContact CG2-CD2 4.41Å; I2195-F2199 WeakPolarHBondContact O-CA 3.38Å; I2195-F2199 WeakPolarHBondContact O-CB 3.41Å; I2195-F2199 PolarHBondContact O-N 3.25Å; F2199-C2201 VanDerWaalsContact C-N 3.33Å; F2199-C2201 PolarHBondContact O-N 3.35Å; F2199-N2202 PolarHBondContact O-N 2.79Å; F2199-I2203 HydrophobicContact CB-CD1 4.1Å; F2199-I2203 HydrophobicContact CB-CG1 4.28Å; F2199-I2203 WeakPolarHBondContact O-CG1 3.18Å; F2199-I2203 PolarHBondContact O-N 2.88Å; F2199-S2225 WeakPolarHBondContact CE1-OG 3.17Å; F2199-S2225 WeakPolarHBondContact CZ-OG 3.35Å; F2199-A2226 HydrophobicContact CB-CB 4.33Å; F2199-A2226 HydrophobicContact CD1-CB 3.72Å; F2199-A2226 HydrophobicContact CD2-CB 4.44Å; F2199-A2226 HydrophobicContact CE1-CB 4.04Å; F2199-A2226 HydrophobicContact CG-CB 3.99Å; F2199-A2226 HydrophobicContact CZ-CB 4.42Å; F2199-A2229 HydrophobicContact CD2-CB 4.24Å; F2199-A2229 HydrophobicContact CE2-CB 3.92Å; F2199-A2229 HydrophobicContact CZ-CB 4.4Å |
| 2200 | G | 67.9 | Low | 66.4 | Low | 26 Ų | 26 | 79.8 Ų | 79.8 | 27% | 0.268 | 42% | 0.419 | S | S | . | . | trans | 67.9 | 170.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I2195 P2196 N2202 I2203 F2204 | I2195-G2200 PolarHBondContact O-N 3.2Å; P2196-G2200 CarbonylContact O-C 3.5Å; P2196-G2200 WeakPolarHBondContact O-CA 3.32Å; P2196-G2200 PolarHBondContact O-N 3.11Å; G2200-N2202 VanDerWaalsContact C-N 3.33Å; G2200-N2202 PolarHBondContact O-N 3.41Å; G2200-I2203 WeakPolarHBondContact O-CG1 3.32Å; G2200-I2203 PolarHBondContact O-N 2.82Å; G2200-F2204 VanDerWaalsContact O-CD2 3.23Å; G2200-F2204 WeakPolarHBondContact O-CD2 3.38Å; G2200-F2204 PolarHBondContact O-N 2.93Å | ||
| 2201 | C | 56.4 | Low | 63.9 | Low | 109.333 Ų | 109.333 | 83.9 Ų | 83.9 | 74% | 0.739 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -23.8 | 178.8 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | F2199 I2203 F2204 N2205 | F2199-C2201 VanDerWaalsContact C-N 3.33Å; F2199-C2201 PolarHBondContact O-N 3.35Å; C2201-I2203 PolarHBondContact O-N 3.26Å; C2201-F2204 PolarHBondContact O-N 2.89Å; C2201-N2205 VanDerWaalsContact O-CB 3.27Å; C2201-N2205 WeakPolarHBondContact O-CB 3.46Å; C2201-N2205 PolarHBondContact O-N 2.76Å; C2201-N2205 PolarHBondContact O-ND2 2.74Å |
| 2202 | N | 55.8 | Low | 61.4 | Low | 88.6667 Ų | 88.6667 | 91.1 Ų | 91.1 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 14.3 | -176.9 | -77.6 | -16.6 | 0 | 0 | 0 | 112.8 | F2199 G2200 F2204 N2205 V2206 | F2199-N2202 PolarHBondContact O-N 2.79Å; G2200-N2202 VanDerWaalsContact C-N 3.33Å; G2200-N2202 PolarHBondContact O-N 3.41Å; N2202-F2204 VanDerWaalsContact C-N 3.31Å; N2202-F2204 PolarHBondContact O-N 3.05Å; N2202-F2204 VanDerWaalsContact O-N 3.1Å; N2202-N2205 HydrophobicContact CB-CB 4.39Å; N2202-N2205 PolarHBondContact O-N 3.23Å; N2202-N2205 VanDerWaalsContact O-N 3.13Å; N2202-V2206 WeakPolarHBondContact O-CG2 3.4Å; N2202-V2206 PolarHBondContact O-N 2.9Å |
| 2203 | I | 58.5 | Low | 59.1 | Low | 28.6667 Ų | 28.6667 | 97 Ų | 97 | 15% | 0.147 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -55.5 | -37.8 | 177.8 | -60.8 | 174.2 | 0 | 0 | 0 | 110.7 | I2195 F2199 G2200 C2201 N2205 R2207 A2226 L2230 F2258 | I2195-I2203 HydrophobicContact CG2-CD1 3.47Å; I2195-I2203 VanDerWaalsContact CG2-CD1 3.49Å; F2199-I2203 HydrophobicContact CB-CD1 4.1Å; F2199-I2203 HydrophobicContact CB-CG1 4.28Å; F2199-I2203 WeakPolarHBondContact O-CG1 3.18Å; F2199-I2203 PolarHBondContact O-N 2.88Å; G2200-I2203 WeakPolarHBondContact O-CG1 3.32Å; G2200-I2203 PolarHBondContact O-N 2.82Å; C2201-I2203 PolarHBondContact O-N 3.26Å; I2203-N2205 PolarHBondContact O-N 3.4Å; I2203-R2207 PolarHBondContact O-N 2.67Å; I2203-A2226 HydrophobicContact CG2-CB 4.21Å; I2203-L2230 HydrophobicContact CD1-CD2 4.47Å; I2203-L2230 HydrophobicContact CG2-CD1 4.14Å; I2203-F2258 HydrophobicContact CB-CE2 4.4Å; I2203-F2258 HydrophobicContact CG1-CE2 4.28Å; I2203-F2258 HydrophobicContact CG1-CZ 4.49Å; I2203-F2258 HydrophobicContact CG2-CD2 3.75Å; I2203-F2258 HydrophobicContact CG2-CE2 3.39Å; I2203-F2258 HydrophobicContact CG2-CZ 3.81Å; I2203-F2258 VanDerWaalsContact O-CE2 3.31Å; I2203-F2258 WeakPolarHBondContact O-CE2 3.39Å |
| 2204 | F | 55.6 | Low | 56.7 | Low | 127 Ų | 127 | 97.6 Ų | 97.6 | 56% | 0.557 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -75 | -21.7 | 179.3 | -70.6 | -76.7 | 0 | 0 | 0 | 114.9 | G2200 C2201 N2202 R2207 N2208 Q2254 F2258 | G2200-F2204 VanDerWaalsContact O-CD2 3.23Å; G2200-F2204 WeakPolarHBondContact O-CD2 3.38Å; G2200-F2204 PolarHBondContact O-N 2.93Å; C2201-F2204 PolarHBondContact O-N 2.89Å; N2202-F2204 VanDerWaalsContact C-N 3.31Å; N2202-F2204 PolarHBondContact O-N 3.05Å; N2202-F2204 VanDerWaalsContact O-N 3.1Å; F2204-R2207 WeakPolarHBondContact O-CB 3.47Å; F2204-R2207 PolarHBondContact O-N 3.17Å; F2204-N2208 PolarHBondContact O-N 3.14Å; F2204-Q2254 HydrophobicContact CE1-CB 4.42Å; F2204-Q2254 HydrophobicContact CZ-CB 4.15Å; F2204-F2258 AromaticContact CD1-CD2 3.85Å; F2204-F2258 HydrophobicContact CD1-CD2 3.85Å; F2204-F2258 HydrophobicContact CE1-CB 4.4Å; F2204-F2258 AromaticContact CE1-CD2 3.96Å; F2204-F2258 HydrophobicContact CE1-CD2 3.96Å |
| 2205 | N | 51 | Low | 54.5 | Low | 92.3333 Ų | 92.3333 | 102.6 Ų | 102.6 | 49% | 0.494 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -89.5 | -12.6 | -175.7 | -81.1 | -17.4 | 0 | 0 | 0 | 114.3 | C2201 N2202 I2203 R2207 N2208 K2209 | C2201-N2205 VanDerWaalsContact O-CB 3.27Å; C2201-N2205 WeakPolarHBondContact O-CB 3.46Å; C2201-N2205 PolarHBondContact O-N 2.76Å; C2201-N2205 PolarHBondContact O-ND2 2.74Å; N2202-N2205 HydrophobicContact CB-CB 4.39Å; N2202-N2205 PolarHBondContact O-N 3.23Å; N2202-N2205 VanDerWaalsContact O-N 3.13Å; I2203-N2205 PolarHBondContact O-N 3.4Å; N2205-R2207 VanDerWaalsContact C-N 3.26Å; N2205-R2207 PolarHBondContact O-N 3.21Å; N2205-R2207 VanDerWaalsContact O-N 3.15Å; N2205-N2208 PolarHBondContact O-N 3.25Å; N2205-N2208 VanDerWaalsContact O-N 3.16Å; N2205-K2209 PolarHBondContact O-N 2.61Å; N2205-K2209 VanDerWaalsContact O-N 3.15Å |
| 2206 | V | 51.5 | Low | 52.3 | Low | 80 Ų | 80 | 108.9 Ų | 108.9 | 49% | 0.485 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -64.6 | -25.7 | -178.3 | 177.7 | 0 | 0 | 0 | 0 | 112.2 | N2202 N2208 T2223 F2258 | N2202-V2206 WeakPolarHBondContact O-CG2 3.4Å; N2202-V2206 PolarHBondContact O-N 2.9Å; V2206-N2208 VanDerWaalsContact C-N 3.3Å; V2206-N2208 PolarHBondContact O-N 3.17Å; V2206-T2223 HydrophobicContact CG2-CG2 4.31Å; V2206-F2258 HydrophobicContact CB-CD2 4.49Å; V2206-F2258 HydrophobicContact CB-CE2 3.84Å; V2206-F2258 HydrophobicContact CB-CZ 4.27Å; V2206-F2258 HydrophobicContact CG1-CD2 4.17Å; V2206-F2258 HydrophobicContact CG1-CE2 4Å; V2206-F2258 HydrophobicContact CG2-CE2 4.02Å; V2206-F2258 HydrophobicContact CG2-CZ 3.91Å |
| 2207 | R | 45.8 | Very low | 50.4 | Low | 211 Ų | 211 | 111 Ų | 111 | 80% | 0.796 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -73.1 | -16.6 | 178.4 | -132.5 | 177.3 | -172.7 | 174.6 | 2.2 | 114.6 | I2203 F2204 N2205 | I2203-R2207 PolarHBondContact O-N 2.67Å; F2204-R2207 WeakPolarHBondContact O-CB 3.47Å; F2204-R2207 PolarHBondContact O-N 3.17Å; N2205-R2207 VanDerWaalsContact C-N 3.26Å; N2205-R2207 PolarHBondContact O-N 3.21Å; N2205-R2207 VanDerWaalsContact O-N 3.15Å |
| 2208 | N | 43.6 | Very low | 48.7 | Very low | 132.667 Ų | 132.667 | 107.8 Ų | 107.8 | 71% | 0.709 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -105.3 | 6.8 | -171.7 | -76.1 | -7.1 | 0 | 0 | 0 | 115.1 | F2204 N2205 V2206 P2210 | F2204-N2208 PolarHBondContact O-N 3.14Å; N2205-N2208 PolarHBondContact O-N 3.25Å; N2205-N2208 VanDerWaalsContact O-N 3.16Å; V2206-N2208 VanDerWaalsContact C-N 3.3Å; V2206-N2208 PolarHBondContact O-N 3.17Å; N2208-P2210 WeakPolarHBondContact O-CD 3.31Å |
| 2209 | K | 37.6 | Very low | 47.5 | Very low | 168 Ų | 168 | 108.1 Ų | 108.1 | 73% | 0.73 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -94.1 | 126.8 | 172.7 | -83.3 | -172.8 | 175 | -175.8 | 0 | 111 | N2205 S2211 | N2205-K2209 PolarHBondContact O-N 2.61Å; N2205-K2209 VanDerWaalsContact O-N 3.15Å; K2209-S2211 PolarHBondContact O-N 2.86Å |
| 2210 | P | 36 | Very low | 46.6 | Very low | 117 Ų | 117 | 112.6 Ų | 112.6 | 76% | 0.76 | 60% | 0.601 | S | S | * | * | trans | -66.7 | 140.7 | 173.9 | 25.5 | -26.4 | 0 | 0 | 0 | 109.9 | N2208 N2212 | N2208-P2210 WeakPolarHBondContact O-CD 3.31Å; P2210-N2212 VanDerWaalsContact C-N 3.25Å; P2210-N2212 PolarHBondContact O-N 3.12Å; P2210-N2212 VanDerWaalsContact O-N 3.09Å | ||
| 2211 | S | 36.8 | Very low | 46.3 | Very low | 102.667 Ų | 102.667 | 118.8 Ų | 118.8 | 72% | 0.718 | 62% | 0.617 | S | S | * | * | trans | -56.5 | 78.2 | -175.4 | 48.3 | 0 | 0 | 0 | 0 | 114 | K2209 | K2209-S2211 PolarHBondContact O-N 2.86Š| ||
| 2212 | N | 35.6 | Very low | 46.8 | Very low | 150 Ų | 150 | 121.3 Ų | 121.3 | 80% | 0.802 | 61% | 0.611 | S | S | * | * | trans | -106.6 | 106.9 | 163.6 | -86.4 | -9.6 | 0 | 0 | 0 | 108.4 | P2210 N2214 | P2210-N2212 VanDerWaalsContact C-N 3.25Å; P2210-N2212 PolarHBondContact O-N 3.12Å; P2210-N2212 VanDerWaalsContact O-N 3.09Å; N2212-N2214 VanDerWaalsContact C-N 3.26Å; N2212-N2214 PolarHBondContact O-N 2.81Å | ||
| 2213 | E | 37.5 | Very low | 47.4 | Very low | 161 Ų | 161 | 119 Ų | 119 | 75% | 0.752 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 95.6 | 179.1 | -80.2 | 174.6 | 170.6 | 0 | 0 | 113 | N2215 | E2213-N2215 PolarHBondContact O-N 2.66Š|
| 2214 | N | 37.5 | Very low | 48.2 | Very low | 159 Ų | 159 | 120.3 Ų | 120.3 | 85% | 0.85 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 29.6 | 179 | -63.7 | -24.6 | 0 | 0 | 0 | 115.1 | N2212 | N2212-N2214 VanDerWaalsContact C-N 3.26Å; N2212-N2214 PolarHBondContact O-N 2.81Å |
| 2215 | N | 35.4 | Very low | 49 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 60% | 0.604 | 58% | 0.583 | S | S | * | * | trans | -124.1 | 39.8 | 177.5 | -86.5 | -24.9 | 0 | 0 | 0 | 114.4 | E2213 V2217 S2218 T2219 | E2213-N2215 PolarHBondContact O-N 2.66Å; N2215-V2217 PolarHBondContact O-N 3.17Å; N2215-S2218 PolarHBondContact O-N 2.86Å; N2215-S2218 PolarHBondContact O-OG 3.2Å; N2215-S2218 VanDerWaalsContact O-OG 3.06Å; N2215-T2219 PolarHBondContact O-OG1 3.14Å; N2215-T2219 VanDerWaalsContact O-OG1 3.1Å | ||
| 2216 | E | 38.9 | Very low | 50.4 | Low | 137.333 Ų | 137.333 | 110.3 Ų | 110.3 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -29.7 | -25.8 | 178.4 | -65 | -174 | 160.6 | 0 | 0 | 116.6 | S2218 T2219 E2220 | E2216-S2218 VanDerWaalsContact C-N 3.34Å; E2216-S2218 PolarHBondContact O-N 3.15Å; E2216-T2219 VanDerWaalsContact C-OG1 3.3Å; E2216-T2219 WeakPolarHBondContact CA-OG1 3.24Å; E2216-T2219 PolarHBondContact O-N 3.16Å; E2216-T2219 PolarHBondContact O-OG1 3.17Å; E2216-E2220 PolarHBondContact O-N 3.26Å; E2216-E2220 VanDerWaalsContact O-N 3.13Å |
| 2217 | V | 41.9 | Very low | 51.7 | Low | 101.333 Ų | 101.333 | 106.6 Ų | 106.6 | 61% | 0.614 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -56.9 | -36.7 | -179 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | N2215 T2219 E2220 Y2221 | N2215-V2217 PolarHBondContact O-N 3.17Å; V2217-T2219 VanDerWaalsContact C-N 3.32Å; V2217-T2219 PolarHBondContact O-N 3.1Å; V2217-E2220 WeakPolarHBondContact O-CB 3.33Å; V2217-E2220 PolarHBondContact O-N 3.28Å; V2217-Y2221 HydrophobicContact CG1-CD2 4.21Å; V2217-Y2221 HydrophobicContact CG1-CE2 3.91Å; V2217-Y2221 VanDerWaalsContact O-CD2 3.26Å; V2217-Y2221 WeakPolarHBondContact O-CD2 3.44Å; V2217-Y2221 PolarHBondContact O-N 3.2Å |
| 2218 | S | 45.1 | Very low | 53.4 | Low | 65.3333 Ų | 65.3333 | 99.6 Ų | 99.6 | 46% | 0.457 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -31.1 | -179.3 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | N2215 E2216 R2222 | N2215-S2218 PolarHBondContact O-N 2.86Å; N2215-S2218 PolarHBondContact O-OG 3.2Å; N2215-S2218 VanDerWaalsContact O-OG 3.06Å; E2216-S2218 VanDerWaalsContact C-N 3.34Å; E2216-S2218 PolarHBondContact O-N 3.15Å; S2218-R2222 PolarHBondContact O-N 2.74Å |
| 2219 | T | 52.4 | Low | 55.3 | Low | 72 Ų | 72 | 93.3 Ų | 93.3 | 44% | 0.442 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.4 | -35.1 | 177.5 | 40.7 | 0 | 0 | 0 | 0 | 112.1 | N2215 E2216 V2217 R2222 T2223 | N2215-T2219 PolarHBondContact O-OG1 3.14Å; N2215-T2219 VanDerWaalsContact O-OG1 3.1Å; E2216-T2219 VanDerWaalsContact C-OG1 3.3Å; E2216-T2219 WeakPolarHBondContact CA-OG1 3.24Å; E2216-T2219 PolarHBondContact O-N 3.16Å; E2216-T2219 PolarHBondContact O-OG1 3.17Å; V2217-T2219 VanDerWaalsContact C-N 3.32Å; V2217-T2219 PolarHBondContact O-N 3.1Å; T2219-R2222 PolarHBondContact O-N 3.2Å; T2219-T2223 WeakPolarHBondContact O-CB 3.49Å; T2219-T2223 WeakPolarHBondContact O-CG2 3.38Å; T2219-T2223 PolarHBondContact O-N 3.02Å; T2219-T2223 PolarHBondContact O-OG1 3.17Å |
| 2220 | E | 57.5 | Low | 57.6 | Low | 122.667 Ų | 122.667 | 86.3 Ų | 86.3 | 57% | 0.573 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.8 | -46.2 | 179.8 | -165.7 | 175.4 | -171.6 | 0 | 0 | 111.8 | E2216 V2217 R2222 T2223 I2224 | E2216-E2220 PolarHBondContact O-N 3.26Å; E2216-E2220 VanDerWaalsContact O-N 3.13Å; V2217-E2220 WeakPolarHBondContact O-CB 3.33Å; V2217-E2220 PolarHBondContact O-N 3.28Å; E2220-R2222 VanDerWaalsContact C-N 3.34Å; E2220-R2222 PolarHBondContact O-N 3.05Å; E2220-T2223 WeakPolarHBondContact CA-OG1 3.35Å; E2220-T2223 WeakPolarHBondContact O-CB 3.45Å; E2220-T2223 PolarHBondContact O-N 3.22Å; E2220-T2223 VanDerWaalsContact O-N 3.1Å; E2220-T2223 PolarHBondContact O-OG1 2.78Å; E2220-I2224 HydrophobicContact CG-CD1 4.18Å; E2220-I2224 VanDerWaalsContact O-CG1 3.27Å; E2220-I2224 WeakPolarHBondContact O-CG1 3.32Å; E2220-I2224 PolarHBondContact O-N 3.44Å |
| 2221 | Y | 61.4 | Low | 60 | Low | 156.333 Ų | 156.333 | 81 Ų | 81 | 61% | 0.613 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.6 | -41.6 | 176.1 | -81.3 | -77.5 | 0 | 0 | 0 | 112.9 | V2217 T2223 I2224 S2225 | V2217-Y2221 HydrophobicContact CG1-CD2 4.21Å; V2217-Y2221 HydrophobicContact CG1-CE2 3.91Å; V2217-Y2221 VanDerWaalsContact O-CD2 3.26Å; V2217-Y2221 WeakPolarHBondContact O-CD2 3.44Å; V2217-Y2221 PolarHBondContact O-N 3.2Å; Y2221-T2223 VanDerWaalsContact C-N 3.33Å; Y2221-T2223 PolarHBondContact O-N 3.23Å; Y2221-I2224 PolarHBondContact O-N 3.1Å; Y2221-S2225 WeakPolarHBondContact O-CB 3.36Å; Y2221-S2225 PolarHBondContact O-N 3.04Å; Y2221-S2225 PolarHBondContact O-OG 2.87Å |
| 2222 | R | 66.7 | Low | 62.4 | Low | 160.667 Ų | 160.667 | 76.9 Ų | 76.9 | 61% | 0.606 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.4 | -37.2 | 177.1 | -74.9 | -171.9 | -174.8 | -167 | 1.5 | 112.2 | S2218 T2219 E2220 S2225 A2226 | S2218-R2222 PolarHBondContact O-N 2.74Å; T2219-R2222 PolarHBondContact O-N 3.2Å; E2220-R2222 VanDerWaalsContact C-N 3.34Å; E2220-R2222 PolarHBondContact O-N 3.05Å; R2222-S2225 PolarHBondContact O-N 3.35Å; R2222-A2226 VanDerWaalsContact O-CB 3.29Å; R2222-A2226 WeakPolarHBondContact O-CB 3.26Å; R2222-A2226 PolarHBondContact O-N 3.23Å |
| 2223 | T | 69.6 | Low | 64.8 | Low | 40.3333 Ų | 40.3333 | 72.6 Ų | 72.6 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 177.2 | 25.8 | 0 | 0 | 0 | 0 | 111.4 | V2206 T2219 E2220 Y2221 S2225 A2226 Q2227 F2258 | V2206-T2223 HydrophobicContact CG2-CG2 4.31Å; T2219-T2223 WeakPolarHBondContact O-CB 3.49Å; T2219-T2223 WeakPolarHBondContact O-CG2 3.38Å; T2219-T2223 PolarHBondContact O-N 3.02Å; T2219-T2223 PolarHBondContact O-OG1 3.17Å; E2220-T2223 WeakPolarHBondContact CA-OG1 3.35Å; E2220-T2223 WeakPolarHBondContact O-CB 3.45Å; E2220-T2223 PolarHBondContact O-N 3.22Å; E2220-T2223 VanDerWaalsContact O-N 3.1Å; E2220-T2223 PolarHBondContact O-OG1 2.78Å; Y2221-T2223 VanDerWaalsContact C-N 3.33Å; Y2221-T2223 PolarHBondContact O-N 3.23Å; T2223-S2225 VanDerWaalsContact C-N 3.34Å; T2223-S2225 PolarHBondContact O-N 2.84Å; T2223-A2226 PolarHBondContact O-N 3.26Å; T2223-Q2227 WeakPolarHBondContact O-CB 3.49Å; T2223-Q2227 PolarHBondContact O-N 2.91Å; T2223-F2258 HydrophobicContact CG2-CE1 3.83Å; T2223-F2258 HydrophobicContact CG2-CZ 4.05Å; T2223-F2258 WeakPolarHBondContact O-CE1 3.31Å |
| 2224 | I | 73.9 | Confident | 67.2 | Low | 56.6667 Ų | 56.6667 | 65 Ų | 65 | 29% | 0.291 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.6 | -65.1 | 165.4 | 0 | 0 | 0 | 110.6 | E2220 Y2221 A2226 Q2227 Q2228 | E2220-I2224 HydrophobicContact CG-CD1 4.18Å; E2220-I2224 VanDerWaalsContact O-CG1 3.27Å; E2220-I2224 WeakPolarHBondContact O-CG1 3.32Å; E2220-I2224 PolarHBondContact O-N 3.44Å; Y2221-I2224 PolarHBondContact O-N 3.1Å; I2224-A2226 PolarHBondContact O-N 3.1Å; I2224-Q2227 WeakPolarHBondContact O-CB 3.49Å; I2224-Q2227 PolarHBondContact O-N 3.34Å; I2224-Q2228 WeakPolarHBondContact O-CG 3.46Å; I2224-Q2228 PolarHBondContact O-N 3.24Å |
| 2225 | S | 74 | Confident | 69.5 | Low | 7 Ų | 7 | 61 Ų | 61 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | 178.4 | -152 | 0 | 0 | 0 | 0 | 112.2 | D2169 F2199 Y2221 R2222 T2223 Q2227 Q2228 A2229 | D2169-S2225 VanDerWaalsContact OD1-CB 3.24Å; D2169-S2225 WeakPolarHBondContact OD1-CB 3.37Å; D2169-S2225 PolarHBondContact OD1-OG 3.22Å; D2169-S2225 VanDerWaalsContact OD1-OG 3.05Å; F2199-S2225 WeakPolarHBondContact CE1-OG 3.17Å; F2199-S2225 WeakPolarHBondContact CZ-OG 3.35Å; Y2221-S2225 WeakPolarHBondContact O-CB 3.36Å; Y2221-S2225 PolarHBondContact O-N 3.04Å; Y2221-S2225 PolarHBondContact O-OG 2.87Å; R2222-S2225 PolarHBondContact O-N 3.35Å; T2223-S2225 VanDerWaalsContact C-N 3.34Å; T2223-S2225 PolarHBondContact O-N 2.84Å; S2225-Q2227 VanDerWaalsContact C-N 3.33Å; S2225-Q2227 PolarHBondContact O-N 3.22Å; S2225-Q2228 WeakPolarHBondContact O-CB 3.35Å; S2225-Q2228 PolarHBondContact O-N 3.08Å; S2225-A2229 PolarHBondContact O-N 3.22Å |
| 2226 | A | 78.7 | Confident | 72 | Confident | 3.33333 Ų | 3.33333 | 56 Ų | 56 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F2199 I2203 R2222 T2223 I2224 Q2228 A2229 L2230 F2258 | F2199-A2226 HydrophobicContact CB-CB 4.33Å; F2199-A2226 HydrophobicContact CD1-CB 3.72Å; F2199-A2226 HydrophobicContact CD2-CB 4.44Å; F2199-A2226 HydrophobicContact CE1-CB 4.04Å; F2199-A2226 HydrophobicContact CG-CB 3.99Å; F2199-A2226 HydrophobicContact CZ-CB 4.42Å; I2203-A2226 HydrophobicContact CG2-CB 4.21Å; R2222-A2226 VanDerWaalsContact O-CB 3.29Å; R2222-A2226 WeakPolarHBondContact O-CB 3.26Å; R2222-A2226 PolarHBondContact O-N 3.23Å; T2223-A2226 PolarHBondContact O-N 3.26Å; I2224-A2226 PolarHBondContact O-N 3.1Å; A2226-Q2228 PolarHBondContact O-N 2.98Å; A2226-A2229 WeakPolarHBondContact O-CB 3.46Å; A2226-A2229 PolarHBondContact O-N 3.06Å; A2226-L2230 WeakPolarHBondContact O-CG 3.28Å; A2226-L2230 PolarHBondContact O-N 3.15Å; A2226-F2258 HydrophobicContact CB-CE1 4.27Å; A2226-F2258 HydrophobicContact CB-CZ 4.31Å |
| 2227 | Q | 79 | Confident | 74.2 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 175.9 | -169.5 | 178.5 | 21.8 | 0 | 0 | 111.8 | T2223 I2224 S2225 A2229 L2230 L2231 V2255 F2258 N2259 Y2262 | T2223-Q2227 WeakPolarHBondContact O-CB 3.49Å; T2223-Q2227 PolarHBondContact O-N 2.91Å; I2224-Q2227 WeakPolarHBondContact O-CB 3.49Å; I2224-Q2227 PolarHBondContact O-N 3.34Å; S2225-Q2227 VanDerWaalsContact C-N 3.33Å; S2225-Q2227 PolarHBondContact O-N 3.22Å; Q2227-A2229 VanDerWaalsContact C-N 3.27Å; Q2227-A2229 PolarHBondContact O-N 3.26Å; Q2227-L2230 PolarHBondContact O-N 3.15Å; Q2227-L2231 WeakPolarHBondContact O-CB 3.36Å; Q2227-L2231 PolarHBondContact O-N 3.08Å; Q2227-V2255 HydrophobicContact CG-CG1 4.07Å; Q2227-V2255 PolarHBondContact NE2-O 3.19Å; Q2227-V2255 VanDerWaalsContact NE2-O 3.14Å; Q2227-F2258 HydrophobicContact CB-CD1 3.88Å; Q2227-F2258 HydrophobicContact CB-CE1 4.11Å; Q2227-F2258 HydrophobicContact CG-CD1 4.22Å; Q2227-N2259 PolarHBondContact NE2-O 2.94Å; Q2227-N2259 VanDerWaalsContact OE1-CB 3.31Å; Q2227-N2259 PolarHBondContact OE1-ND2 3.13Å; Q2227-N2259 VanDerWaalsContact OE1-ND2 3.15Å; Q2227-Y2262 HydrophobicContact CG-CD1 4.4Å; Q2227-Y2262 VanDerWaalsContact NE2-CB 3.3Å |
| 2228 | Q | 82.4 | Confident | 76.2 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -36.7 | 175 | -71.7 | 178.8 | 6.9 | 0 | 0 | 111.7 | L2172 I2224 S2225 A2226 L2231 L2232 | L2172-Q2228 HydrophobicContact CD1-CB 4.18Å; I2224-Q2228 WeakPolarHBondContact O-CG 3.46Å; I2224-Q2228 PolarHBondContact O-N 3.24Å; S2225-Q2228 WeakPolarHBondContact O-CB 3.35Å; S2225-Q2228 PolarHBondContact O-N 3.08Å; A2226-Q2228 PolarHBondContact O-N 2.98Å; Q2228-L2231 PolarHBondContact O-N 3.29Å; Q2228-L2232 VanDerWaalsContact O-CB 3.26Å; Q2228-L2232 WeakPolarHBondContact O-CB 3.33Å; Q2228-L2232 PolarHBondContact O-N 3.2Å |
| 2229 | A | 83.9 | Confident | 78 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.2 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2172 I2195 F2199 S2225 A2226 Q2227 L2231 L2232 R2233 | L2172-A2229 HydrophobicContact CD2-CB 3.44Å; L2172-A2229 VanDerWaalsContact CD2-CB 3.44Å; L2172-A2229 HydrophobicContact CG-CB 4.36Å; I2195-A2229 HydrophobicContact CD1-CB 4Å; I2195-A2229 HydrophobicContact CG1-CB 3.95Å; F2199-A2229 HydrophobicContact CD2-CB 4.24Å; F2199-A2229 HydrophobicContact CE2-CB 3.92Å; F2199-A2229 HydrophobicContact CZ-CB 4.4Å; S2225-A2229 PolarHBondContact O-N 3.22Å; A2226-A2229 WeakPolarHBondContact O-CB 3.46Å; A2226-A2229 PolarHBondContact O-N 3.06Å; Q2227-A2229 VanDerWaalsContact C-N 3.27Å; Q2227-A2229 PolarHBondContact O-N 3.26Å; A2229-L2231 VanDerWaalsContact C-N 3.32Å; A2229-L2231 PolarHBondContact O-N 2.79Å; A2229-L2232 PolarHBondContact O-N 3.1Å; A2229-R2233 WeakPolarHBondContact O-CB 3.38Å; A2229-R2233 PolarHBondContact O-N 3.03Å |
| 2230 | L | 85.7 | Confident | 79.5 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.2 | -69.4 | 171 | 0 | 0 | 0 | 111.2 | I2195 I2203 A2226 Q2227 L2232 R2233 T2234 V2255 F2258 | I2195-L2230 HydrophobicContact CD1-CD2 4.43Å; I2195-L2230 HydrophobicContact CG2-CD2 4.25Å; I2203-L2230 HydrophobicContact CD1-CD2 4.47Å; I2203-L2230 HydrophobicContact CG2-CD1 4.14Å; A2226-L2230 WeakPolarHBondContact O-CG 3.28Å; A2226-L2230 PolarHBondContact O-N 3.15Å; Q2227-L2230 PolarHBondContact O-N 3.15Å; L2230-L2232 VanDerWaalsContact C-N 3.34Å; L2230-L2232 PolarHBondContact O-N 2.9Å; L2230-R2233 WeakPolarHBondContact O-CB 3.43Å; L2230-R2233 PolarHBondContact O-N 3.32Å; L2230-T2234 VanDerWaalsContact O-CG2 3.28Å; L2230-T2234 WeakPolarHBondContact O-CG2 3.43Å; L2230-T2234 PolarHBondContact O-N 3.13Å; L2230-T2234 PolarHBondContact O-OG1 3.19Å; L2230-V2255 HydrophobicContact CB-CG2 3.86Å; L2230-F2258 HydrophobicContact CD1-CD1 4.49Å; L2230-F2258 HydrophobicContact CD1-CD2 4.48Å; L2230-F2258 HydrophobicContact CD1-CG 4.43Å |
| 2231 | L | 86.3 | Confident | 80.7 | Confident | 6.66667 Ų | 6.66667 | 44.9 Ų | 44.9 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 176.9 | -175.8 | 62.3 | 0 | 0 | 0 | 112.1 | Q2227 Q2228 A2229 R2233 T2234 R2235 Y2252 V2255 Y2262 E2264 A2265 | Q2227-L2231 WeakPolarHBondContact O-CB 3.36Å; Q2227-L2231 PolarHBondContact O-N 3.08Å; Q2228-L2231 PolarHBondContact O-N 3.29Å; A2229-L2231 VanDerWaalsContact C-N 3.32Å; A2229-L2231 PolarHBondContact O-N 2.79Å; L2231-R2233 VanDerWaalsContact C-N 3.31Å; L2231-R2233 PolarHBondContact O-N 3.25Å; L2231-T2234 VanDerWaalsContact C-OG1 3.3Å; L2231-T2234 VanDerWaalsContact CA-OG1 3.26Å; L2231-T2234 WeakPolarHBondContact CA-OG1 3.32Å; L2231-T2234 PolarHBondContact O-N 3.24Å; L2231-T2234 PolarHBondContact O-OG1 3.09Å; L2231-R2235 VanDerWaalsContact O-CB 3.3Å; L2231-R2235 WeakPolarHBondContact O-CB 3.34Å; L2231-R2235 PolarHBondContact O-N 3.08Å; L2231-Y2252 HydrophobicContact CD1-CD1 4.24Å; L2231-Y2252 HydrophobicContact CD1-CE1 3.83Å; L2231-V2255 HydrophobicContact CB-CG1 3.97Å; L2231-V2255 HydrophobicContact CD1-CG1 4.24Å; L2231-Y2262 HydrophobicContact CD2-CD1 4.15Å; L2231-Y2262 HydrophobicContact CD2-CE1 3.5Å; L2231-E2264 HydrophobicContact CD2-CB 4.15Å; L2231-E2264 HydrophobicContact CD2-CG 3.87Å; L2231-A2265 HydrophobicContact CD1-CB 4.15Å; L2231-A2265 HydrophobicContact CD2-CB 4.44Å |
| 2232 | L | 86.5 | Confident | 81.3 | Confident | 15.6667 Ų | 15.6667 | 42.8 Ų | 42.8 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 178.6 | -171.4 | 65.7 | 0 | 0 | 0 | 111.2 | L2172 A2175 K2176 L2191 Q2228 A2229 L2230 R2235 Y2236 | L2172-L2232 HydrophobicContact CD2-CD2 4.27Å; A2175-L2232 HydrophobicContact CB-CD2 4.13Å; K2176-L2232 HydrophobicContact CG-CD1 4.46Å; K2176-L2232 HydrophobicContact CG-CD2 3.87Å; L2191-L2232 HydrophobicContact CD1-CB 4.37Å; L2191-L2232 HydrophobicContact CD1-CD2 4.23Å; L2191-L2232 HydrophobicContact CD1-CG 4.09Å; L2191-L2232 HydrophobicContact CD2-CD2 4.44Å; Q2228-L2232 VanDerWaalsContact O-CB 3.26Å; Q2228-L2232 WeakPolarHBondContact O-CB 3.33Å; Q2228-L2232 PolarHBondContact O-N 3.2Å; A2229-L2232 PolarHBondContact O-N 3.1Å; L2230-L2232 VanDerWaalsContact C-N 3.34Å; L2230-L2232 PolarHBondContact O-N 2.9Å; L2232-R2235 WeakPolarHBondContact O-CB 3.39Å; L2232-R2235 PolarHBondContact O-N 2.88Å; L2232-Y2236 HydrophobicContact CD1-CD1 4.32Å; L2232-Y2236 HydrophobicContact CD1-CE1 3.63Å; L2232-Y2236 HydrophobicContact CD1-CE2 4.18Å; L2232-Y2236 VanDerWaalsContact CD1-CZ 3.49Å; L2232-Y2236 HydrophobicContact CD2-CE2 4.21Å; L2232-Y2236 HydrophobicContact CG-CD2 4.4Å; L2232-Y2236 HydrophobicContact CG-CE1 4.21Å; L2232-Y2236 HydrophobicContact CG-CE2 3.92Å; L2232-Y2236 WeakPolarHBondContact O-CB 3.38Å; L2232-Y2236 VanDerWaalsContact O-CG 3.31Å; L2232-Y2236 PolarHBondContact O-N 3.15Å |
| 2233 | R | 87 | Confident | 81.9 | Confident | 60 Ų | 60 | 39.2 Ų | 39.2 | 23% | 0.226 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -52.1 | 174.8 | 179.2 | -174.8 | 177.3 | -145.4 | 0.5 | 111 | L2191 D2192 I2195 A2229 L2230 L2231 R2235 Y2236 C2237 | L2191-R2233 HydrophobicContact CB-CB 4.26Å; L2191-R2233 HydrophobicContact CB-CG 4.4Å; L2191-R2233 HydrophobicContact CD1-CB 4.07Å; D2192-R2233 IonicContact OD1-CZ 3.47Å; D2192-R2233 VanDerWaalsContact OD1-CZ 3.26Å; D2192-R2233 IonicContact OD1-NE 3.48Å; D2192-R2233 PolarHBondContact OD1-NE 3.11Å; D2192-R2233 IonicContact OD1-NH2 3.1Å; D2192-R2233 PolarHBondContact OD1-NH2 3.12Å; I2195-R2233 HydrophobicContact CD1-CB 4.11Å; I2195-R2233 HydrophobicContact CD1-CG 4.46Å; A2229-R2233 WeakPolarHBondContact O-CB 3.38Å; A2229-R2233 PolarHBondContact O-N 3.03Å; L2230-R2233 WeakPolarHBondContact O-CB 3.43Å; L2230-R2233 PolarHBondContact O-N 3.32Å; L2231-R2233 VanDerWaalsContact C-N 3.31Å; L2231-R2233 PolarHBondContact O-N 3.25Å; R2233-R2235 VanDerWaalsContact C-N 3.3Å; R2233-R2235 PolarHBondContact O-N 3.13Å; R2233-Y2236 PolarHBondContact O-N 3.11Å; R2233-Y2236 VanDerWaalsContact O-N 3.15Å; R2233-C2237 PolarHBondContact O-N 3.11Å; R2233-C2237 PolarHBondContact O-SG 3.34Å |
| 2234 | T | 86 | Confident | 82.4 | Confident | 2.66667 Ų | 2.66667 | 41.6 Ų | 41.6 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 179.7 | -24.3 | 0 | 0 | 0 | 0 | 111.7 | L2230 L2231 Y2236 C2237 E2238 L2251 Y2252 V2255 | L2230-T2234 VanDerWaalsContact O-CG2 3.28Å; L2230-T2234 WeakPolarHBondContact O-CG2 3.43Å; L2230-T2234 PolarHBondContact O-N 3.13Å; L2230-T2234 PolarHBondContact O-OG1 3.19Å; L2231-T2234 VanDerWaalsContact C-OG1 3.3Å; L2231-T2234 VanDerWaalsContact CA-OG1 3.26Å; L2231-T2234 WeakPolarHBondContact CA-OG1 3.32Å; L2231-T2234 PolarHBondContact O-N 3.24Å; L2231-T2234 PolarHBondContact O-OG1 3.09Å; T2234-Y2236 PolarHBondContact O-N 3.15Å; T2234-C2237 WeakPolarHBondContact O-CB 3.18Å; T2234-C2237 PolarHBondContact O-N 3.17Å; T2234-E2238 PolarHBondContact O-N 3.32Å; T2234-L2251 HydrophobicContact CG2-CB 3.64Å; T2234-Y2252 HydrophobicContact CG2-CD1 3.63Å; T2234-Y2252 HydrophobicContact CG2-CD2 3.47Å; T2234-Y2252 VanDerWaalsContact CG2-CD2 3.43Å; T2234-Y2252 HydrophobicContact CG2-CE1 3.7Å; T2234-Y2252 HydrophobicContact CG2-CE2 3.58Å; T2234-Y2252 HydrophobicContact CG2-CG 3.5Å; T2234-Y2252 VanDerWaalsContact CG2-CG 3.48Å; T2234-V2255 HydrophobicContact CG2-CG2 3.78Å |
| 2235 | R | 86.9 | Confident | 82.6 | Confident | 74.6667 Ų | 74.6667 | 42.6 Ų | 42.6 | 28% | 0.282 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 174.8 | -178.8 | -171.7 | 172.7 | -176.6 | -5.8 | 112.2 | L2231 L2232 R2233 C2237 E2238 E2239 | L2231-R2235 VanDerWaalsContact O-CB 3.3Å; L2231-R2235 WeakPolarHBondContact O-CB 3.34Å; L2231-R2235 PolarHBondContact O-N 3.08Å; L2232-R2235 WeakPolarHBondContact O-CB 3.39Å; L2232-R2235 PolarHBondContact O-N 2.88Å; R2233-R2235 VanDerWaalsContact C-N 3.3Å; R2233-R2235 PolarHBondContact O-N 3.13Å; R2235-C2237 VanDerWaalsContact C-N 3.3Å; R2235-C2237 PolarHBondContact O-N 3.34Å; R2235-E2238 WeakPolarHBondContact O-CB 3.33Å; R2235-E2238 PolarHBondContact O-N 3.13Å; R2235-E2239 IonicContact CZ-OE1 3.07Å; R2235-E2239 VanDerWaalsContact CZ-OE1 3.31Å; R2235-E2239 IonicContact NE-OE1 3.53Å; R2235-E2239 PolarHBondContact NE-OE1 3.05Å; R2235-E2239 IonicContact NH2-OE1 3.15Å; R2235-E2239 PolarHBondContact NH2-OE1 3.21Å; R2235-E2239 IonicContact NH2-OE2 3.44Å; R2235-E2239 PolarHBondContact O-N 2.89Å |
| 2236 | Y | 87.1 | Confident | 82.9 | Confident | 6.66667 Ų | 6.66667 | 48.1 Ų | 48.1 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.4 | -36 | 179.5 | -71.4 | -4.5 | 0 | 0 | 0 | 111.5 | A2175 K2176 W2179 A2187 Q2188 L2191 L2232 R2233 T2234 E2239 T2240 | A2175-Y2236 HydrophobicContact CB-CE2 4.33Å; K2176-Y2236 WeakPolarHBondContact CA-OH 3.34Å; W2179-Y2236 HydrophobicContact CB-CE1 4.15Å; W2179-Y2236 HydrophobicContact CB-CE2 3.89Å; W2179-Y2236 VanDerWaalsContact CB-CZ 3.42Å; W2179-Y2236 VanDerWaalsContact CB-OH 3.26Å; W2179-Y2236 WeakPolarHBondContact CB-OH 3.34Å; W2179-Y2236 AromaticContact CD1-CE1 3.87Å; W2179-Y2236 AromaticContact CD2-CD1 3.57Å; W2179-Y2236 HydrophobicContact CD2-CD1 3.57Å; W2179-Y2236 VanDerWaalsContact CD2-CD1 3.47Å; W2179-Y2236 HydrophobicContact CD2-CD2 4.14Å; W2179-Y2236 AromaticContact CD2-CE1 3.35Å; W2179-Y2236 HydrophobicContact CD2-CE1 3.35Å; W2179-Y2236 VanDerWaalsContact CD2-CE1 3.46Å; W2179-Y2236 AromaticContact CD2-CE2 3.92Å; W2179-Y2236 HydrophobicContact CD2-CE2 3.95Å; W2179-Y2236 AromaticContact CD2-CG 3.9Å; W2179-Y2236 HydrophobicContact CD2-CG 3.97Å; W2179-Y2236 AromaticContact CD2-CZ 3.56Å; W2179-Y2236 VanDerWaalsContact CD2-CZ 3.47Å; W2179-Y2236 AromaticContact CE2-CD1 3.76Å; W2179-Y2236 AromaticContact CE2-CE1 3.69Å; W2179-Y2236 AromaticContact CE3-CD1 3.52Å; W2179-Y2236 HydrophobicContact CE3-CD1 3.52Å; W2179-Y2236 VanDerWaalsContact CE3-CD1 3.41Å; W2179-Y2236 AromaticContact CE3-CD2 3.49Å; W2179-Y2236 HydrophobicContact CE3-CD2 3.49Å; W2179-Y2236 VanDerWaalsContact CE3-CD2 3.45Å; W2179-Y2236 AromaticContact CE3-CE1 3.71Å; W2179-Y2236 HydrophobicContact CE3-CE1 3.71Å; W2179-Y2236 AromaticContact CE3-CE2 3.69Å; W2179-Y2236 HydrophobicContact CE3-CE2 3.69Å; W2179-Y2236 AromaticContact CE3-CG 3.41Å; W2179-Y2236 HydrophobicContact CE3-CG 3.41Å; W2179-Y2236 VanDerWaalsContact CE3-CG 3.45Å; W2179-Y2236 AromaticContact CE3-CZ 3.79Å; W2179-Y2236 HydrophobicContact CG-CD1 4.26Å; W2179-Y2236 AromaticContact CG-CE1 3.54Å; W2179-Y2236 HydrophobicContact CG-CE1 3.54Å; W2179-Y2236 VanDerWaalsContact CG-CE1 3.45Å; W2179-Y2236 AromaticContact CG-CE2 3.99Å; W2179-Y2236 HydrophobicContact CG-CE2 4.07Å; W2179-Y2236 AromaticContact CG-CZ 3.43Å; W2179-Y2236 VanDerWaalsContact CG-CZ 3.47Å; W2179-Y2236 AromaticContact CH2-CD1 3.86Å; W2179-Y2236 HydrophobicContact CH2-CD1 3.86Å; W2179-Y2236 HydrophobicContact CH2-CE1 4.48Å; W2179-Y2236 AromaticContact CH2-CG 3.94Å; W2179-Y2236 HydrophobicContact CH2-CG 4.01Å; W2179-Y2236 AromaticContact CZ2-CD1 3.89Å; W2179-Y2236 HydrophobicContact CZ2-CD1 3.93Å; W2179-Y2236 HydrophobicContact CZ2-CE1 4.32Å; W2179-Y2236 HydrophobicContact CZ2-CG 4.46Å; W2179-Y2236 VanDerWaalsContact CZ3-CB 3.44Å; W2179-Y2236 AromaticContact CZ3-CD1 3.66Å; W2179-Y2236 HydrophobicContact CZ3-CD1 3.66Å; W2179-Y2236 AromaticContact CZ3-CD2 3.9Å; W2179-Y2236 HydrophobicContact CZ3-CD2 3.9Å; W2179-Y2236 HydrophobicContact CZ3-CE1 4.31Å; W2179-Y2236 HydrophobicContact CZ3-CE2 4.49Å; W2179-Y2236 AromaticContact CZ3-CG 3.42Å; W2179-Y2236 HydrophobicContact CZ3-CG 3.42Å; W2179-Y2236 VanDerWaalsContact CZ3-CG 3.47Å; W2179-Y2236 AromaticContact NE1-CE1 3.92Å; A2187-Y2236 HydrophobicContact CB-CD2 4.23Å; A2187-Y2236 HydrophobicContact CB-CE2 4.06Å; Q2188-Y2236 VanDerWaalsContact NE2-C 3.28Å; Q2188-Y2236 PolarHBondContact NE2-O 3.02Å; L2191-Y2236 HydrophobicContact CD1-CD2 3.67Å; L2191-Y2236 HydrophobicContact CD1-CE2 4.01Å; L2191-Y2236 HydrophobicContact CD1-CG 4.48Å; L2232-Y2236 HydrophobicContact CD1-CD1 4.32Å; L2232-Y2236 HydrophobicContact CD1-CE1 3.63Å; L2232-Y2236 HydrophobicContact CD1-CE2 4.18Å; L2232-Y2236 VanDerWaalsContact CD1-CZ 3.49Å; L2232-Y2236 HydrophobicContact CD2-CE2 4.21Å; L2232-Y2236 HydrophobicContact CG-CD2 4.4Å; L2232-Y2236 HydrophobicContact CG-CE1 4.21Å; L2232-Y2236 HydrophobicContact CG-CE2 3.92Å; L2232-Y2236 WeakPolarHBondContact O-CB 3.38Å; L2232-Y2236 VanDerWaalsContact O-CG 3.31Å; L2232-Y2236 PolarHBondContact O-N 3.15Å; R2233-Y2236 PolarHBondContact O-N 3.11Å; R2233-Y2236 VanDerWaalsContact O-N 3.15Å; T2234-Y2236 PolarHBondContact O-N 3.15Å; Y2236-E2239 PolarHBondContact O-N 3.46Å; Y2236-T2240 WeakPolarHBondContact O-CG2 3.35Å; Y2236-T2240 PolarHBondContact O-N 3.01Å; Y2236-T2240 VanDerWaalsContact O-N 3.15Å; Y2236-T2240 PolarHBondContact O-OG1 3.12Å |
| 2237 | C | 85.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 173.3 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | R2233 T2234 R2235 N2241 R2242 Y2243 | R2233-C2237 PolarHBondContact O-N 3.11Å; R2233-C2237 PolarHBondContact O-SG 3.34Å; T2234-C2237 WeakPolarHBondContact O-CB 3.18Å; T2234-C2237 PolarHBondContact O-N 3.17Å; R2235-C2237 VanDerWaalsContact C-N 3.3Å; R2235-C2237 PolarHBondContact O-N 3.34Å; C2237-N2241 WeakPolarHBondContact O-CA 3.07Å; C2237-N2241 PolarHBondContact O-N 3.19Å; C2237-N2241 VanDerWaalsContact O-N 3.14Å; C2237-R2242 PolarHBondContact O-N 3.15Å; C2237-Y2243 HydrophobicContact CB-CD2 3.96Å; C2237-Y2243 HydrophobicContact CB-CE2 4.3Å |
| 2238 | E | 84.5 | Confident | 83.3 | Confident | 14.3333 Ų | 14.3333 | 50.3 Ų | 50.3 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -53.9 | 172.2 | 176.5 | -169.7 | 165.3 | 0 | 0 | 110.7 | T2234 R2235 T2240 N2241 T2248 Y2252 R2271 Y2272 R2275 | T2234-E2238 PolarHBondContact O-N 3.32Å; R2235-E2238 WeakPolarHBondContact O-CB 3.33Å; R2235-E2238 PolarHBondContact O-N 3.13Å; E2238-T2240 VanDerWaalsContact C-N 3.28Å; E2238-T2240 PolarHBondContact O-N 3.31Å; E2238-N2241 PolarHBondContact O-N 3.25Å; E2238-N2241 PolarHBondContact O-OD1 3.21Å; E2238-T2248 HydrophobicContact CB-CG2 4.36Å; E2238-Y2252 PolarHBondContact OE2-OH 3.2Å; E2238-R2271 IonicContact OE1-NH2 3.55Å; E2238-Y2272 HydrophobicContact CB-CD2 4.42Å; E2238-Y2272 HydrophobicContact CB-CE2 4.45Å; E2238-Y2272 HydrophobicContact CG-CD2 3.64Å; E2238-Y2272 HydrophobicContact CG-CE2 3.83Å; E2238-R2275 IonicContact OE1-NH1 3.29Å; E2238-R2275 PolarHBondContact OE1-NH1 3.42Å |
| 2239 | E | 83 | Confident | 83.3 | Confident | 73 Ų | 73 | 47.7 Ų | 47.7 | 34% | 0.341 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.2 | -23.9 | -173.6 | -72.8 | -176.3 | -163.6 | 0 | 0 | 113.3 | W2179 R2235 Y2236 | W2179-E2239 HydrophobicContact CH2-CB 3.87Å; W2179-E2239 HydrophobicContact CZ2-CB 3.7Å; W2179-E2239 HydrophobicContact CZ2-CG 4.44Å; W2179-E2239 WeakPolarHBondContact CZ2-OE2 3.39Å; R2235-E2239 IonicContact CZ-OE1 3.07Å; R2235-E2239 VanDerWaalsContact CZ-OE1 3.31Å; R2235-E2239 IonicContact NE-OE1 3.53Å; R2235-E2239 PolarHBondContact NE-OE1 3.05Å; R2235-E2239 IonicContact NH2-OE1 3.15Å; R2235-E2239 PolarHBondContact NH2-OE1 3.21Å; R2235-E2239 IonicContact NH2-OE2 3.44Å; R2235-E2239 PolarHBondContact O-N 2.89Å; Y2236-E2239 PolarHBondContact O-N 3.46Å |
| 2240 | T | 84.2 | Confident | 83.4 | Confident | 44.6667 Ų | 44.6667 | 52.6 Ų | 52.6 | 27% | 0.274 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -1.7 | 171.2 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | W2179 R2184 Q2188 Y2236 E2238 R2242 | W2179-T2240 HydrophobicContact CH2-CG2 3.68Å; W2179-T2240 HydrophobicContact CZ3-CG2 3.92Å; R2184-T2240 HydrophobicContact CB-CG2 4.02Å; Q2188-T2240 PolarHBondContact NE2-OG1 3.12Å; Y2236-T2240 WeakPolarHBondContact O-CG2 3.35Å; Y2236-T2240 PolarHBondContact O-N 3.01Å; Y2236-T2240 VanDerWaalsContact O-N 3.15Å; Y2236-T2240 PolarHBondContact O-OG1 3.12Å; E2238-T2240 VanDerWaalsContact C-N 3.28Å; E2238-T2240 PolarHBondContact O-N 3.31Å; T2240-R2242 VanDerWaalsContact C-N 3.25Å; T2240-R2242 PolarHBondContact O-N 3.42Å |
| 2241 | N | 81.8 | Confident | 83.3 | Confident | 133 Ų | 133 | 52.8 Ų | 52.8 | 71% | 0.711 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 42.8 | -172 | -65.2 | -41.5 | 0 | 0 | 0 | 113.6 | C2237 E2238 Y2243 | C2237-N2241 WeakPolarHBondContact O-CA 3.07Å; C2237-N2241 PolarHBondContact O-N 3.19Å; C2237-N2241 VanDerWaalsContact O-N 3.14Å; E2238-N2241 PolarHBondContact O-N 3.25Å; E2238-N2241 PolarHBondContact O-OD1 3.21Å; N2241-Y2243 VanDerWaalsContact C-N 3.33Å; N2241-Y2243 PolarHBondContact O-N 3.25Å |
| 2242 | R | 73.9 | Confident | 83.3 | Confident | 113.333 Ų | 113.333 | 52.5 Ų | 52.5 | 43% | 0.428 | 25% | 0.246 | S | C | . | . | trans | -71.6 | -32.3 | -174.5 | -177.8 | 170.4 | 177.7 | -162.1 | -4 | 113 | Q2188 D2192 C2237 T2240 | Q2188-R2242 VanDerWaalsContact OE1-NH1 3.13Å; D2192-R2242 IonicContact OD2-CZ 2.91Å; D2192-R2242 IonicContact OD2-NH1 3.71Å; D2192-R2242 PolarHBondContact OD2-NH1 3.3Å; D2192-R2242 VanDerWaalsContact OD2-NH1 3.09Å; D2192-R2242 IonicContact OD2-NH2 3.35Å; C2237-R2242 PolarHBondContact O-N 3.15Å; T2240-R2242 VanDerWaalsContact C-N 3.25Å; T2240-R2242 PolarHBondContact O-N 3.42Å | ||
| 2243 | Y | 79.2 | Confident | 83.2 | Confident | 84.6667 Ų | 84.6667 | 56.8 Ų | 56.8 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -120.1 | 163.5 | -175.8 | -62.5 | -64 | 0 | 0 | 0 | 111.4 | C2237 N2241 T2247 T2248 L2251 | C2237-Y2243 HydrophobicContact CB-CD2 3.96Å; C2237-Y2243 HydrophobicContact CB-CE2 4.3Å; N2241-Y2243 VanDerWaalsContact C-N 3.33Å; N2241-Y2243 PolarHBondContact O-N 3.25Å; Y2243-T2247 WeakPolarHBondContact CB-OG1 3.38Å; Y2243-T2248 WeakPolarHBondContact CB-OG1 3.44Å; Y2243-L2251 HydrophobicContact CD2-CD1 4.2Å; Y2243-L2251 HydrophobicContact CE2-CD1 4.36Å |
| 2244 | D | 80.8 | Confident | 83 | Confident | 89.3333 Ų | 89.3333 | 58.3 Ų | 58.3 | 48% | 0.478 | 28% | 0.276 | S | S | . | . | trans | -68 | 167.6 | 173 | 64.7 | -37.1 | 0 | 0 | 0 | 111.9 | E2246 T2247 T2248 | D2244-E2246 VanDerWaalsContact C-N 3.31Å; D2244-E2246 PolarHBondContact O-N 2.85Å; D2244-E2246 PolarHBondContact OD2-N 3.2Å; D2244-T2247 VanDerWaalsContact CG-OG1 3.29Å; D2244-T2247 PolarHBondContact N-OG1 3.13Å; D2244-T2247 PolarHBondContact O-N 3.41Å; D2244-T2247 PolarHBondContact O-OG1 2.93Å; D2244-T2247 VanDerWaalsContact O-OG1 3.06Å; D2244-T2247 WeakPolarHBondContact OD1-CB 3.34Å; D2244-T2247 WeakPolarHBondContact OD1-CG2 3.34Å; D2244-T2247 PolarHBondContact OD1-N 2.9Å; D2244-T2247 PolarHBondContact OD1-OG1 3.25Å; D2244-T2247 PolarHBondContact OD2-N 3.4Å; D2244-T2248 WeakPolarHBondContact O-CB 3.42Å; D2244-T2248 PolarHBondContact O-N 3.01Å; D2244-T2248 VanDerWaalsContact O-N 3.1Å; D2244-T2248 PolarHBondContact O-OG1 3.24Å | ||
| 2245 | F | 78.7 | Confident | 82.9 | Confident | 78.3333 Ų | 78.3333 | 58.3 Ų | 58.3 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | -177.1 | 176.9 | -97.7 | 0 | 0 | 0 | 112.7 | G2249 Y2272 V2273 A2276 L2289 | F2245-G2249 PolarHBondContact O-N 2.97Å; F2245-Y2272 WeakPolarHBondContact CA-OH 3.38Å; F2245-Y2272 HydrophobicContact CD2-CD1 4.19Å; F2245-Y2272 AromaticContact CD2-CE1 3.34Å; F2245-Y2272 HydrophobicContact CD2-CE1 3.34Å; F2245-Y2272 HydrophobicContact CD2-CE2 4.44Å; F2245-Y2272 AromaticContact CD2-CZ 3.57Å; F2245-Y2272 VanDerWaalsContact CD2-CZ 3.49Å; F2245-Y2272 WeakPolarHBondContact CD2-OH 3.38Å; F2245-Y2272 AromaticContact CE2-CD1 3.76Å; F2245-Y2272 HydrophobicContact CE2-CD1 3.76Å; F2245-Y2272 AromaticContact CE2-CE1 3.37Å; F2245-Y2272 HydrophobicContact CE2-CE1 3.37Å; F2245-Y2272 AromaticContact CE2-CZ 3.88Å; F2245-Y2272 HydrophobicContact CG-CE1 4.32Å; F2245-Y2272 HydrophobicContact CZ-CE1 4.39Å; F2245-V2273 HydrophobicContact CZ-CG2 4.33Å; F2245-A2276 HydrophobicContact CD2-CB 3.54Å; F2245-A2276 VanDerWaalsContact CD2-CB 3.47Å; F2245-A2276 HydrophobicContact CE2-CB 3.12Å; F2245-A2276 HydrophobicContact CG-CB 4.47Å; F2245-A2276 HydrophobicContact CZ-CB 3.77Å; F2245-L2289 HydrophobicContact CE1-CD2 3.66Å; F2245-L2289 HydrophobicContact CE2-CD2 4.45Å; F2245-L2289 HydrophobicContact CZ-CD2 3.54Å; F2245-L2289 VanDerWaalsContact CZ-CD2 3.47Å |
| 2246 | E | 80.2 | Confident | 82.7 | Confident | 122.333 Ų | 122.333 | 55.4 Ų | 55.4 | 57% | 0.572 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -70.5 | -42.7 | -175.4 | -136 | -173.6 | 160.8 | 0 | 0 | 112 | D2244 G2249 K2250 | D2244-E2246 VanDerWaalsContact C-N 3.31Å; D2244-E2246 PolarHBondContact O-N 2.85Å; D2244-E2246 PolarHBondContact OD2-N 3.2Å; E2246-G2249 PolarHBondContact O-N 3.1Å; E2246-K2250 WeakPolarHBondContact O-CB 3.35Å; E2246-K2250 VanDerWaalsContact O-CG 3.29Å; E2246-K2250 WeakPolarHBondContact O-CG 3.38Å; E2246-K2250 PolarHBondContact O-N 3.22Å; E2246-K2250 WeakPolarHBondContact OE1-CE 3.37Å; E2246-K2250 IonicContact OE1-NZ 2.83Å; E2246-K2250 PolarHBondContact OE1-NZ 2.96Å |
| 2247 | T | 83.1 | Confident | 82.4 | Confident | 49.3333 Ų | 49.3333 | 59.3 Ų | 59.3 | 30% | 0.303 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 176.8 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | Y2243 D2244 G2249 K2250 L2251 | Y2243-T2247 WeakPolarHBondContact CB-OG1 3.38Å; D2244-T2247 VanDerWaalsContact CG-OG1 3.29Å; D2244-T2247 PolarHBondContact N-OG1 3.13Å; D2244-T2247 PolarHBondContact O-N 3.41Å; D2244-T2247 PolarHBondContact O-OG1 2.93Å; D2244-T2247 VanDerWaalsContact O-OG1 3.06Å; D2244-T2247 WeakPolarHBondContact OD1-CB 3.34Å; D2244-T2247 WeakPolarHBondContact OD1-CG2 3.34Å; D2244-T2247 PolarHBondContact OD1-N 2.9Å; D2244-T2247 PolarHBondContact OD1-OG1 3.25Å; D2244-T2247 PolarHBondContact OD2-N 3.4Å; T2247-G2249 VanDerWaalsContact C-N 3.33Å; T2247-G2249 PolarHBondContact O-N 3.21Å; T2247-K2250 PolarHBondContact O-N 3.21Å; T2247-L2251 VanDerWaalsContact O-CG 3.32Å; T2247-L2251 WeakPolarHBondContact O-CG 3.38Å; T2247-L2251 PolarHBondContact O-N 2.82Å |
| 2248 | T | 82.3 | Confident | 81.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 175.4 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | E2238 Y2243 D2244 L2251 Y2252 Y2272 | E2238-T2248 HydrophobicContact CB-CG2 4.36Å; Y2243-T2248 WeakPolarHBondContact CB-OG1 3.44Å; D2244-T2248 WeakPolarHBondContact O-CB 3.42Å; D2244-T2248 PolarHBondContact O-N 3.01Å; D2244-T2248 VanDerWaalsContact O-N 3.1Å; D2244-T2248 PolarHBondContact O-OG1 3.24Å; T2248-L2251 WeakPolarHBondContact O-CB 3.36Å; T2248-L2251 PolarHBondContact O-N 3.02Å; T2248-Y2252 HydrophobicContact CG2-CD2 4.21Å; T2248-Y2252 HydrophobicContact CG2-CE2 4.13Å; T2248-Y2252 WeakPolarHBondContact O-CD2 3.43Å; T2248-Y2252 PolarHBondContact O-N 3.08Å; T2248-Y2252 VanDerWaalsContact O-N 3.11Å; T2248-Y2272 WeakPolarHBondContact CB-OH 3.45Å; T2248-Y2272 HydrophobicContact CG2-CD1 4.38Å; T2248-Y2272 HydrophobicContact CG2-CE1 3.83Å; T2248-Y2272 HydrophobicContact CG2-CE2 4.19Å |
| 2249 | G | 83.1 | Confident | 81.2 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F2245 E2246 T2247 L2251 Y2252 E2253 | F2245-G2249 PolarHBondContact O-N 2.97Å; E2246-G2249 PolarHBondContact O-N 3.1Å; T2247-G2249 VanDerWaalsContact C-N 3.33Å; T2247-G2249 PolarHBondContact O-N 3.21Å; G2249-L2251 VanDerWaalsContact C-N 3.3Å; G2249-L2251 PolarHBondContact O-N 3.04Å; G2249-Y2252 WeakPolarHBondContact O-CB 3.48Å; G2249-Y2252 PolarHBondContact O-N 3.38Å; G2249-Y2252 VanDerWaalsContact O-N 3.13Å; G2249-E2253 WeakPolarHBondContact O-CG 3.32Å; G2249-E2253 PolarHBondContact O-N 3.05Å |
| 2250 | K | 84.5 | Confident | 80.5 | Confident | 103.333 Ų | 103.333 | 63.3 Ų | 63.3 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 176.2 | -74.7 | 170.7 | -174.6 | 165.7 | 0 | 112.5 | E2246 T2247 E2253 Q2254 | E2246-K2250 WeakPolarHBondContact O-CB 3.35Å; E2246-K2250 VanDerWaalsContact O-CG 3.29Å; E2246-K2250 WeakPolarHBondContact O-CG 3.38Å; E2246-K2250 PolarHBondContact O-N 3.22Å; E2246-K2250 WeakPolarHBondContact OE1-CE 3.37Å; E2246-K2250 IonicContact OE1-NZ 2.83Å; E2246-K2250 PolarHBondContact OE1-NZ 2.96Å; T2247-K2250 PolarHBondContact O-N 3.21Å; K2250-E2253 PolarHBondContact O-N 3.13Å; K2250-Q2254 VanDerWaalsContact O-CG 3.27Å; K2250-Q2254 WeakPolarHBondContact O-CG 3.31Å; K2250-Q2254 PolarHBondContact O-N 3.09Å |
| 2251 | L | 84.8 | Confident | 80 | Confident | 24.6667 Ų | 24.6667 | 62.7 Ų | 62.7 | 13% | 0.129 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | 175.4 | -72.9 | 173.1 | 0 | 0 | 0 | 111.2 | T2234 Y2243 T2247 T2248 G2249 Q2254 V2255 | T2234-L2251 HydrophobicContact CG2-CB 3.64Å; Y2243-L2251 HydrophobicContact CD2-CD1 4.2Å; Y2243-L2251 HydrophobicContact CE2-CD1 4.36Å; T2247-L2251 VanDerWaalsContact O-CG 3.32Å; T2247-L2251 WeakPolarHBondContact O-CG 3.38Å; T2247-L2251 PolarHBondContact O-N 2.82Å; T2248-L2251 WeakPolarHBondContact O-CB 3.36Å; T2248-L2251 PolarHBondContact O-N 3.02Å; G2249-L2251 VanDerWaalsContact C-N 3.3Å; G2249-L2251 PolarHBondContact O-N 3.04Å; L2251-Q2254 WeakPolarHBondContact O-CB 3.19Å; L2251-Q2254 PolarHBondContact O-N 3.27Å; L2251-V2255 VanDerWaalsContact O-CG2 3.27Å; L2251-V2255 WeakPolarHBondContact O-CG2 3.34Å; L2251-V2255 PolarHBondContact O-N 3.23Å; L2251-V2255 VanDerWaalsContact O-N 3.14Å |
| 2252 | Y | 85.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 175.5 | -87.4 | -61.6 | 0 | 0 | 0 | 112.6 | L2231 T2234 E2238 T2248 G2249 Q2254 V2255 C2256 R2268 L2269 Y2272 | L2231-Y2252 HydrophobicContact CD1-CD1 4.24Å; L2231-Y2252 HydrophobicContact CD1-CE1 3.83Å; T2234-Y2252 HydrophobicContact CG2-CD1 3.63Å; T2234-Y2252 HydrophobicContact CG2-CD2 3.47Å; T2234-Y2252 VanDerWaalsContact CG2-CD2 3.43Å; T2234-Y2252 HydrophobicContact CG2-CE1 3.7Å; T2234-Y2252 HydrophobicContact CG2-CE2 3.58Å; T2234-Y2252 HydrophobicContact CG2-CG 3.5Å; T2234-Y2252 VanDerWaalsContact CG2-CG 3.48Å; E2238-Y2252 PolarHBondContact OE2-OH 3.2Å; T2248-Y2252 HydrophobicContact CG2-CD2 4.21Å; T2248-Y2252 HydrophobicContact CG2-CE2 4.13Å; T2248-Y2252 WeakPolarHBondContact O-CD2 3.43Å; T2248-Y2252 PolarHBondContact O-N 3.08Å; T2248-Y2252 VanDerWaalsContact O-N 3.11Å; G2249-Y2252 WeakPolarHBondContact O-CB 3.48Å; G2249-Y2252 PolarHBondContact O-N 3.38Å; G2249-Y2252 VanDerWaalsContact O-N 3.13Å; Y2252-Q2254 VanDerWaalsContact C-N 3.3Å; Y2252-Q2254 PolarHBondContact O-N 3.22Å; Y2252-V2255 WeakPolarHBondContact O-CB 3.4Å; Y2252-V2255 PolarHBondContact O-N 3.21Å; Y2252-V2255 VanDerWaalsContact O-N 3.15Å; Y2252-C2256 PolarHBondContact O-N 3.1Å; Y2252-C2256 PolarHBondContact O-SG 3.08Å; Y2252-C2256 VanDerWaalsContact O-SG 3.33Å; Y2252-R2268 HydrophobicContact CE1-CB 3.8Å; Y2252-L2269 HydrophobicContact CD1-CB 4.39Å; Y2252-L2269 HydrophobicContact CD2-CD1 4.43Å; Y2252-L2269 HydrophobicContact CG-CB 4.23Å; Y2252-L2269 HydrophobicContact CG-CD1 4.27Å; Y2252-Y2272 HydrophobicContact CD2-CD1 4.33Å; Y2252-Y2272 HydrophobicContact CD2-CG 4.36Å; Y2252-Y2272 HydrophobicContact CE2-CD1 4.36Å; Y2252-Y2272 AromaticContact CE2-CG 3.99Å; Y2252-Y2272 HydrophobicContact CE2-CG 4.21Å |
| 2253 | E | 84.9 | Confident | 80.2 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 50% | 0.495 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61 | -39 | 174.8 | -72.5 | 176.4 | 177.1 | 0 | 0 | 112 | G2249 K2250 V2255 C2256 S2257 L2269 | G2249-E2253 WeakPolarHBondContact O-CG 3.32Å; G2249-E2253 PolarHBondContact O-N 3.05Å; K2250-E2253 PolarHBondContact O-N 3.13Å; E2253-V2255 VanDerWaalsContact C-N 3.34Å; E2253-V2255 PolarHBondContact O-N 3.41Å; E2253-C2256 PolarHBondContact O-N 3.21Å; E2253-S2257 WeakPolarHBondContact O-CB 3.33Å; E2253-S2257 PolarHBondContact O-N 3.06Å; E2253-S2257 PolarHBondContact O-OG 2.93Å; E2253-S2257 VanDerWaalsContact O-OG 3.07Å; E2253-L2269 HydrophobicContact CG-CD2 4.36Å |
| 2254 | Q | 83.7 | Confident | 80.4 | Confident | 92.6667 Ų | 92.6667 | 51.3 Ų | 51.3 | 43% | 0.433 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 172.8 | -72.9 | 170.8 | 7.7 | 0 | 0 | 111.7 | F2204 K2250 L2251 Y2252 C2256 S2257 F2258 | F2204-Q2254 HydrophobicContact CE1-CB 4.42Å; F2204-Q2254 HydrophobicContact CZ-CB 4.15Å; K2250-Q2254 VanDerWaalsContact O-CG 3.27Å; K2250-Q2254 WeakPolarHBondContact O-CG 3.31Å; K2250-Q2254 PolarHBondContact O-N 3.09Å; L2251-Q2254 WeakPolarHBondContact O-CB 3.19Å; L2251-Q2254 PolarHBondContact O-N 3.27Å; Y2252-Q2254 VanDerWaalsContact C-N 3.3Å; Y2252-Q2254 PolarHBondContact O-N 3.22Å; Q2254-C2256 VanDerWaalsContact C-N 3.32Å; Q2254-C2256 PolarHBondContact O-N 3.33Å; Q2254-S2257 WeakPolarHBondContact CA-OG 3.41Å; Q2254-S2257 PolarHBondContact O-N 2.98Å; Q2254-S2257 PolarHBondContact O-OG 3.28Å; Q2254-S2257 VanDerWaalsContact O-OG 3.05Å; Q2254-F2258 WeakPolarHBondContact O-CB 3.49Å; Q2254-F2258 PolarHBondContact O-N 3.15Å; Q2254-F2258 VanDerWaalsContact O-N 3.08Å |
| 2255 | V | 83.4 | Confident | 80.6 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 176.4 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | Q2227 L2230 L2231 T2234 L2251 Y2252 E2253 F2258 A2265 | Q2227-V2255 HydrophobicContact CG-CG1 4.07Å; Q2227-V2255 PolarHBondContact NE2-O 3.19Å; Q2227-V2255 VanDerWaalsContact NE2-O 3.14Å; L2230-V2255 HydrophobicContact CB-CG2 3.86Å; L2231-V2255 HydrophobicContact CB-CG1 3.97Å; L2231-V2255 HydrophobicContact CD1-CG1 4.24Å; T2234-V2255 HydrophobicContact CG2-CG2 3.78Å; L2251-V2255 VanDerWaalsContact O-CG2 3.27Å; L2251-V2255 WeakPolarHBondContact O-CG2 3.34Å; L2251-V2255 PolarHBondContact O-N 3.23Å; L2251-V2255 VanDerWaalsContact O-N 3.14Å; Y2252-V2255 WeakPolarHBondContact O-CB 3.4Å; Y2252-V2255 PolarHBondContact O-N 3.21Å; Y2252-V2255 VanDerWaalsContact O-N 3.15Å; E2253-V2255 VanDerWaalsContact C-N 3.34Å; E2253-V2255 PolarHBondContact O-N 3.41Å; V2255-F2258 PolarHBondContact O-N 2.91Å; V2255-A2265 HydrophobicContact CG1-CB 3.91Å |
| 2256 | C | 82.6 | Confident | 81 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.5 | -35.6 | 178.3 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | Y2252 E2253 Q2254 F2258 N2259 | Y2252-C2256 PolarHBondContact O-N 3.1Å; Y2252-C2256 PolarHBondContact O-SG 3.08Å; Y2252-C2256 VanDerWaalsContact O-SG 3.33Å; E2253-C2256 PolarHBondContact O-N 3.21Å; Q2254-C2256 VanDerWaalsContact C-N 3.32Å; Q2254-C2256 PolarHBondContact O-N 3.33Å; C2256-F2258 VanDerWaalsContact C-N 3.33Å; C2256-F2258 PolarHBondContact O-N 3.37Å; C2256-N2259 CarbonylContact O-C 3.56Å |
| 2257 | S | 80.6 | Confident | 81.4 | Confident | 90 Ų | 90 | 38.2 Ų | 38.2 | 63% | 0.629 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -74.7 | -24.5 | 178 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | E2253 Q2254 N2259 | E2253-S2257 WeakPolarHBondContact O-CB 3.33Å; E2253-S2257 PolarHBondContact O-N 3.06Å; E2253-S2257 PolarHBondContact O-OG 2.93Å; E2253-S2257 VanDerWaalsContact O-OG 3.07Å; Q2254-S2257 WeakPolarHBondContact CA-OG 3.41Å; Q2254-S2257 PolarHBondContact O-N 2.98Å; Q2254-S2257 PolarHBondContact O-OG 3.28Å; Q2254-S2257 VanDerWaalsContact O-OG 3.05Å; S2257-N2259 PolarHBondContact O-N 3.27Å |
| 2258 | F | 73.4 | Confident | 81.5 | Confident | 36.3333 Ų | 36.3333 | 37.4 Ų | 37.4 | 16% | 0.159 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | -178.6 | -170 | -102.5 | 0 | 0 | 0 | 113.1 | I2203 F2204 V2206 T2223 A2226 Q2227 L2230 Q2254 V2255 C2256 | I2203-F2258 HydrophobicContact CB-CE2 4.4Å; I2203-F2258 HydrophobicContact CG1-CE2 4.28Å; I2203-F2258 HydrophobicContact CG1-CZ 4.49Å; I2203-F2258 HydrophobicContact CG2-CD2 3.75Å; I2203-F2258 HydrophobicContact CG2-CE2 3.39Å; I2203-F2258 HydrophobicContact CG2-CZ 3.81Å; I2203-F2258 VanDerWaalsContact O-CE2 3.31Å; I2203-F2258 WeakPolarHBondContact O-CE2 3.39Å; F2204-F2258 AromaticContact CD1-CD2 3.85Å; F2204-F2258 HydrophobicContact CD1-CD2 3.85Å; F2204-F2258 HydrophobicContact CE1-CB 4.4Å; F2204-F2258 AromaticContact CE1-CD2 3.96Å; F2204-F2258 HydrophobicContact CE1-CD2 3.96Å; V2206-F2258 HydrophobicContact CB-CD2 4.49Å; V2206-F2258 HydrophobicContact CB-CE2 3.84Å; V2206-F2258 HydrophobicContact CB-CZ 4.27Å; V2206-F2258 HydrophobicContact CG1-CD2 4.17Å; V2206-F2258 HydrophobicContact CG1-CE2 4Å; V2206-F2258 HydrophobicContact CG2-CE2 4.02Å; V2206-F2258 HydrophobicContact CG2-CZ 3.91Å; T2223-F2258 HydrophobicContact CG2-CE1 3.83Å; T2223-F2258 HydrophobicContact CG2-CZ 4.05Å; T2223-F2258 WeakPolarHBondContact O-CE1 3.31Å; A2226-F2258 HydrophobicContact CB-CE1 4.27Å; A2226-F2258 HydrophobicContact CB-CZ 4.31Å; Q2227-F2258 HydrophobicContact CB-CD1 3.88Å; Q2227-F2258 HydrophobicContact CB-CE1 4.11Å; Q2227-F2258 HydrophobicContact CG-CD1 4.22Å; L2230-F2258 HydrophobicContact CD1-CD1 4.49Å; L2230-F2258 HydrophobicContact CD1-CD2 4.48Å; L2230-F2258 HydrophobicContact CD1-CG 4.43Å; Q2254-F2258 WeakPolarHBondContact O-CB 3.49Å; Q2254-F2258 PolarHBondContact O-N 3.15Å; Q2254-F2258 VanDerWaalsContact O-N 3.08Å; V2255-F2258 PolarHBondContact O-N 2.91Å; C2256-F2258 VanDerWaalsContact C-N 3.33Å; C2256-F2258 PolarHBondContact O-N 3.37Å |
| 2259 | N | 71.8 | Confident | 81.8 | Confident | 57.6667 Ų | 57.6667 | 37.4 Ų | 37.4 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -146.5 | 109.2 | 172.4 | 178.6 | 14.4 | 0 | 0 | 0 | 109.3 | Q2227 C2256 S2257 G2261 | Q2227-N2259 PolarHBondContact NE2-O 2.94Å; Q2227-N2259 VanDerWaalsContact OE1-CB 3.31Å; Q2227-N2259 PolarHBondContact OE1-ND2 3.13Å; Q2227-N2259 VanDerWaalsContact OE1-ND2 3.15Å; C2256-N2259 CarbonylContact O-C 3.56Å; S2257-N2259 PolarHBondContact O-N 3.27Å; N2259-G2261 VanDerWaalsContact C-N 3.34Å; N2259-G2261 PolarHBondContact O-N 3.27Å; N2259-G2261 PolarHBondContact OD1-N 3.32Å |
| 2260 | S | 68.3 | Low | 82 | Confident | 78.3333 Ų | 78.3333 | 37 Ų | 37 | 55% | 0.548 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 59.3 | -176.2 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | H2266 Y2303 | S2260-H2266 PolarHBondContact O-NE2 2.77Å; S2260-Y2303 WeakPolarHBondContact O-CE2 3.3Å; S2260-Y2303 PolarHBondContact O-OH 3.42Å |
| 2261 | G | 73 | Confident | 82.2 | Confident | 31.3333 Ų | 31.3333 | 34.5 Ų | 34.5 | 32% | 0.323 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -169 | 1.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | N2259 E2263 Y2303 | N2259-G2261 VanDerWaalsContact C-N 3.34Å; N2259-G2261 PolarHBondContact O-N 3.27Å; N2259-G2261 PolarHBondContact OD1-N 3.32Å; G2261-E2263 PolarHBondContact O-N 3.1Å; G2261-Y2303 WeakPolarHBondContact O-CB 3.22Å |
| 2262 | Y | 76.6 | Confident | 82.2 | Confident | 36.3333 Ų | 36.3333 | 34.5 Ų | 34.5 | 14% | 0.142 | 19% | 0.185 | C | C | . | . | trans | -90.5 | 103.4 | -174 | -161.6 | -114.6 | 0 | 0 | 0 | 112.2 | Q2227 L2231 E2264 A2265 H2266 | Q2227-Y2262 HydrophobicContact CG-CD1 4.4Å; Q2227-Y2262 VanDerWaalsContact NE2-CB 3.3Å; L2231-Y2262 HydrophobicContact CD2-CD1 4.15Å; L2231-Y2262 HydrophobicContact CD2-CE1 3.5Å; Y2262-E2264 VanDerWaalsContact C-N 3.33Å; Y2262-E2264 HydrophobicContact CD1-CB 4.21Å; Y2262-E2264 HydrophobicContact CE1-CB 3.69Å; Y2262-E2264 HydrophobicContact CE1-CG 4.37Å; Y2262-E2264 PolarHBondContact O-N 3.07Å; Y2262-E2264 PolarHBondContact OH-OE2 3.07Å; Y2262-E2264 VanDerWaalsContact OH-OE2 3.06Å; Y2262-A2265 HydrophobicContact CD1-CB 3.85Å; Y2262-A2265 PolarHBondContact O-N 3.01Å; Y2262-H2266 PolarHBondContact O-CD2 3.03Å; Y2262-H2266 PolarHBondContact O-N 3.1Å | ||
| 2263 | E | 83 | Confident | 82.2 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -49.9 | -49.2 | -178.3 | 177.6 | -174.1 | 173.6 | 0 | 0 | 112.3 | G2261 A2265 H2266 F2267 A2300 G2304 S2305 Q2306 F2307 | G2261-E2263 PolarHBondContact O-N 3.1Å; E2263-A2265 VanDerWaalsContact C-N 3.32Å; E2263-A2265 PolarHBondContact O-N 3.08Å; E2263-H2266 PolarHBondContact O-N 3.43Å; E2263-F2267 WeakPolarHBondContact O-CB 3.39Å; E2263-F2267 PolarHBondContact O-N 3.33Å; E2263-A2300 HydrophobicContact CG-CB 4.43Å; E2263-G2304 VanDerWaalsContact CD-C 3.46Å; E2263-G2304 WeakPolarHBondContact OE2-CA 3.28Å; E2263-S2305 PolarHBondContact OE2-N 3.17Å; E2263-Q2306 WeakPolarHBondContact OE1-CA 3.21Å; E2263-Q2306 WeakPolarHBondContact OE1-CB 3.44Å; E2263-Q2306 PolarHBondContact OE1-N 3Å; E2263-Q2306 VanDerWaalsContact OE2-CB 3.32Å; E2263-Q2306 WeakPolarHBondContact OE2-CB 3.28Å; E2263-Q2306 PolarHBondContact OE2-N 3.04Å; E2263-Q2306 VanDerWaalsContact OE2-N 3.08Å; E2263-F2307 HydrophobicContact CG-CD2 4.1Å; E2263-F2307 WeakPolarHBondContact OE1-CD2 3.35Å; E2263-F2307 PolarHBondContact OE1-N 2.96Å |
| 2264 | E | 83.8 | Confident | 82.3 | Confident | 39.3333 Ų | 39.3333 | 30.2 Ų | 30.2 | 18% | 0.184 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.3 | -35.2 | -172.6 | -171.3 | -179.8 | -166.2 | 0 | 0 | 112.4 | L2231 Y2262 F2267 R2268 F2307 | L2231-E2264 HydrophobicContact CD2-CB 4.15Å; L2231-E2264 HydrophobicContact CD2-CG 3.87Å; Y2262-E2264 VanDerWaalsContact C-N 3.33Å; Y2262-E2264 HydrophobicContact CD1-CB 4.21Å; Y2262-E2264 HydrophobicContact CE1-CB 3.69Å; Y2262-E2264 HydrophobicContact CE1-CG 4.37Å; Y2262-E2264 PolarHBondContact O-N 3.07Å; Y2262-E2264 PolarHBondContact OH-OE2 3.07Å; Y2262-E2264 VanDerWaalsContact OH-OE2 3.06Å; E2264-F2267 PolarHBondContact O-N 3.46Å; E2264-R2268 HydrophobicContact CG-CG 4.14Å; E2264-R2268 WeakPolarHBondContact O-CB 3.19Å; E2264-R2268 VanDerWaalsContact O-CG 3.29Å; E2264-R2268 WeakPolarHBondContact O-CG 3.41Å; E2264-R2268 PolarHBondContact O-N 2.78Å; E2264-R2268 IonicContact OE1-CZ 3.33Å; E2264-R2268 IonicContact OE1-NE 3.08Å; E2264-R2268 PolarHBondContact OE1-NE 3.43Å; E2264-R2268 IonicContact OE1-NH2 3.38Å; E2264-R2268 PolarHBondContact OE1-NH2 2.96Å; E2264-F2307 HydrophobicContact CB-CE2 3.86Å; E2264-F2307 HydrophobicContact CB-CZ 4.38Å; E2264-F2307 HydrophobicContact CG-CE2 3.86Å; E2264-F2307 HydrophobicContact CG-CZ 3.91Å |
| 2265 | A | 85.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.9 | -48.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L2231 V2255 Y2262 E2263 F2267 R2268 L2269 | L2231-A2265 HydrophobicContact CD1-CB 4.15Å; L2231-A2265 HydrophobicContact CD2-CB 4.44Å; V2255-A2265 HydrophobicContact CG1-CB 3.91Å; Y2262-A2265 HydrophobicContact CD1-CB 3.85Å; Y2262-A2265 PolarHBondContact O-N 3.01Å; E2263-A2265 VanDerWaalsContact C-N 3.32Å; E2263-A2265 PolarHBondContact O-N 3.08Å; A2265-F2267 PolarHBondContact O-N 2.96Å; A2265-R2268 PolarHBondContact O-N 3.22Å; A2265-L2269 WeakPolarHBondContact O-CB 3.26Å; A2265-L2269 PolarHBondContact O-N 3.12Å |
| 2266 | H | 87.5 | Confident | 82.2 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.046 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 177.2 | -73 | -69.3 | 0 | 0 | 0 | 111.9 | S2260 Y2262 E2263 R2268 L2269 A2270 Q2296 L2299 A2300 Y2303 | S2260-H2266 PolarHBondContact O-NE2 2.77Å; Y2262-H2266 PolarHBondContact O-CD2 3.03Å; Y2262-H2266 PolarHBondContact O-N 3.1Å; E2263-H2266 PolarHBondContact O-N 3.43Å; H2266-R2268 PolarHBondContact O-N 3.27Å; H2266-L2269 PolarHBondContact O-N 3.18Å; H2266-A2270 WeakPolarHBondContact O-CB 3.31Å; H2266-A2270 PolarHBondContact O-N 3.06Å; H2266-Q2296 PolarHBondContact ND1-OE1 3.07Å; H2266-L2299 HydrophobicContact CB-CB 4.17Å; H2266-A2300 HydrophobicContact CB-CB 3.85Å; H2266-Y2303 AromaticContact CD2-CD2 3.67Å; H2266-Y2303 AromaticContact CD2-CE2 3.6Å; H2266-Y2303 AromaticContact NE2-CD2 3.94Å; H2266-Y2303 AromaticContact NE2-CE2 3.51Å; H2266-Y2303 WeakPolarHBondContact NE2-CE2 3.21Å |
| 2267 | F | 88.6 | Confident | 82.2 | Confident | 4.33333 Ų | 4.33333 | 32.9 Ų | 32.9 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 177.1 | 169.5 | -111.4 | 0 | 0 | 0 | 112 | E2263 E2264 A2265 A2270 R2271 Y2297 A2300 F2307 Q2310 S2311 | E2263-F2267 WeakPolarHBondContact O-CB 3.39Å; E2263-F2267 PolarHBondContact O-N 3.33Å; E2264-F2267 PolarHBondContact O-N 3.46Å; A2265-F2267 PolarHBondContact O-N 2.96Å; F2267-A2270 WeakPolarHBondContact O-CB 3.44Å; F2267-A2270 PolarHBondContact O-N 3.31Å; F2267-R2271 WeakPolarHBondContact O-CB 3.37Å; F2267-R2271 PolarHBondContact O-N 2.97Å; F2267-Y2297 HydrophobicContact CD2-CD1 4.36Å; F2267-Y2297 AromaticContact CD2-CE1 3.95Å; F2267-Y2297 HydrophobicContact CD2-CE1 3.97Å; F2267-Y2297 AromaticContact CE2-CE1 3.99Å; F2267-Y2297 HydrophobicContact CE2-CE1 4.01Å; F2267-A2300 HydrophobicContact CB-CB 4.04Å; F2267-F2307 HydrophobicContact CB-CD2 4.05Å; F2267-F2307 HydrophobicContact CB-CG 4.42Å; F2267-F2307 HydrophobicContact CD1-CB 4.09Å; F2267-F2307 AromaticContact CD1-CD1 3.71Å; F2267-F2307 HydrophobicContact CD1-CD1 3.71Å; F2267-F2307 AromaticContact CD1-CD2 3.74Å; F2267-F2307 HydrophobicContact CD1-CD2 3.74Å; F2267-F2307 AromaticContact CD1-CE1 3.99Å; F2267-F2307 HydrophobicContact CD1-CE1 4.05Å; F2267-F2307 AromaticContact CD1-CE2 3.97Å; F2267-F2307 HydrophobicContact CD1-CE2 4.09Å; F2267-F2307 AromaticContact CD1-CG 3.55Å; F2267-F2307 HydrophobicContact CD1-CG 3.55Å; F2267-F2307 HydrophobicContact CD1-CZ 4.23Å; F2267-F2307 HydrophobicContact CD2-CB 3.87Å; F2267-F2307 HydrophobicContact CD2-CG 4.24Å; F2267-F2307 HydrophobicContact CE1-CB 4.26Å; F2267-F2307 AromaticContact CE1-CD1 3.57Å; F2267-F2307 HydrophobicContact CE1-CD1 3.57Å; F2267-F2307 HydrophobicContact CE1-CD2 4.44Å; F2267-F2307 AromaticContact CE1-CE1 3.98Å; F2267-F2307 HydrophobicContact CE1-CE1 4Å; F2267-F2307 AromaticContact CE1-CG 3.83Å; F2267-F2307 HydrophobicContact CE1-CG 3.83Å; F2267-F2307 HydrophobicContact CE2-CB 4.03Å; F2267-F2307 HydrophobicContact CE2-CG 4.44Å; F2267-F2307 HydrophobicContact CG-CB 3.9Å; F2267-F2307 HydrophobicContact CG-CD1 4.38Å; F2267-F2307 AromaticContact CG-CD2 3.89Å; F2267-F2307 HydrophobicContact CG-CD2 3.89Å; F2267-F2307 HydrophobicContact CG-CE2 4.44Å; F2267-F2307 AromaticContact CG-CG 3.78Å; F2267-F2307 HydrophobicContact CG-CG 3.78Å; F2267-F2307 HydrophobicContact CZ-CB 4.24Å; F2267-F2307 HydrophobicContact CZ-CD1 4.14Å; F2267-F2307 HydrophobicContact CZ-CG 4.29Å; F2267-Q2310 HydrophobicContact CE2-CB 3.96Å; F2267-Q2310 HydrophobicContact CZ-CB 4.05Å; F2267-Q2310 VanDerWaalsContact CZ-OE1 3.28Å; F2267-S2311 WeakPolarHBondContact CD2-OG 3.33Å; F2267-S2311 WeakPolarHBondContact CE2-OG 3.41Å |
| 2268 | R | 85.5 | Confident | 82.2 | Confident | 32.6667 Ų | 32.6667 | 32.3 Ų | 32.3 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.3 | -42.6 | -179.1 | -69.5 | -102.6 | -177.4 | 178.1 | 0.7 | 112.1 | Y2252 E2264 A2265 H2266 A2270 R2271 Y2272 | Y2252-R2268 HydrophobicContact CE1-CB 3.8Å; E2264-R2268 HydrophobicContact CG-CG 4.14Å; E2264-R2268 WeakPolarHBondContact O-CB 3.19Å; E2264-R2268 VanDerWaalsContact O-CG 3.29Å; E2264-R2268 WeakPolarHBondContact O-CG 3.41Å; E2264-R2268 PolarHBondContact O-N 2.78Å; E2264-R2268 IonicContact OE1-CZ 3.33Å; E2264-R2268 IonicContact OE1-NE 3.08Å; E2264-R2268 PolarHBondContact OE1-NE 3.43Å; E2264-R2268 IonicContact OE1-NH2 3.38Å; E2264-R2268 PolarHBondContact OE1-NH2 2.96Å; A2265-R2268 PolarHBondContact O-N 3.22Å; H2266-R2268 PolarHBondContact O-N 3.27Å; R2268-A2270 VanDerWaalsContact C-N 3.32Å; R2268-A2270 PolarHBondContact O-N 3.09Å; R2268-R2271 PolarHBondContact O-N 3.32Å; R2268-Y2272 WeakPolarHBondContact O-CB 3.41Å; R2268-Y2272 PolarHBondContact O-N 2.96Å |
| 2269 | L | 87.7 | Confident | 82.4 | Confident | 2.33333 Ų | 2.33333 | 38.5 Ų | 38.5 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 173.3 | 174.5 | 55.9 | 0 | 0 | 0 | 110.9 | Y2252 E2253 A2265 H2266 R2271 Y2272 V2273 Q2296 | Y2252-L2269 HydrophobicContact CD1-CB 4.39Å; Y2252-L2269 HydrophobicContact CD2-CD1 4.43Å; Y2252-L2269 HydrophobicContact CG-CB 4.23Å; Y2252-L2269 HydrophobicContact CG-CD1 4.27Å; E2253-L2269 HydrophobicContact CG-CD2 4.36Å; A2265-L2269 WeakPolarHBondContact O-CB 3.26Å; A2265-L2269 PolarHBondContact O-N 3.12Å; H2266-L2269 PolarHBondContact O-N 3.18Å; L2269-R2271 VanDerWaalsContact C-N 3.33Å; L2269-R2271 PolarHBondContact O-N 3.05Å; L2269-Y2272 PolarHBondContact O-N 3.2Å; L2269-V2273 HydrophobicContact CD1-CG2 3.8Å; L2269-V2273 HydrophobicContact CG-CG2 4.47Å; L2269-V2273 WeakPolarHBondContact O-CB 3.17Å; L2269-V2273 VanDerWaalsContact O-CG2 3.28Å; L2269-V2273 WeakPolarHBondContact O-CG2 3.29Å; L2269-V2273 PolarHBondContact O-N 3.14Å; L2269-Q2296 HydrophobicContact CD2-CG 3.83Å; L2269-Q2296 HydrophobicContact CG-CG 4.01Å |
| 2270 | A | 88.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H2266 F2267 R2268 D2274 Q2296 Y2297 | H2266-A2270 WeakPolarHBondContact O-CB 3.31Å; H2266-A2270 PolarHBondContact O-N 3.06Å; F2267-A2270 WeakPolarHBondContact O-CB 3.44Å; F2267-A2270 PolarHBondContact O-N 3.31Å; R2268-A2270 VanDerWaalsContact C-N 3.32Å; R2268-A2270 PolarHBondContact O-N 3.09Å; A2270-D2274 VanDerWaalsContact O-CB 3.25Å; A2270-D2274 WeakPolarHBondContact O-CB 3.34Å; A2270-D2274 PolarHBondContact O-N 2.81Å; A2270-Q2296 HydrophobicContact CB-CB 3.66Å; A2270-Y2297 HydrophobicContact CB-CD1 3.53Å; A2270-Y2297 HydrophobicContact CB-CD2 3.72Å; A2270-Y2297 HydrophobicContact CB-CE1 3.62Å; A2270-Y2297 HydrophobicContact CB-CE2 3.81Å; A2270-Y2297 HydrophobicContact CB-CG 3.57Å |
| 2271 | R | 87.4 | Confident | 82.6 | Confident | 50.6667 Ų | 50.6667 | 38.4 Ų | 38.4 | 19% | 0.191 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 177.3 | -169.9 | -178.4 | 102.4 | 168.3 | 5 | 112.5 | E2238 F2267 R2268 L2269 D2274 R2275 Y2297 D2787 | E2238-R2271 IonicContact OE1-NH2 3.55Å; F2267-R2271 WeakPolarHBondContact O-CB 3.37Å; F2267-R2271 PolarHBondContact O-N 2.97Å; R2268-R2271 PolarHBondContact O-N 3.32Å; L2269-R2271 VanDerWaalsContact C-N 3.33Å; L2269-R2271 PolarHBondContact O-N 3.05Å; R2271-D2274 PolarHBondContact O-N 2.86Å; R2271-R2275 WeakPolarHBondContact O-CG 3.43Å; R2271-R2275 PolarHBondContact O-N 3.26Å; R2271-Y2297 WeakPolarHBondContact CA-OH 3.31Å; R2271-D2787 IonicContact NH2-OD2 3.98Å |
| 2272 | Y | 85.4 | Confident | 82.3 | Confident | 25.6667 Ų | 25.6667 | 40 Ų | 40 | 10% | 0.101 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -48.4 | 178.3 | -178.9 | -112.5 | 0 | 0 | 0 | 111.5 | E2238 F2245 T2248 Y2252 R2268 L2269 D2274 R2275 A2276 | E2238-Y2272 HydrophobicContact CB-CD2 4.42Å; E2238-Y2272 HydrophobicContact CB-CE2 4.45Å; E2238-Y2272 HydrophobicContact CG-CD2 3.64Å; E2238-Y2272 HydrophobicContact CG-CE2 3.83Å; F2245-Y2272 WeakPolarHBondContact CA-OH 3.38Å; F2245-Y2272 HydrophobicContact CD2-CD1 4.19Å; F2245-Y2272 AromaticContact CD2-CE1 3.34Å; F2245-Y2272 HydrophobicContact CD2-CE1 3.34Å; F2245-Y2272 HydrophobicContact CD2-CE2 4.44Å; F2245-Y2272 AromaticContact CD2-CZ 3.57Å; F2245-Y2272 VanDerWaalsContact CD2-CZ 3.49Å; F2245-Y2272 WeakPolarHBondContact CD2-OH 3.38Å; F2245-Y2272 AromaticContact CE2-CD1 3.76Å; F2245-Y2272 HydrophobicContact CE2-CD1 3.76Å; F2245-Y2272 AromaticContact CE2-CE1 3.37Å; F2245-Y2272 HydrophobicContact CE2-CE1 3.37Å; F2245-Y2272 AromaticContact CE2-CZ 3.88Å; F2245-Y2272 HydrophobicContact CG-CE1 4.32Å; F2245-Y2272 HydrophobicContact CZ-CE1 4.39Å; T2248-Y2272 WeakPolarHBondContact CB-OH 3.45Å; T2248-Y2272 HydrophobicContact CG2-CD1 4.38Å; T2248-Y2272 HydrophobicContact CG2-CE1 3.83Å; T2248-Y2272 HydrophobicContact CG2-CE2 4.19Å; Y2252-Y2272 HydrophobicContact CD2-CD1 4.33Å; Y2252-Y2272 HydrophobicContact CD2-CG 4.36Å; Y2252-Y2272 HydrophobicContact CE2-CD1 4.36Å; Y2252-Y2272 AromaticContact CE2-CG 3.99Å; Y2252-Y2272 HydrophobicContact CE2-CG 4.21Å; R2268-Y2272 WeakPolarHBondContact O-CB 3.41Å; R2268-Y2272 PolarHBondContact O-N 2.96Å; L2269-Y2272 PolarHBondContact O-N 3.2Å; Y2272-D2274 VanDerWaalsContact C-N 3.32Å; Y2272-D2274 PolarHBondContact O-N 2.99Å; Y2272-R2275 PolarHBondContact O-N 3.08Å; Y2272-A2276 PolarHBondContact O-N 2.98Å |
| 2273 | V | 86.6 | Confident | 81.8 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 177.3 | 174 | 0 | 0 | 0 | 0 | 111.4 | F2245 L2269 A2276 R2277 L2289 V2292 A2293 | F2245-V2273 HydrophobicContact CZ-CG2 4.33Å; L2269-V2273 HydrophobicContact CD1-CG2 3.8Å; L2269-V2273 HydrophobicContact CG-CG2 4.47Å; L2269-V2273 WeakPolarHBondContact O-CB 3.17Å; L2269-V2273 VanDerWaalsContact O-CG2 3.28Å; L2269-V2273 WeakPolarHBondContact O-CG2 3.29Å; L2269-V2273 PolarHBondContact O-N 3.14Å; V2273-A2276 PolarHBondContact O-N 3.29Å; V2273-R2277 WeakPolarHBondContact O-CB 3.45Å; V2273-R2277 PolarHBondContact O-N 3.18Å; V2273-L2289 HydrophobicContact CG1-CB 4Å; V2273-L2289 HydrophobicContact CG1-CD2 3.92Å; V2273-L2289 HydrophobicContact CG1-CG 4.49Å; V2273-L2289 VanDerWaalsContact CG1-O 3.3Å; V2273-L2289 WeakPolarHBondContact CG1-O 3.43Å; V2273-V2292 HydrophobicContact CG1-CB 4.1Å; V2273-V2292 HydrophobicContact CG1-CG1 4.18Å; V2273-V2292 HydrophobicContact CG2-CG1 4.05Å; V2273-A2293 HydrophobicContact CB-CB 4.47Å; V2273-A2293 HydrophobicContact CG1-CB 4.07Å |
| 2274 | D | 85.1 | Confident | 81.2 | Confident | 10.3333 Ų | 10.3333 | 48 Ų | 48 | 6% | 0.055 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.1 | -39 | 177.2 | -178.9 | 30.3 | 0 | 0 | 0 | 112.6 | A2270 R2271 Y2272 R2277 T2278 A2293 Y2297 R2314 L2318 | A2270-D2274 VanDerWaalsContact O-CB 3.25Å; A2270-D2274 WeakPolarHBondContact O-CB 3.34Å; A2270-D2274 PolarHBondContact O-N 2.81Å; R2271-D2274 PolarHBondContact O-N 2.86Å; Y2272-D2274 VanDerWaalsContact C-N 3.32Å; Y2272-D2274 PolarHBondContact O-N 2.99Å; D2274-R2277 WeakPolarHBondContact O-CB 3.4Å; D2274-R2277 PolarHBondContact O-N 2.96Å; D2274-R2277 IonicContact OD1-CZ 3.54Å; D2274-R2277 IonicContact OD1-NE 3.3Å; D2274-R2277 PolarHBondContact OD1-NE 3.28Å; D2274-R2277 IonicContact OD1-NH2 3.27Å; D2274-R2277 PolarHBondContact OD1-NH2 3.29Å; D2274-T2278 PolarHBondContact O-N 3.3Å; D2274-A2293 HydrophobicContact CB-CB 4.43Å; D2274-Y2297 HydrophobicContact CB-CE2 4.3Å; D2274-R2314 VanDerWaalsContact CG-NH2 3.31Å; D2274-R2314 IonicContact OD1-CZ 3.1Å; D2274-R2314 IonicContact OD1-NE 3.13Å; D2274-R2314 IonicContact OD1-NH2 3.38Å; D2274-R2314 PolarHBondContact OD1-NH2 3.05Å; D2274-R2314 IonicContact OD2-CZ 3.41Å; D2274-R2314 VanDerWaalsContact OD2-CZ 3.25Å; D2274-R2314 IonicContact OD2-NE 3.39Å; D2274-R2314 PolarHBondContact OD2-NE 3.15Å; D2274-R2314 IonicContact OD2-NH2 3.08Å; D2274-R2314 PolarHBondContact OD2-NH2 3.33Å; D2274-L2318 HydrophobicContact CB-CD1 4.5Å; D2274-L2318 WeakPolarHBondContact OD1-CD2 3.22Å |
| 2275 | R | 83.4 | Confident | 80.6 | Confident | 113.333 Ų | 113.333 | 52.2 Ų | 52.2 | 43% | 0.428 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 171.2 | -77.9 | 175.7 | 172.7 | -179.6 | -7.9 | 111.6 | E2238 R2271 Y2272 R2277 T2278 Q2279 | E2238-R2275 IonicContact OE1-NH1 3.29Å; E2238-R2275 PolarHBondContact OE1-NH1 3.42Å; R2271-R2275 WeakPolarHBondContact O-CG 3.43Å; R2271-R2275 PolarHBondContact O-N 3.26Å; Y2272-R2275 PolarHBondContact O-N 3.08Å; R2275-R2277 VanDerWaalsContact C-N 3.28Å; R2275-R2277 PolarHBondContact O-N 3.05Å; R2275-T2278 PolarHBondContact O-N 3.05Å; R2275-T2278 VanDerWaalsContact O-N 3.16Å; R2275-T2278 PolarHBondContact O-OG1 2.94Å; R2275-Q2279 PolarHBondContact O-N 3.23Å |
| 2276 | A | 83.1 | Confident | 80.2 | Confident | 14.3333 Ų | 14.3333 | 54.3 Ų | 54.3 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F2245 Y2272 V2273 T2278 Q2279 A2280 L2289 | F2245-A2276 HydrophobicContact CD2-CB 3.54Å; F2245-A2276 VanDerWaalsContact CD2-CB 3.47Å; F2245-A2276 HydrophobicContact CE2-CB 3.12Å; F2245-A2276 HydrophobicContact CG-CB 4.47Å; F2245-A2276 HydrophobicContact CZ-CB 3.77Å; Y2272-A2276 PolarHBondContact O-N 2.98Å; V2273-A2276 PolarHBondContact O-N 3.29Å; A2276-T2278 VanDerWaalsContact C-N 3.33Å; A2276-T2278 PolarHBondContact O-N 3.2Å; A2276-Q2279 CarbonylContact O-C 3.46Å; A2276-Q2279 WeakPolarHBondContact O-CB 3.4Å; A2276-Q2279 PolarHBondContact O-N 2.88Å; A2276-Q2279 VanDerWaalsContact O-N 3.09Å; A2276-A2280 WeakPolarHBondContact O-CB 3.4Å; A2276-A2280 PolarHBondContact O-N 2.92Å; A2276-L2289 HydrophobicContact CB-CD1 4.4Å |
| 2277 | R | 82.6 | Confident | 79.7 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 174.2 | -173.2 | -162.2 | 67.3 | 83.4 | -1.4 | 112 | V2273 D2274 R2275 Q2279 A2280 Q2286 L2289 L2318 | V2273-R2277 WeakPolarHBondContact O-CB 3.45Å; V2273-R2277 PolarHBondContact O-N 3.18Å; D2274-R2277 WeakPolarHBondContact O-CB 3.4Å; D2274-R2277 PolarHBondContact O-N 2.96Å; D2274-R2277 IonicContact OD1-CZ 3.54Å; D2274-R2277 IonicContact OD1-NE 3.3Å; D2274-R2277 PolarHBondContact OD1-NE 3.28Å; D2274-R2277 IonicContact OD1-NH2 3.27Å; D2274-R2277 PolarHBondContact OD1-NH2 3.29Å; R2275-R2277 VanDerWaalsContact C-N 3.28Å; R2275-R2277 PolarHBondContact O-N 3.05Å; R2277-Q2279 PolarHBondContact O-N 3.22Å; R2277-A2280 PolarHBondContact O-N 3.32Å; R2277-A2280 VanDerWaalsContact O-N 3.13Å; R2277-Q2286 HydrophobicContact CG-CB 4.35Å; R2277-Q2286 HydrophobicContact CG-CG 4.13Å; R2277-L2289 HydrophobicContact CB-CB 4.08Å; R2277-L2289 HydrophobicContact CB-CD1 4.35Å; R2277-L2289 HydrophobicContact CG-CB 4.33Å; R2277-L2318 VanDerWaalsContact NH2-CD2 3.31Å |
| 2278 | T | 79.5 | Confident | 79.4 | Confident | 78.3333 Ų | 78.3333 | 57.4 Ų | 57.4 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.7 | -21.4 | 177 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | D2274 R2275 A2276 V2281 | D2274-T2278 PolarHBondContact O-N 3.3Å; R2275-T2278 PolarHBondContact O-N 3.05Å; R2275-T2278 VanDerWaalsContact O-N 3.16Å; R2275-T2278 PolarHBondContact O-OG1 2.94Å; A2276-T2278 VanDerWaalsContact C-N 3.33Å; A2276-T2278 PolarHBondContact O-N 3.2Å; T2278-V2281 WeakPolarHBondContact O-CG2 3.17Å |
| 2279 | Q | 78.9 | Confident | 79.3 | Confident | 166.333 Ų | 166.333 | 57 Ų | 57 | 78% | 0.777 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -91.4 | -20.3 | 175.5 | -64.3 | 175.1 | -11.3 | 0 | 0 | 112.7 | R2275 A2276 R2277 | R2275-Q2279 PolarHBondContact O-N 3.23Å; A2276-Q2279 CarbonylContact O-C 3.46Å; A2276-Q2279 WeakPolarHBondContact O-CB 3.4Å; A2276-Q2279 PolarHBondContact O-N 2.88Å; A2276-Q2279 VanDerWaalsContact O-N 3.09Å; R2277-Q2279 PolarHBondContact O-N 3.22Å |
| 2280 | A | 75.9 | Confident | 79.2 | Confident | 18.3333 Ų | 18.3333 | 57 Ų | 57 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -87.9 | 52.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A2276 R2277 G2282 C2283 Q2286 L2289 | A2276-A2280 WeakPolarHBondContact O-CB 3.4Å; A2276-A2280 PolarHBondContact O-N 2.92Å; R2277-A2280 PolarHBondContact O-N 3.32Å; R2277-A2280 VanDerWaalsContact O-N 3.13Å; A2280-G2282 PolarHBondContact O-N 2.87Å; A2280-C2283 WeakPolarHBondContact O-CB 3.46Å; A2280-C2283 PolarHBondContact O-N 3.37Å; A2280-C2283 VanDerWaalsContact O-N 3.1Å; A2280-Q2286 HydrophobicContact CB-CG 4.11Å; A2280-Q2286 PolarHBondContact O-NE2 3.28Å; A2280-L2289 HydrophobicContact CB-CD1 4.16Å |
| 2281 | V | 68.4 | Low | 79.1 | Confident | 115.667 Ų | 115.667 | 59.4 Ų | 59.4 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 116.5 | -179.1 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | T2278 | T2278-V2281 WeakPolarHBondContact O-CG2 3.17Š|
| 2282 | G | 66.2 | Low | 79.1 | Confident | 63.3333 Ų | 63.3333 | 59.3 Ų | 59.3 | 65% | 0.653 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.7 | 21.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A2280 K2284 Q2285 Q2286 | A2280-G2282 PolarHBondContact O-N 2.87Å; G2282-K2284 PolarHBondContact O-N 3.28Å; G2282-Q2285 PolarHBondContact O-N 2.71Å; G2282-Q2286 WeakPolarHBondContact O-CG 3.41Å; G2282-Q2286 PolarHBondContact O-N 3.3Å |
| 2283 | C | 66 | Low | 79.3 | Confident | 55.6667 Ų | 55.6667 | 58.1 Ų | 58.1 | 38% | 0.376 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -82.4 | 159.8 | 179.4 | -172 | 0 | 0 | 0 | 0 | 112.2 | A2280 Q2285 Q2286 N2287 E2348 | A2280-C2283 WeakPolarHBondContact O-CB 3.46Å; A2280-C2283 PolarHBondContact O-N 3.37Å; A2280-C2283 VanDerWaalsContact O-N 3.1Å; C2283-Q2285 HydrophobicContact CB-CB 4.47Å; C2283-Q2285 PolarHBondContact O-N 3.31Å; C2283-Q2286 WeakPolarHBondContact O-CB 3.43Å; C2283-Q2286 PolarHBondContact O-N 3.25Å; C2283-N2287 VanDerWaalsContact O-CB 3.3Å; C2283-N2287 WeakPolarHBondContact O-CB 3.33Å; C2283-N2287 PolarHBondContact O-N 3.42Å; C2283-N2287 PolarHBondContact O-ND2 3.03Å; C2283-N2287 PolarHBondContact SG-ND2 3.06Å; C2283-N2287 VanDerWaalsContact SG-ND2 3.41Å; C2283-E2348 PolarHBondContact SG-OE1 3.07Å |
| 2284 | K | 69.6 | Low | 79.5 | Confident | 166.333 Ų | 166.333 | 57.9 Ų | 57.9 | 72% | 0.723 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.1 | 176 | -70.6 | -174.1 | 177.3 | -176.9 | 0 | 113.2 | G2282 Q2286 N2287 A2288 | G2282-K2284 PolarHBondContact O-N 3.28Å; K2284-Q2286 VanDerWaalsContact C-N 3.26Å; K2284-Q2286 PolarHBondContact O-N 3.14Å; K2284-N2287 PolarHBondContact O-N 3.01Å; K2284-A2288 PolarHBondContact O-N 3.37Å; K2284-A2288 VanDerWaalsContact O-N 3.16Å |
| 2285 | Q | 72 | Confident | 79.7 | Confident | 126.333 Ų | 126.333 | 61.8 Ų | 61.8 | 59% | 0.59 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.6 | -31.4 | 176.8 | -69.8 | 178 | -12.9 | 0 | 0 | 112.5 | G2282 C2283 N2287 A2288 L2289 | G2282-Q2285 PolarHBondContact O-N 2.71Å; C2283-Q2285 HydrophobicContact CB-CB 4.47Å; C2283-Q2285 PolarHBondContact O-N 3.31Å; Q2285-N2287 VanDerWaalsContact C-N 3.3Å; Q2285-N2287 PolarHBondContact O-N 3.09Å; Q2285-A2288 PolarHBondContact O-N 3.02Å; Q2285-A2288 VanDerWaalsContact O-N 3.1Å; Q2285-L2289 VanDerWaalsContact O-CG 3.3Å; Q2285-L2289 WeakPolarHBondContact O-CG 3.43Å; Q2285-L2289 PolarHBondContact O-N 3.16Å |
| 2286 | Q | 75.8 | Confident | 80.1 | Confident | 43.3333 Ų | 43.3333 | 57.4 Ų | 57.4 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.4 | -40.9 | 177.1 | -147.7 | 177 | -9.1 | 0 | 0 | 112.1 | R2277 A2280 G2282 C2283 K2284 A2288 L2289 I2290 | R2277-Q2286 HydrophobicContact CG-CB 4.35Å; R2277-Q2286 HydrophobicContact CG-CG 4.13Å; A2280-Q2286 HydrophobicContact CB-CG 4.11Å; A2280-Q2286 PolarHBondContact O-NE2 3.28Å; G2282-Q2286 WeakPolarHBondContact O-CG 3.41Å; G2282-Q2286 PolarHBondContact O-N 3.3Å; C2283-Q2286 WeakPolarHBondContact O-CB 3.43Å; C2283-Q2286 PolarHBondContact O-N 3.25Å; K2284-Q2286 VanDerWaalsContact C-N 3.26Å; K2284-Q2286 PolarHBondContact O-N 3.14Å; Q2286-A2288 PolarHBondContact O-N 3.26Å; Q2286-L2289 PolarHBondContact O-N 3.2Å; Q2286-I2290 WeakPolarHBondContact O-CB 3.43Å; Q2286-I2290 PolarHBondContact O-N 3.03Å |
| 2287 | N | 77.9 | Confident | 80.4 | Confident | 27.3333 Ų | 27.3333 | 57.1 Ų | 57.1 | 15% | 0.146 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.7 | -31.9 | 179.1 | -78.2 | -11.7 | 0 | 0 | 0 | 113.4 | C2283 K2284 Q2285 I2290 K2291 Y2322 V2351 | C2283-N2287 VanDerWaalsContact O-CB 3.3Å; C2283-N2287 WeakPolarHBondContact O-CB 3.33Å; C2283-N2287 PolarHBondContact O-N 3.42Å; C2283-N2287 PolarHBondContact O-ND2 3.03Å; C2283-N2287 PolarHBondContact SG-ND2 3.06Å; C2283-N2287 VanDerWaalsContact SG-ND2 3.41Å; K2284-N2287 PolarHBondContact O-N 3.01Å; Q2285-N2287 VanDerWaalsContact C-N 3.3Å; Q2285-N2287 PolarHBondContact O-N 3.09Å; N2287-I2290 WeakPolarHBondContact O-CG2 3.28Å; N2287-K2291 WeakPolarHBondContact O-CE 3.37Å; N2287-Y2322 WeakPolarHBondContact OD1-CE2 3.36Å; N2287-Y2322 PolarHBondContact OD1-OH 3.46Å; N2287-V2351 HydrophobicContact CB-CG1 3.86Å; N2287-V2351 HydrophobicContact CB-CG2 4.44Å |
| 2288 | A | 81.4 | Confident | 80.8 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 45% | 0.446 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | K2284 Q2285 Q2286 I2290 K2291 V2292 | K2284-A2288 PolarHBondContact O-N 3.37Å; K2284-A2288 VanDerWaalsContact O-N 3.16Å; Q2285-A2288 PolarHBondContact O-N 3.02Å; Q2285-A2288 VanDerWaalsContact O-N 3.1Å; Q2286-A2288 PolarHBondContact O-N 3.26Å; A2288-I2290 PolarHBondContact O-N 3.24Å; A2288-K2291 PolarHBondContact O-N 3.27Å; A2288-V2292 PolarHBondContact O-N 3.12Å |
| 2289 | L | 83.7 | Confident | 81.2 | Confident | 23.6667 Ų | 23.6667 | 52.5 Ų | 52.5 | 12% | 0.124 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -37.4 | -177.7 | -65.6 | 171.9 | 0 | 0 | 0 | 112.4 | F2245 V2273 A2276 R2277 A2280 Q2285 Q2286 K2291 V2292 A2293 | F2245-L2289 HydrophobicContact CE1-CD2 3.66Å; F2245-L2289 HydrophobicContact CE2-CD2 4.45Å; F2245-L2289 HydrophobicContact CZ-CD2 3.54Å; F2245-L2289 VanDerWaalsContact CZ-CD2 3.47Å; V2273-L2289 HydrophobicContact CG1-CB 4Å; V2273-L2289 HydrophobicContact CG1-CD2 3.92Å; V2273-L2289 HydrophobicContact CG1-CG 4.49Å; V2273-L2289 VanDerWaalsContact CG1-O 3.3Å; V2273-L2289 WeakPolarHBondContact CG1-O 3.43Å; A2276-L2289 HydrophobicContact CB-CD1 4.4Å; R2277-L2289 HydrophobicContact CB-CB 4.08Å; R2277-L2289 HydrophobicContact CB-CD1 4.35Å; R2277-L2289 HydrophobicContact CG-CB 4.33Å; A2280-L2289 HydrophobicContact CB-CD1 4.16Å; Q2285-L2289 VanDerWaalsContact O-CG 3.3Å; Q2285-L2289 WeakPolarHBondContact O-CG 3.43Å; Q2285-L2289 PolarHBondContact O-N 3.16Å; Q2286-L2289 PolarHBondContact O-N 3.2Å; L2289-K2291 VanDerWaalsContact C-N 3.34Å; L2289-K2291 PolarHBondContact O-N 3.07Å; L2289-V2292 PolarHBondContact O-N 3.29Å; L2289-A2293 WeakPolarHBondContact O-CB 3.44Å; L2289-A2293 PolarHBondContact O-N 3.11Å |
| 2290 | I | 85.4 | Confident | 81.7 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 178.2 | -163.7 | 172.7 | 0 | 0 | 0 | 112.2 | Q2286 N2287 A2288 V2292 A2293 L2294 Y2322 V2355 | Q2286-I2290 WeakPolarHBondContact O-CB 3.43Å; Q2286-I2290 PolarHBondContact O-N 3.03Å; N2287-I2290 WeakPolarHBondContact O-CG2 3.28Å; A2288-I2290 PolarHBondContact O-N 3.24Å; I2290-V2292 PolarHBondContact O-N 3.12Å; I2290-A2293 PolarHBondContact O-N 3.43Å; I2290-L2294 HydrophobicContact CG1-CD1 4.19Å; I2290-L2294 HydrophobicContact CG1-CG 4.31Å; I2290-L2294 WeakPolarHBondContact O-CB 3.41Å; I2290-L2294 VanDerWaalsContact O-CG 3.3Å; I2290-L2294 WeakPolarHBondContact O-CG 3.45Å; I2290-L2294 PolarHBondContact O-N 3.24Å; I2290-Y2322 VanDerWaalsContact CD1-CB 3.45Å; I2290-Y2322 HydrophobicContact CD1-CD1 4.23Å; I2290-Y2322 HydrophobicContact CD1-CD2 3.44Å; I2290-Y2322 VanDerWaalsContact CD1-CD2 3.4Å; I2290-Y2322 HydrophobicContact CD1-CE2 4.22Å; I2290-Y2322 HydrophobicContact CD1-CG 3.49Å; I2290-Y2322 VanDerWaalsContact CD1-CG 3.46Å; I2290-Y2322 HydrophobicContact CG2-CD2 4.48Å; I2290-Y2322 HydrophobicContact CG2-CE2 4.28Å; I2290-V2355 HydrophobicContact CG2-CG2 4.4Å |
| 2291 | K | 86.9 | Confident | 82.3 | Confident | 50.3333 Ų | 50.3333 | 43.7 Ų | 43.7 | 22% | 0.219 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -47.8 | 176.6 | -71.4 | -176.6 | -100.2 | 175.1 | 0 | 110.8 | N2287 A2288 L2289 A2293 L2294 Q2295 V2351 E2354 V2355 L2358 | N2287-K2291 WeakPolarHBondContact O-CE 3.37Å; A2288-K2291 PolarHBondContact O-N 3.27Å; L2289-K2291 VanDerWaalsContact C-N 3.34Å; L2289-K2291 PolarHBondContact O-N 3.07Å; K2291-A2293 PolarHBondContact O-N 3.4Å; K2291-L2294 PolarHBondContact O-N 3.33Å; K2291-Q2295 WeakPolarHBondContact O-CB 3.39Å; K2291-Q2295 PolarHBondContact O-N 2.98Å; K2291-V2351 HydrophobicContact CD-CG1 4.38Å; K2291-V2351 VanDerWaalsContact CE-CG1 3.46Å; K2291-E2354 HydrophobicContact CD-CB 4.27Å; K2291-E2354 WeakPolarHBondContact CD-OE2 3.43Å; K2291-E2354 WeakPolarHBondContact CE-OE2 3.3Å; K2291-E2354 IonicContact NZ-OE1 2.76Å; K2291-E2354 IonicContact NZ-OE2 3.27Å; K2291-E2354 PolarHBondContact NZ-OE2 2.92Å; K2291-V2355 HydrophobicContact CG-CG2 3.8Å; K2291-L2358 HydrophobicContact CB-CD1 4.32Å; K2291-L2358 HydrophobicContact CG-CD1 4.28Å; K2291-L2358 VanDerWaalsContact O-CD1 3.32Å; K2291-L2358 WeakPolarHBondContact O-CD1 3.44Å |
| 2292 | V | 87.2 | Confident | 83.1 | Confident | 47.3333 Ų | 47.3333 | 39.3 Ų | 39.3 | 29% | 0.287 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | V2273 A2288 L2289 I2290 L2294 Q2295 Q2296 | V2273-V2292 HydrophobicContact CG1-CB 4.1Å; V2273-V2292 HydrophobicContact CG1-CG1 4.18Å; V2273-V2292 HydrophobicContact CG2-CG1 4.05Å; A2288-V2292 PolarHBondContact O-N 3.12Å; L2289-V2292 PolarHBondContact O-N 3.29Å; I2290-V2292 PolarHBondContact O-N 3.12Å; V2292-L2294 PolarHBondContact O-N 3.16Å; V2292-Q2295 PolarHBondContact O-N 2.94Å; V2292-Q2296 HydrophobicContact CG1-CG 4.11Å; V2292-Q2296 WeakPolarHBondContact O-CB 3.38Å; V2292-Q2296 VanDerWaalsContact O-CG 3.25Å; V2292-Q2296 WeakPolarHBondContact O-CG 3.43Å; V2292-Q2296 PolarHBondContact O-N 3.14Å |
| 2293 | A | 89.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.5 | -47 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V2273 D2274 L2289 I2290 K2291 Q2295 Q2296 Y2297 L2318 | V2273-A2293 HydrophobicContact CB-CB 4.47Å; V2273-A2293 HydrophobicContact CG1-CB 4.07Å; D2274-A2293 HydrophobicContact CB-CB 4.43Å; L2289-A2293 WeakPolarHBondContact O-CB 3.44Å; L2289-A2293 PolarHBondContact O-N 3.11Å; I2290-A2293 PolarHBondContact O-N 3.43Å; K2291-A2293 PolarHBondContact O-N 3.4Å; A2293-Q2295 PolarHBondContact O-N 2.99Å; A2293-Q2296 PolarHBondContact O-N 3.22Å; A2293-Y2297 WeakPolarHBondContact O-CB 3.35Å; A2293-Y2297 WeakPolarHBondContact O-CD2 3.41Å; A2293-Y2297 PolarHBondContact O-N 2.9Å; A2293-L2318 HydrophobicContact CB-CD1 4.43Å |
| 2294 | L | 90.4 | Very high | 84.5 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 178.6 | -69 | 174.9 | 0 | 0 | 0 | 112.1 | I2290 K2291 V2292 G2298 L2315 L2318 W2319 V2355 L2358 N2362 | I2290-L2294 HydrophobicContact CG1-CD1 4.19Å; I2290-L2294 HydrophobicContact CG1-CG 4.31Å; I2290-L2294 WeakPolarHBondContact O-CB 3.41Å; I2290-L2294 VanDerWaalsContact O-CG 3.3Å; I2290-L2294 WeakPolarHBondContact O-CG 3.45Å; I2290-L2294 PolarHBondContact O-N 3.24Å; K2291-L2294 PolarHBondContact O-N 3.33Å; V2292-L2294 PolarHBondContact O-N 3.16Å; L2294-G2298 PolarHBondContact O-N 3.16Å; L2294-L2315 HydrophobicContact CB-CD1 4.33Å; L2294-L2315 HydrophobicContact CD2-CD1 3.65Å; L2294-L2315 HydrophobicContact CD2-CG 4.45Å; L2294-L2315 WeakPolarHBondContact O-CD1 3.39Å; L2294-L2318 HydrophobicContact CD2-CB 3.9Å; L2294-W2319 HydrophobicContact CD2-CB 4.23Å; L2294-V2355 HydrophobicContact CD1-CG1 3.62Å; L2294-L2358 HydrophobicContact CB-CD1 4.42Å; L2294-L2358 HydrophobicContact CB-CD2 3.53Å; L2294-L2358 VanDerWaalsContact CB-CD2 3.41Å; L2294-L2358 HydrophobicContact CD1-CD2 4.46Å; L2294-N2362 PolarHBondContact O-ND2 3.21Å |
| 2295 | Q | 91 | Very high | 84.9 | Confident | 92.3333 Ų | 92.3333 | 29.6 Ų | 29.6 | 43% | 0.431 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.3 | -47 | 176.6 | -171 | 178 | -4.9 | 0 | 0 | 110.8 | K2291 V2292 A2293 G2298 L2299 L2358 | K2291-Q2295 WeakPolarHBondContact O-CB 3.39Å; K2291-Q2295 PolarHBondContact O-N 2.98Å; V2292-Q2295 PolarHBondContact O-N 2.94Å; A2293-Q2295 PolarHBondContact O-N 2.99Å; Q2295-G2298 PolarHBondContact O-N 3.16Å; Q2295-L2299 HydrophobicContact CG-CD1 4.14Å; Q2295-L2299 WeakPolarHBondContact O-CD1 3.17Å; Q2295-L2299 VanDerWaalsContact O-CG 3.24Å; Q2295-L2299 WeakPolarHBondContact O-CG 3.3Å; Q2295-L2299 PolarHBondContact O-N 3.17Å; Q2295-L2358 HydrophobicContact CB-CD1 4.05Å |
| 2296 | Q | 90 | Very high | 85.2 | Confident | 22 Ų | 22 | 27.4 Ų | 27.4 | 10% | 0.103 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.9 | -38.4 | -175.3 | -62 | -59.9 | -25.8 | 0 | 0 | 112.5 | H2266 L2269 A2270 V2292 A2293 G2298 L2299 A2300 | H2266-Q2296 PolarHBondContact ND1-OE1 3.07Å; L2269-Q2296 HydrophobicContact CD2-CG 3.83Å; L2269-Q2296 HydrophobicContact CG-CG 4.01Å; A2270-Q2296 HydrophobicContact CB-CB 3.66Å; V2292-Q2296 HydrophobicContact CG1-CG 4.11Å; V2292-Q2296 WeakPolarHBondContact O-CB 3.38Å; V2292-Q2296 VanDerWaalsContact O-CG 3.25Å; V2292-Q2296 WeakPolarHBondContact O-CG 3.43Å; V2292-Q2296 PolarHBondContact O-N 3.14Å; A2293-Q2296 PolarHBondContact O-N 3.22Å; Q2296-G2298 VanDerWaalsContact C-N 3.3Å; Q2296-G2298 PolarHBondContact O-N 3Å; Q2296-L2299 PolarHBondContact O-N 2.92Å; Q2296-A2300 WeakPolarHBondContact O-CB 3.3Å; Q2296-A2300 PolarHBondContact O-N 3.22Å |
| 2297 | Y | 91.3 | Very high | 85.4 | Confident | 7 Ų | 7 | 26.6 Ų | 26.6 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 170.1 | -80.4 | -55.7 | 0 | 0 | 0 | 111.6 | F2267 A2270 R2271 D2274 A2293 A2300 L2301 R2314 L2318 | F2267-Y2297 HydrophobicContact CD2-CD1 4.36Å; F2267-Y2297 AromaticContact CD2-CE1 3.95Å; F2267-Y2297 HydrophobicContact CD2-CE1 3.97Å; F2267-Y2297 AromaticContact CE2-CE1 3.99Å; F2267-Y2297 HydrophobicContact CE2-CE1 4.01Å; A2270-Y2297 HydrophobicContact CB-CD1 3.53Å; A2270-Y2297 HydrophobicContact CB-CD2 3.72Å; A2270-Y2297 HydrophobicContact CB-CE1 3.62Å; A2270-Y2297 HydrophobicContact CB-CE2 3.81Å; A2270-Y2297 HydrophobicContact CB-CG 3.57Å; R2271-Y2297 WeakPolarHBondContact CA-OH 3.31Å; D2274-Y2297 HydrophobicContact CB-CE2 4.3Å; A2293-Y2297 WeakPolarHBondContact O-CB 3.35Å; A2293-Y2297 WeakPolarHBondContact O-CD2 3.41Å; A2293-Y2297 PolarHBondContact O-N 2.9Å; Y2297-A2300 PolarHBondContact O-N 3.1Å; Y2297-L2301 WeakPolarHBondContact O-CD1 3.41Å; Y2297-L2301 WeakPolarHBondContact O-CG 3.32Å; Y2297-L2301 PolarHBondContact O-N 2.95Å; Y2297-L2301 VanDerWaalsContact O-N 3.09Å; Y2297-R2314 HydrophobicContact CE2-CG 4Å; Y2297-L2318 HydrophobicContact CD2-CD1 4.13Å; Y2297-L2318 HydrophobicContact CE2-CD1 3.82Å |
| 2298 | G | 90 | Very high | 85.6 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L2294 Q2295 Q2296 S2302 | L2294-G2298 PolarHBondContact O-N 3.16Å; Q2295-G2298 PolarHBondContact O-N 3.16Å; Q2296-G2298 VanDerWaalsContact C-N 3.3Å; Q2296-G2298 PolarHBondContact O-N 3Å; G2298-S2302 PolarHBondContact O-N 3.1Å; G2298-S2302 VanDerWaalsContact O-N 3.13Å |
| 2299 | L | 88.7 | Confident | 85.6 | Confident | 18.6667 Ų | 18.6667 | 24.6 Ų | 24.6 | 10% | 0.098 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.2 | -48 | 172.7 | -75.2 | 162.3 | 0 | 0 | 0 | 111.4 | H2266 Q2295 Q2296 L2301 S2302 Y2303 R2365 | H2266-L2299 HydrophobicContact CB-CB 4.17Å; Q2295-L2299 HydrophobicContact CG-CD1 4.14Å; Q2295-L2299 WeakPolarHBondContact O-CD1 3.17Å; Q2295-L2299 VanDerWaalsContact O-CG 3.24Å; Q2295-L2299 WeakPolarHBondContact O-CG 3.3Å; Q2295-L2299 PolarHBondContact O-N 3.17Å; Q2296-L2299 PolarHBondContact O-N 2.92Å; L2299-L2301 VanDerWaalsContact C-N 3.33Å; L2299-L2301 PolarHBondContact O-N 3.16Å; L2299-S2302 WeakPolarHBondContact CA-OG 3.38Å; L2299-S2302 WeakPolarHBondContact O-CB 3.29Å; L2299-S2302 PolarHBondContact O-N 3.45Å; L2299-S2302 VanDerWaalsContact O-N 3.12Å; L2299-S2302 PolarHBondContact O-OG 3.09Å; L2299-Y2303 HydrophobicContact CB-CE2 4.22Å; L2299-Y2303 HydrophobicContact CD2-CE2 4.15Å; L2299-Y2303 WeakPolarHBondContact O-CD2 3.3Å; L2299-Y2303 PolarHBondContact O-N 3.21Å; L2299-R2365 VanDerWaalsContact CD2-CZ 3.41Å; L2299-R2365 VanDerWaalsContact CD2-NH2 3.29Å |
| 2300 | A | 88.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.9 | -50.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E2263 H2266 F2267 Q2296 Y2297 S2302 Y2303 G2304 | E2263-A2300 HydrophobicContact CG-CB 4.43Å; H2266-A2300 HydrophobicContact CB-CB 3.85Å; F2267-A2300 HydrophobicContact CB-CB 4.04Å; Q2296-A2300 WeakPolarHBondContact O-CB 3.3Å; Q2296-A2300 PolarHBondContact O-N 3.22Å; Y2297-A2300 PolarHBondContact O-N 3.1Å; A2300-S2302 VanDerWaalsContact C-N 3.28Å; A2300-S2302 PolarHBondContact O-N 3.17Å; A2300-Y2303 PolarHBondContact O-N 3.27Å; A2300-Y2303 VanDerWaalsContact O-N 3.09Å; A2300-G2304 PolarHBondContact O-N 2.91Å; A2300-G2304 VanDerWaalsContact O-N 3.15Å |
| 2301 | L | 87.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.7 | -27.6 | 178.8 | -71.7 | 163.6 | 0 | 0 | 0 | 113.1 | Y2297 L2299 Y2303 G2304 I2308 M2312 L2315 I2366 Q2370 | Y2297-L2301 WeakPolarHBondContact O-CD1 3.41Å; Y2297-L2301 WeakPolarHBondContact O-CG 3.32Å; Y2297-L2301 PolarHBondContact O-N 2.95Å; Y2297-L2301 VanDerWaalsContact O-N 3.09Å; L2299-L2301 VanDerWaalsContact C-N 3.33Å; L2299-L2301 PolarHBondContact O-N 3.16Å; L2301-Y2303 VanDerWaalsContact C-N 3.34Å; L2301-G2304 VanDerWaalsContact O-O 3.11Å; L2301-I2308 HydrophobicContact CD2-CB 4.49Å; L2301-I2308 HydrophobicContact CD2-CG1 4.24Å; L2301-M2312 HydrophobicContact CD1-CB 4.33Å; L2301-M2312 HydrophobicContact CD1-CE 3.91Å; L2301-M2312 HydrophobicContact CD1-SD 4.08Å; L2301-M2312 HydrophobicContact CD2-CB 4.11Å; L2301-M2312 HydrophobicContact CD2-CE 4.1Å; L2301-L2315 HydrophobicContact CD1-CB 4.45Å; L2301-L2315 HydrophobicContact CD1-CD2 3.84Å; L2301-I2366 HydrophobicContact CB-CD1 3.88Å; L2301-I2366 HydrophobicContact CB-CG1 3.86Å; L2301-I2366 HydrophobicContact CB-CG2 4.15Å; L2301-I2366 HydrophobicContact CD1-CD1 3.95Å; L2301-Q2370 VanDerWaalsContact CD2-OE1 3.29Å; L2301-Q2370 VanDerWaalsContact O-CD 3.28Å; L2301-Q2370 PolarHBondContact O-NE2 2.9Å; L2301-Q2370 PolarHBondContact O-OE1 3.2Å |
| 2302 | S | 86.3 | Confident | 85.8 | Confident | 23.6667 Ų | 23.6667 | 23.6 Ų | 23.6 | 17% | 0.166 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -74.3 | -26.8 | 176 | 74.7 | 0 | 0 | 0 | 0 | 113.9 | G2298 L2299 A2300 R2365 | G2298-S2302 PolarHBondContact O-N 3.1Å; G2298-S2302 VanDerWaalsContact O-N 3.13Å; L2299-S2302 WeakPolarHBondContact CA-OG 3.38Å; L2299-S2302 WeakPolarHBondContact O-CB 3.29Å; L2299-S2302 PolarHBondContact O-N 3.45Å; L2299-S2302 VanDerWaalsContact O-N 3.12Å; L2299-S2302 PolarHBondContact O-OG 3.09Å; A2300-S2302 VanDerWaalsContact C-N 3.28Å; A2300-S2302 PolarHBondContact O-N 3.17Å; S2302-R2365 PolarHBondContact OG-NE 3.24Å; S2302-R2365 PolarHBondContact OG-NH2 3.44Å |
| 2303 | Y | 82.3 | Confident | 85.7 | Confident | 65.3333 Ų | 65.3333 | 22 Ų | 22 | 26% | 0.256 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -94.5 | -19.6 | -177.1 | -63.9 | -50.9 | 0 | 0 | 0 | 113.4 | S2260 G2261 H2266 L2299 A2300 L2301 R2365 I2516 | S2260-Y2303 WeakPolarHBondContact O-CE2 3.3Å; S2260-Y2303 PolarHBondContact O-OH 3.42Å; G2261-Y2303 WeakPolarHBondContact O-CB 3.22Å; H2266-Y2303 AromaticContact CD2-CD2 3.67Å; H2266-Y2303 AromaticContact CD2-CE2 3.6Å; H2266-Y2303 AromaticContact NE2-CD2 3.94Å; H2266-Y2303 AromaticContact NE2-CE2 3.51Å; H2266-Y2303 WeakPolarHBondContact NE2-CE2 3.21Å; L2299-Y2303 HydrophobicContact CB-CE2 4.22Å; L2299-Y2303 HydrophobicContact CD2-CE2 4.15Å; L2299-Y2303 WeakPolarHBondContact O-CD2 3.3Å; L2299-Y2303 PolarHBondContact O-N 3.21Å; A2300-Y2303 PolarHBondContact O-N 3.27Å; A2300-Y2303 VanDerWaalsContact O-N 3.09Å; L2301-Y2303 VanDerWaalsContact C-N 3.34Å; Y2303-R2365 VanDerWaalsContact CE2-NH2 3.29Å; Y2303-R2365 PolarHBondContact OH-NH2 3.45Å; Y2303-R2365 VanDerWaalsContact OH-NH2 3.1Å; Y2303-I2516 WeakPolarHBondContact O-CD1 3.44Å |
| 2304 | G | 78.3 | Confident | 85.6 | Confident | 7.66667 Ų | 7.66667 | 25.1 Ų | 25.1 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | trans | -173.3 | -176.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E2263 A2300 L2301 Q2370 | E2263-G2304 VanDerWaalsContact CD-C 3.46Å; E2263-G2304 WeakPolarHBondContact OE2-CA 3.28Å; A2300-G2304 PolarHBondContact O-N 2.91Å; A2300-G2304 VanDerWaalsContact O-N 3.15Å; L2301-G2304 VanDerWaalsContact O-O 3.11Å; G2304-Q2370 PolarHBondContact O-NE2 3.16Å; G2304-Q2370 VanDerWaalsContact O-NE2 3.07Å | ||
| 2305 | S | 78.7 | Confident | 85.6 | Confident | 8 Ų | 8 | 25.1 Ų | 25.1 | 6% | 0.056 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -130.4 | 11.8 | -175.1 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | E2263 F2307 I2308 K2586 | E2263-S2305 PolarHBondContact OE2-N 3.17Å; S2305-F2307 VanDerWaalsContact C-N 3.32Å; S2305-F2307 PolarHBondContact O-N 3.08Å; S2305-I2308 WeakPolarHBondContact O-CB 3.33Å; S2305-I2308 VanDerWaalsContact O-CG2 3.29Å; S2305-I2308 WeakPolarHBondContact O-CG2 3.32Å; S2305-I2308 PolarHBondContact O-N 3.28Å; S2305-K2586 PolarHBondContact O-NZ 2.99Å; S2305-K2586 VanDerWaalsContact O-NZ 3.15Å |
| 2306 | Q | 77.7 | Confident | 85.5 | Confident | 81.3333 Ų | 81.3333 | 20.8 Ų | 20.8 | 38% | 0.38 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -42.1 | -179.9 | -174.3 | 178.9 | 3.4 | 0 | 0 | 111.5 | E2263 | E2263-Q2306 WeakPolarHBondContact OE1-CA 3.21Å; E2263-Q2306 WeakPolarHBondContact OE1-CB 3.44Å; E2263-Q2306 PolarHBondContact OE1-N 3Å; E2263-Q2306 VanDerWaalsContact OE2-CB 3.32Å; E2263-Q2306 WeakPolarHBondContact OE2-CB 3.28Å; E2263-Q2306 PolarHBondContact OE2-N 3.04Å; E2263-Q2306 VanDerWaalsContact OE2-N 3.08Å |
| 2307 | F | 80.9 | Confident | 85.3 | Confident | 26.6667 Ų | 26.6667 | 20.6 Ų | 20.6 | 12% | 0.117 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 19.6 | -178.1 | -56 | -76 | 0 | 0 | 0 | 113.2 | E2263 E2264 F2267 S2305 Y2309 Q2310 S2311 | E2263-F2307 HydrophobicContact CG-CD2 4.1Å; E2263-F2307 WeakPolarHBondContact OE1-CD2 3.35Å; E2263-F2307 PolarHBondContact OE1-N 2.96Å; E2264-F2307 HydrophobicContact CB-CE2 3.86Å; E2264-F2307 HydrophobicContact CB-CZ 4.38Å; E2264-F2307 HydrophobicContact CG-CE2 3.86Å; E2264-F2307 HydrophobicContact CG-CZ 3.91Å; F2267-F2307 HydrophobicContact CB-CD2 4.05Å; F2267-F2307 HydrophobicContact CB-CG 4.42Å; F2267-F2307 HydrophobicContact CD1-CB 4.09Å; F2267-F2307 AromaticContact CD1-CD1 3.71Å; F2267-F2307 HydrophobicContact CD1-CD1 3.71Å; F2267-F2307 AromaticContact CD1-CD2 3.74Å; F2267-F2307 HydrophobicContact CD1-CD2 3.74Å; F2267-F2307 AromaticContact CD1-CE1 3.99Å; F2267-F2307 HydrophobicContact CD1-CE1 4.05Å; F2267-F2307 AromaticContact CD1-CE2 3.97Å; F2267-F2307 HydrophobicContact CD1-CE2 4.09Å; F2267-F2307 AromaticContact CD1-CG 3.55Å; F2267-F2307 HydrophobicContact CD1-CG 3.55Å; F2267-F2307 HydrophobicContact CD1-CZ 4.23Å; F2267-F2307 HydrophobicContact CD2-CB 3.87Å; F2267-F2307 HydrophobicContact CD2-CG 4.24Å; F2267-F2307 HydrophobicContact CE1-CB 4.26Å; F2267-F2307 AromaticContact CE1-CD1 3.57Å; F2267-F2307 HydrophobicContact CE1-CD1 3.57Å; F2267-F2307 HydrophobicContact CE1-CD2 4.44Å; F2267-F2307 AromaticContact CE1-CE1 3.98Å; F2267-F2307 HydrophobicContact CE1-CE1 4Å; F2267-F2307 AromaticContact CE1-CG 3.83Å; F2267-F2307 HydrophobicContact CE1-CG 3.83Å; F2267-F2307 HydrophobicContact CE2-CB 4.03Å; F2267-F2307 HydrophobicContact CE2-CG 4.44Å; F2267-F2307 HydrophobicContact CG-CB 3.9Å; F2267-F2307 HydrophobicContact CG-CD1 4.38Å; F2267-F2307 AromaticContact CG-CD2 3.89Å; F2267-F2307 HydrophobicContact CG-CD2 3.89Å; F2267-F2307 HydrophobicContact CG-CE2 4.44Å; F2267-F2307 AromaticContact CG-CG 3.78Å; F2267-F2307 HydrophobicContact CG-CG 3.78Å; F2267-F2307 HydrophobicContact CZ-CB 4.24Å; F2267-F2307 HydrophobicContact CZ-CD1 4.14Å; F2267-F2307 HydrophobicContact CZ-CG 4.29Å; S2305-F2307 VanDerWaalsContact C-N 3.32Å; S2305-F2307 PolarHBondContact O-N 3.08Å; F2307-Y2309 VanDerWaalsContact C-N 3.3Å; F2307-Y2309 PolarHBondContact O-N 3.24Å; F2307-Y2309 VanDerWaalsContact O-N 3.14Å; F2307-Q2310 WeakPolarHBondContact O-CA 3.44Å; F2307-Q2310 PolarHBondContact O-N 3.19Å; F2307-S2311 WeakPolarHBondContact O-CB 3.34Å; F2307-S2311 PolarHBondContact O-N 3.37Å; F2307-S2311 PolarHBondContact O-OG 3.03Å; F2307-S2311 VanDerWaalsContact O-OG 3.08Å |
| 2308 | I | 82.3 | Confident | 85 | Confident | 1.33333 Ų | 1.33333 | 20.5 Ų | 20.5 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -52.5 | -43.3 | -173.3 | -170.4 | 167.5 | 0 | 0 | 0 | 113.7 | L2301 S2305 Q2310 S2311 M2312 P2313 Q2370 T2373 | L2301-I2308 HydrophobicContact CD2-CB 4.49Å; L2301-I2308 HydrophobicContact CD2-CG1 4.24Å; S2305-I2308 WeakPolarHBondContact O-CB 3.33Å; S2305-I2308 VanDerWaalsContact O-CG2 3.29Å; S2305-I2308 WeakPolarHBondContact O-CG2 3.32Å; S2305-I2308 PolarHBondContact O-N 3.28Å; I2308-Q2310 PolarHBondContact O-N 2.97Å; I2308-S2311 PolarHBondContact O-N 3.43Å; I2308-M2312 HydrophobicContact CG1-CB 4.17Å; I2308-M2312 VanDerWaalsContact O-CB 3.25Å; I2308-M2312 WeakPolarHBondContact O-CB 3.41Å; I2308-M2312 PolarHBondContact O-N 3.18Å; I2308-P2313 VanDerWaalsContact O-CD 3.28Å; I2308-P2313 WeakPolarHBondContact O-CD 3.35Å; I2308-Q2370 HydrophobicContact CD1-CB 3.69Å; I2308-Q2370 HydrophobicContact CD1-CG 3.75Å; I2308-Q2370 HydrophobicContact CG1-CB 4.5Å; I2308-T2373 HydrophobicContact CD1-CG2 3.79Å |
| 2309 | Y | 80.1 | Confident | 85 | Confident | 37 Ų | 37 | 20.5 Ų | 20.5 | 15% | 0.145 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.6 | -12.9 | -178.9 | -68.8 | -71.1 | 0 | 0 | 0 | 114.3 | F2307 P2313 H2506 M2583 K2586 | F2307-Y2309 VanDerWaalsContact C-N 3.3Å; F2307-Y2309 PolarHBondContact O-N 3.24Å; F2307-Y2309 VanDerWaalsContact O-N 3.14Å; Y2309-P2313 VanDerWaalsContact O-CD 3.32Å; Y2309-P2313 WeakPolarHBondContact O-CD 3.47Å; Y2309-P2313 VanDerWaalsContact O-CG 3.32Å; Y2309-P2313 WeakPolarHBondContact O-CG 3.29Å; Y2309-H2506 AromaticContact CE2-CD2 3.7Å; Y2309-H2506 AromaticContact CE2-CE1 3.65Å; Y2309-H2506 AromaticContact CE2-NE2 3.31Å; Y2309-H2506 WeakPolarHBondContact CE2-NE2 3.43Å; Y2309-H2506 AromaticContact CZ-CE1 3.96Å; Y2309-H2506 AromaticContact CZ-NE2 3.47Å; Y2309-H2506 VanDerWaalsContact CZ-NE2 3.27Å; Y2309-H2506 PolarHBondContact OH-NE2 3.12Å; Y2309-M2583 HydrophobicContact CD1-CB 3.92Å; Y2309-M2583 HydrophobicContact CD1-CE 3.33Å; Y2309-M2583 HydrophobicContact CD1-CG 3.89Å; Y2309-M2583 HydrophobicContact CD1-SD 4.13Å; Y2309-M2583 HydrophobicContact CD2-CG 4.41Å; Y2309-M2583 HydrophobicContact CE1-CB 4.19Å; Y2309-M2583 HydrophobicContact CE1-CE 3.87Å; Y2309-M2583 HydrophobicContact CE1-CG 4.38Å; Y2309-M2583 HydrophobicContact CG-CE 4.06Å; Y2309-M2583 HydrophobicContact CG-CG 3.99Å; Y2309-M2583 HydrophobicContact CG-SD 4.36Å; Y2309-K2586 HydrophobicContact CD2-CD 3.86Å; Y2309-K2586 HydrophobicContact CE2-CB 4.34Å; Y2309-K2586 HydrophobicContact CE2-CD 3.27Å; Y2309-K2586 HydrophobicContact CE2-CG 4.45Å; Y2309-K2586 HydrophobicContact CG-CD 4.48Å; Y2309-K2586 VanDerWaalsContact OH-CD 3.28Å; Y2309-K2586 WeakPolarHBondContact OH-CD 3.47Å; Y2309-K2586 WeakPolarHBondContact OH-CE 3.26Å; Y2309-K2586 PolarHBondContact OH-NZ 2.89Å |
| 2310 | Q | 83.1 | Confident | 84.9 | Confident | 55.3333 Ų | 55.3333 | 19.8 Ų | 19.8 | 26% | 0.259 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -98.3 | -50.6 | 172.6 | -56.4 | -175.5 | 5.1 | 0 | 0 | 109.7 | F2267 F2307 I2308 R2314 E2785 P2788 | F2267-Q2310 HydrophobicContact CE2-CB 3.96Å; F2267-Q2310 HydrophobicContact CZ-CB 4.05Å; F2267-Q2310 VanDerWaalsContact CZ-OE1 3.28Å; F2307-Q2310 WeakPolarHBondContact O-CA 3.44Å; F2307-Q2310 PolarHBondContact O-N 3.19Å; I2308-Q2310 PolarHBondContact O-N 2.97Å; Q2310-R2314 WeakPolarHBondContact O-CB 3.46Å; Q2310-R2314 PolarHBondContact O-N 3.13Å; Q2310-E2785 PolarHBondContact NE2-OE2 3.45Å; Q2310-P2788 HydrophobicContact CB-CG 4.05Å; Q2310-P2788 HydrophobicContact CG-CB 4.48Å; Q2310-P2788 HydrophobicContact CG-CG 3.51Å |
| 2311 | S | 87.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.6 | -47.4 | -175.1 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | F2267 F2307 I2308 R2314 L2315 | F2267-S2311 WeakPolarHBondContact CD2-OG 3.33Å; F2267-S2311 WeakPolarHBondContact CE2-OG 3.41Å; F2307-S2311 WeakPolarHBondContact O-CB 3.34Å; F2307-S2311 PolarHBondContact O-N 3.37Å; F2307-S2311 PolarHBondContact O-OG 3.03Å; F2307-S2311 VanDerWaalsContact O-OG 3.08Å; I2308-S2311 PolarHBondContact O-N 3.43Å; S2311-R2314 PolarHBondContact O-N 2.9Å; S2311-L2315 VanDerWaalsContact O-CB 3.23Å; S2311-L2315 WeakPolarHBondContact O-CB 3.31Å; S2311-L2315 PolarHBondContact O-N 3.14Å |
| 2312 | M | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.9 | -51.3 | -173 | -176.2 | 65.7 | 98.2 | 0 | 0 | 111.9 | L2301 I2308 R2314 L2315 L2316 I2366 Q2370 F2371 A2374 | L2301-M2312 HydrophobicContact CD1-CB 4.33Å; L2301-M2312 HydrophobicContact CD1-CE 3.91Å; L2301-M2312 HydrophobicContact CD1-SD 4.08Å; L2301-M2312 HydrophobicContact CD2-CB 4.11Å; L2301-M2312 HydrophobicContact CD2-CE 4.1Å; I2308-M2312 HydrophobicContact CG1-CB 4.17Å; I2308-M2312 VanDerWaalsContact O-CB 3.25Å; I2308-M2312 WeakPolarHBondContact O-CB 3.41Å; I2308-M2312 PolarHBondContact O-N 3.18Å; M2312-R2314 VanDerWaalsContact C-N 3.31Å; M2312-R2314 PolarHBondContact O-N 3.12Å; M2312-L2315 PolarHBondContact O-N 3.23Å; M2312-L2316 HydrophobicContact CE-CD1 3.55Å; M2312-L2316 HydrophobicContact CE-CD2 3.71Å; M2312-L2316 HydrophobicContact CE-CG 3.52Å; M2312-L2316 HydrophobicContact CG-CD1 4.29Å; M2312-L2316 WeakPolarHBondContact O-CG 3.35Å; M2312-L2316 PolarHBondContact O-N 3.19Å; M2312-L2316 VanDerWaalsContact O-N 3.1Å; M2312-L2316 HydrophobicContact SD-CD1 4.28Å; M2312-L2316 HydrophobicContact SD-CG 4.29Å; M2312-I2366 HydrophobicContact CE-CG2 3.91Å; M2312-Q2370 VanDerWaalsContact CE-C 3.46Å; M2312-Q2370 HydrophobicContact CE-CB 3.67Å; M2312-Q2370 WeakPolarHBondContact CE-O 3.43Å; M2312-F2371 HydrophobicContact CE-CD1 3.6Å; M2312-F2371 HydrophobicContact CE-CE1 3.86Å; M2312-F2371 HydrophobicContact CE-CG 4.13Å; M2312-F2371 HydrophobicContact CE-CZ 4.44Å; M2312-F2371 HydrophobicContact SD-CD1 3.77Å; M2312-F2371 HydrophobicContact SD-CE1 3.95Å; M2312-F2371 HydrophobicContact SD-CG 4.46Å; M2312-A2374 HydrophobicContact CE-CB 4.42Å; M2312-A2374 HydrophobicContact CG-CB 3.78Å |
| 2313 | P | 85.9 | Confident | 84.2 | Confident | 15 Ų | 15 | 21.5 Ų | 21.5 | 10% | 0.097 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.4 | -37.1 | 176.4 | -25.4 | 37.7 | 0 | 0 | 0 | 112.5 | I2308 Y2309 L2316 T2317 Q2377 A2791 | I2308-P2313 VanDerWaalsContact O-CD 3.28Å; I2308-P2313 WeakPolarHBondContact O-CD 3.35Å; Y2309-P2313 VanDerWaalsContact O-CD 3.32Å; Y2309-P2313 WeakPolarHBondContact O-CD 3.47Å; Y2309-P2313 VanDerWaalsContact O-CG 3.32Å; Y2309-P2313 WeakPolarHBondContact O-CG 3.29Å; P2313-L2316 PolarHBondContact O-N 3.1Å; P2313-T2317 VanDerWaalsContact O-CB 3.26Å; P2313-T2317 WeakPolarHBondContact O-CB 3.4Å; P2313-T2317 PolarHBondContact O-N 3.18Å; P2313-T2317 PolarHBondContact O-OG1 2.92Å; P2313-Q2377 VanDerWaalsContact CA-OE1 3.25Å; P2313-Q2377 PolarHBondContact O-NE2 3.22Å; P2313-A2791 HydrophobicContact CB-CB 3.49Å; P2313-A2791 VanDerWaalsContact CB-CB 3.49Å; P2313-A2791 HydrophobicContact CG-CB 4.42Å |
| 2314 | R | 86.1 | Confident | 84 | Confident | 65.6667 Ų | 65.6667 | 20.9 Ų | 20.9 | 25% | 0.248 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71.2 | -41.9 | -179.6 | -169.2 | 57.8 | 176.4 | -178.3 | -1.1 | 112.3 | D2274 Y2297 Q2310 S2311 M2312 L2316 T2317 L2318 | D2274-R2314 VanDerWaalsContact CG-NH2 3.31Å; D2274-R2314 IonicContact OD1-CZ 3.1Å; D2274-R2314 IonicContact OD1-NE 3.13Å; D2274-R2314 IonicContact OD1-NH2 3.38Å; D2274-R2314 PolarHBondContact OD1-NH2 3.05Å; D2274-R2314 IonicContact OD2-CZ 3.41Å; D2274-R2314 VanDerWaalsContact OD2-CZ 3.25Å; D2274-R2314 IonicContact OD2-NE 3.39Å; D2274-R2314 PolarHBondContact OD2-NE 3.15Å; D2274-R2314 IonicContact OD2-NH2 3.08Å; D2274-R2314 PolarHBondContact OD2-NH2 3.33Å; Y2297-R2314 HydrophobicContact CE2-CG 4Å; Q2310-R2314 WeakPolarHBondContact O-CB 3.46Å; Q2310-R2314 PolarHBondContact O-N 3.13Å; S2311-R2314 PolarHBondContact O-N 2.9Å; M2312-R2314 VanDerWaalsContact C-N 3.31Å; M2312-R2314 PolarHBondContact O-N 3.12Å; R2314-L2316 VanDerWaalsContact C-N 3.33Å; R2314-L2316 PolarHBondContact O-N 3.06Å; R2314-T2317 PolarHBondContact O-N 3.25Å; R2314-L2318 HydrophobicContact CG-CD1 4Å; R2314-L2318 HydrophobicContact CG-CG 4.23Å; R2314-L2318 VanDerWaalsContact O-CB 3.31Å; R2314-L2318 WeakPolarHBondContact O-CB 3.34Å; R2314-L2318 VanDerWaalsContact O-CG 3.24Å; R2314-L2318 WeakPolarHBondContact O-CG 3.46Å; R2314-L2318 PolarHBondContact O-N 3.11Å |
| 2315 | L | 90.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53.9 | -50.7 | 172.6 | 179.3 | 76.2 | 0 | 0 | 0 | 110.8 | L2294 L2301 S2311 M2312 L2318 W2319 M2359 I2366 | L2294-L2315 HydrophobicContact CB-CD1 4.33Å; L2294-L2315 HydrophobicContact CD2-CD1 3.65Å; L2294-L2315 HydrophobicContact CD2-CG 4.45Å; L2294-L2315 WeakPolarHBondContact O-CD1 3.39Å; L2301-L2315 HydrophobicContact CD1-CB 4.45Å; L2301-L2315 HydrophobicContact CD1-CD2 3.84Å; S2311-L2315 VanDerWaalsContact O-CB 3.23Å; S2311-L2315 WeakPolarHBondContact O-CB 3.31Å; S2311-L2315 PolarHBondContact O-N 3.14Å; M2312-L2315 PolarHBondContact O-N 3.23Å; L2315-L2318 PolarHBondContact O-N 3.02Å; L2315-W2319 WeakPolarHBondContact O-CB 3.22Å; L2315-W2319 PolarHBondContact O-N 3.26Å; L2315-W2319 VanDerWaalsContact O-N 3.09Å; L2315-M2359 HydrophobicContact CD2-CE 4.35Å; L2315-M2359 HydrophobicContact CD2-SD 4.47Å; L2315-I2366 HydrophobicContact CD2-CD1 3.98Å |
| 2316 | L | 89.1 | Confident | 83.6 | Confident | 1.66667 Ų | 1.66667 | 24.6 Ų | 24.6 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.7 | -43.4 | -179.7 | -65.7 | 178.5 | 0 | 0 | 0 | 112.1 | M2312 P2313 R2314 L2318 W2319 L2320 M2359 A2374 L2378 | M2312-L2316 HydrophobicContact CE-CD1 3.55Å; M2312-L2316 HydrophobicContact CE-CD2 3.71Å; M2312-L2316 HydrophobicContact CE-CG 3.52Å; M2312-L2316 HydrophobicContact CG-CD1 4.29Å; M2312-L2316 WeakPolarHBondContact O-CG 3.35Å; M2312-L2316 PolarHBondContact O-N 3.19Å; M2312-L2316 VanDerWaalsContact O-N 3.1Å; M2312-L2316 HydrophobicContact SD-CD1 4.28Å; M2312-L2316 HydrophobicContact SD-CG 4.29Å; P2313-L2316 PolarHBondContact O-N 3.1Å; R2314-L2316 VanDerWaalsContact C-N 3.33Å; R2314-L2316 PolarHBondContact O-N 3.06Å; L2316-L2318 PolarHBondContact O-N 3.31Å; L2316-W2319 HydrophobicContact CD2-CE3 4.27Å; L2316-W2319 HydrophobicContact CD2-CZ3 4.44Å; L2316-W2319 PolarHBondContact O-N 2.94Å; L2316-L2320 HydrophobicContact CB-CD1 4.5Å; L2316-L2320 VanDerWaalsContact O-CB 3.29Å; L2316-L2320 WeakPolarHBondContact O-CB 3.18Å; L2316-L2320 WeakPolarHBondContact O-CD1 3.4Å; L2316-L2320 WeakPolarHBondContact O-CG 3.39Å; L2316-L2320 PolarHBondContact O-N 2.97Å; L2316-M2359 HydrophobicContact CD2-CE 4.02Å; L2316-A2374 HydrophobicContact CD1-CB 3.55Å; L2316-L2378 HydrophobicContact CD1-CD2 3.72Å; L2316-L2378 HydrophobicContact CD1-CG 4Å; L2316-L2378 HydrophobicContact CD2-CD2 3.64Å; L2316-L2378 HydrophobicContact CG-CD2 4.29Å |
| 2317 | T | 85.6 | Confident | 83.2 | Confident | 17.6667 Ų | 17.6667 | 21.6 Ų | 21.6 | 11% | 0.108 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 178.8 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | P2313 R2314 W2319 L2320 D2321 Q2377 | P2313-T2317 VanDerWaalsContact O-CB 3.26Å; P2313-T2317 WeakPolarHBondContact O-CB 3.4Å; P2313-T2317 PolarHBondContact O-N 3.18Å; P2313-T2317 PolarHBondContact O-OG1 2.92Å; R2314-T2317 PolarHBondContact O-N 3.25Å; T2317-W2319 PolarHBondContact O-N 3.43Å; T2317-L2320 PolarHBondContact O-N 3.17Å; T2317-D2321 VanDerWaalsContact CG2-OD2 3.25Å; T2317-D2321 WeakPolarHBondContact CG2-OD2 3.45Å; T2317-D2321 VanDerWaalsContact O-CB 3.24Å; T2317-D2321 WeakPolarHBondContact O-CB 3.34Å; T2317-D2321 VanDerWaalsContact O-CG 3.28Å; T2317-D2321 PolarHBondContact O-N 3.01Å; T2317-Q2377 PolarHBondContact OG1-NE2 3.35Å |
| 2318 | L | 85.8 | Confident | 82.5 | Confident | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 178.7 | -73 | 174.6 | 0 | 0 | 0 | 112.1 | D2274 R2277 A2293 L2294 Y2297 R2314 L2315 L2316 Y2322 | D2274-L2318 HydrophobicContact CB-CD1 4.5Å; D2274-L2318 WeakPolarHBondContact OD1-CD2 3.22Å; R2277-L2318 VanDerWaalsContact NH2-CD2 3.31Å; A2293-L2318 HydrophobicContact CB-CD1 4.43Å; L2294-L2318 HydrophobicContact CD2-CB 3.9Å; Y2297-L2318 HydrophobicContact CD2-CD1 4.13Å; Y2297-L2318 HydrophobicContact CE2-CD1 3.82Å; R2314-L2318 HydrophobicContact CG-CD1 4Å; R2314-L2318 HydrophobicContact CG-CG 4.23Å; R2314-L2318 VanDerWaalsContact O-CB 3.31Å; R2314-L2318 WeakPolarHBondContact O-CB 3.34Å; R2314-L2318 VanDerWaalsContact O-CG 3.24Å; R2314-L2318 WeakPolarHBondContact O-CG 3.46Å; R2314-L2318 PolarHBondContact O-N 3.11Å; L2315-L2318 PolarHBondContact O-N 3.02Å; L2316-L2318 PolarHBondContact O-N 3.31Å; L2318-Y2322 WeakPolarHBondContact O-CB 3.32Å; L2318-Y2322 PolarHBondContact O-N 2.96Å; L2318-Y2322 VanDerWaalsContact O-N 3.14Å |
| 2319 | W | 89.6 | Confident | 81.8 | Confident | 0.333333 Ų | 0.333333 | 30.6 Ų | 30.6 | 0% | 0.001 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | 178.3 | 169.2 | 52.8 | 0 | 0 | 0 | 112.4 | L2294 L2315 L2316 T2317 G2323 Q2356 M2359 V2389 T2392 L2393 | L2294-W2319 HydrophobicContact CD2-CB 4.23Å; L2315-W2319 WeakPolarHBondContact O-CB 3.22Å; L2315-W2319 PolarHBondContact O-N 3.26Å; L2315-W2319 VanDerWaalsContact O-N 3.09Å; L2316-W2319 HydrophobicContact CD2-CE3 4.27Å; L2316-W2319 HydrophobicContact CD2-CZ3 4.44Å; L2316-W2319 PolarHBondContact O-N 2.94Å; T2317-W2319 PolarHBondContact O-N 3.43Å; W2319-G2323 PolarHBondContact O-N 2.93Å; W2319-G2323 VanDerWaalsContact O-N 3.14Å; W2319-Q2356 VanDerWaalsContact NE1-NE2 3.19Å; W2319-M2359 HydrophobicContact CB-SD 4.49Å; W2319-M2359 HydrophobicContact CD2-CE 4.34Å; W2319-M2359 HydrophobicContact CD2-CG 3.77Å; W2319-M2359 HydrophobicContact CD2-SD 4.19Å; W2319-M2359 HydrophobicContact CE3-CE 3.98Å; W2319-M2359 HydrophobicContact CE3-CG 4.16Å; W2319-M2359 HydrophobicContact CE3-SD 4.3Å; W2319-M2359 HydrophobicContact CG-CG 4.12Å; W2319-M2359 HydrophobicContact CG-SD 4.31Å; W2319-M2359 HydrophobicContact CH2-CG 4.38Å; W2319-M2359 HydrophobicContact CZ2-CG 4.03Å; W2319-M2359 HydrophobicContact CZ3-CE 4.17Å; W2319-M2359 HydrophobicContact CZ3-CG 4.44Å; W2319-V2389 HydrophobicContact CH2-CG1 4.19Å; W2319-V2389 HydrophobicContact CZ2-CB 4.42Å; W2319-V2389 HydrophobicContact CZ2-CG1 3.79Å; W2319-T2392 HydrophobicContact CH2-CG2 4.09Å; W2319-T2392 HydrophobicContact CZ2-CG2 3.97Å; W2319-L2393 HydrophobicContact CH2-CB 4.04Å; W2319-L2393 HydrophobicContact CH2-CD1 4.36Å; W2319-L2393 HydrophobicContact CH2-CD2 3.72Å; W2319-L2393 HydrophobicContact CH2-CG 3.66Å; W2319-L2393 HydrophobicContact CZ3-CD1 4.21Å; W2319-L2393 HydrophobicContact CZ3-CD2 3.51Å; W2319-L2393 VanDerWaalsContact CZ3-CD2 3.49Å; W2319-L2393 HydrophobicContact CZ3-CG 3.97Å |
| 2320 | L | 86.2 | Confident | 80.9 | Confident | 3.33333 Ų | 3.33333 | 30.9 Ų | 30.9 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -75.6 | -40.4 | -174.9 | -65.5 | 170.7 | 0 | 0 | 0 | 112.5 | L2316 T2317 Y2322 G2323 Q2324 R2381 H2384 V2389 L2393 | L2316-L2320 HydrophobicContact CB-CD1 4.5Å; L2316-L2320 VanDerWaalsContact O-CB 3.29Å; L2316-L2320 WeakPolarHBondContact O-CB 3.18Å; L2316-L2320 WeakPolarHBondContact O-CD1 3.4Å; L2316-L2320 WeakPolarHBondContact O-CG 3.39Å; L2316-L2320 PolarHBondContact O-N 2.97Å; T2317-L2320 PolarHBondContact O-N 3.17Å; L2320-Y2322 VanDerWaalsContact C-N 3.33Å; L2320-G2323 PolarHBondContact O-N 3.02Å; L2320-Q2324 PolarHBondContact O-N 3.26Å; L2320-Q2324 VanDerWaalsContact O-N 3.1Å; L2320-R2381 HydrophobicContact CD1-CB 3.82Å; L2320-R2381 HydrophobicContact CD1-CG 3.84Å; L2320-H2384 PolarHBondContact O-NE2 3Å; L2320-V2389 HydrophobicContact CD2-CG1 3.65Å; L2320-L2393 HydrophobicContact CD1-CD1 4.47Å; L2320-L2393 HydrophobicContact CD2-CD1 3.96Å; L2320-L2393 HydrophobicContact CD2-CD2 4.25Å; L2320-L2393 HydrophobicContact CD2-CG 4.35Å |
| 2321 | D | 82.8 | Confident | 79.9 | Confident | 38.3333 Ų | 38.3333 | 33.8 Ų | 33.8 | 21% | 0.205 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.8 | -36.9 | 177.2 | -66.6 | -8.6 | 0 | 0 | 0 | 110.6 | T2317 G2323 Q2324 D2325 R2381 R2794 | T2317-D2321 VanDerWaalsContact CG2-OD2 3.25Å; T2317-D2321 WeakPolarHBondContact CG2-OD2 3.45Å; T2317-D2321 VanDerWaalsContact O-CB 3.24Å; T2317-D2321 WeakPolarHBondContact O-CB 3.34Å; T2317-D2321 VanDerWaalsContact O-CG 3.28Å; T2317-D2321 PolarHBondContact O-N 3.01Å; D2321-G2323 VanDerWaalsContact C-N 3.29Å; D2321-G2323 PolarHBondContact O-N 3.09Å; D2321-Q2324 WeakPolarHBondContact O-CB 3.46Å; D2321-Q2324 PolarHBondContact O-N 3.18Å; D2321-Q2324 VanDerWaalsContact O-N 3.09Å; D2321-D2325 PolarHBondContact O-N 3.29Å; D2321-R2381 IonicContact OD1-CZ 3.12Å; D2321-R2381 IonicContact OD1-NH1 3.33Å; D2321-R2381 PolarHBondContact OD1-NH1 3.13Å; D2321-R2381 IonicContact OD1-NH2 3.71Å; D2321-R2381 PolarHBondContact OD1-NH2 3.06Å; D2321-R2794 IonicContact OD2-NH1 3.09Å |
| 2322 | Y | 82.7 | Confident | 78.4 | Confident | 21.6667 Ų | 21.6667 | 40.1 Ų | 40.1 | 9% | 0.085 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.8 | -37 | 172 | -175.2 | -105 | 0 | 0 | 0 | 112.6 | N2287 I2290 L2318 L2320 Q2324 D2325 S2326 V2351 F2352 V2355 | N2287-Y2322 WeakPolarHBondContact OD1-CE2 3.36Å; N2287-Y2322 PolarHBondContact OD1-OH 3.46Å; I2290-Y2322 VanDerWaalsContact CD1-CB 3.45Å; I2290-Y2322 HydrophobicContact CD1-CD1 4.23Å; I2290-Y2322 HydrophobicContact CD1-CD2 3.44Å; I2290-Y2322 VanDerWaalsContact CD1-CD2 3.4Å; I2290-Y2322 HydrophobicContact CD1-CE2 4.22Å; I2290-Y2322 HydrophobicContact CD1-CG 3.49Å; I2290-Y2322 VanDerWaalsContact CD1-CG 3.46Å; I2290-Y2322 HydrophobicContact CG2-CD2 4.48Å; I2290-Y2322 HydrophobicContact CG2-CE2 4.28Å; L2318-Y2322 WeakPolarHBondContact O-CB 3.32Å; L2318-Y2322 PolarHBondContact O-N 2.96Å; L2318-Y2322 VanDerWaalsContact O-N 3.14Å; L2320-Y2322 VanDerWaalsContact C-N 3.33Å; Y2322-Q2324 VanDerWaalsContact C-N 3.31Å; Y2322-Q2324 PolarHBondContact O-N 3.22Å; Y2322-D2325 PolarHBondContact O-N 2.83Å; Y2322-S2326 WeakPolarHBondContact O-CB 3.3Å; Y2322-S2326 PolarHBondContact O-N 3.14Å; Y2322-S2326 PolarHBondContact O-OG 2.92Å; Y2322-V2351 VanDerWaalsContact OH-CG1 3.29Å; Y2322-V2351 WeakPolarHBondContact OH-CG1 3.35Å; Y2322-F2352 HydrophobicContact CD1-CD2 4.3Å; Y2322-F2352 AromaticContact CE1-CD2 3.99Å; Y2322-F2352 HydrophobicContact CE1-CD2 4.03Å; Y2322-V2355 HydrophobicContact CD1-CG1 4.16Å; Y2322-V2355 HydrophobicContact CD1-CG2 4.45Å; Y2322-V2355 HydrophobicContact CE1-CB 4.36Å; Y2322-V2355 HydrophobicContact CE1-CG1 4.37Å; Y2322-V2355 HydrophobicContact CE1-CG2 4.06Å |
| 2323 | G | 81.3 | Confident | 76.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W2319 L2320 D2321 V2327 I2386 | W2319-G2323 PolarHBondContact O-N 2.93Å; W2319-G2323 VanDerWaalsContact O-N 3.14Å; L2320-G2323 PolarHBondContact O-N 3.02Å; D2321-G2323 VanDerWaalsContact C-N 3.29Å; D2321-G2323 PolarHBondContact O-N 3.09Å; G2323-V2327 WeakPolarHBondContact O-CG2 3.39Å; G2323-V2327 PolarHBondContact O-N 3.18Å; G2323-I2386 WeakPolarHBondContact O-CD1 3.35Å |
| 2324 | Q | 79 | Confident | 75.2 | Confident | 52 Ų | 52 | 47.8 Ų | 47.8 | 24% | 0.243 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70 | -40.9 | 178.1 | -95.7 | 177.7 | -19 | 0 | 0 | 112.8 | L2320 D2321 Y2322 S2326 V2327 R2328 R2381 H2384 | L2320-Q2324 PolarHBondContact O-N 3.26Å; L2320-Q2324 VanDerWaalsContact O-N 3.1Å; D2321-Q2324 WeakPolarHBondContact O-CB 3.46Å; D2321-Q2324 PolarHBondContact O-N 3.18Å; D2321-Q2324 VanDerWaalsContact O-N 3.09Å; Y2322-Q2324 VanDerWaalsContact C-N 3.31Å; Y2322-Q2324 PolarHBondContact O-N 3.22Å; Q2324-S2326 VanDerWaalsContact C-N 3.33Å; Q2324-S2326 PolarHBondContact O-N 3.03Å; Q2324-V2327 WeakPolarHBondContact O-CB 3.48Å; Q2324-V2327 PolarHBondContact O-N 3.01Å; Q2324-V2327 VanDerWaalsContact O-N 3.14Å; Q2324-R2328 PolarHBondContact O-N 3.02Å; Q2324-R2328 VanDerWaalsContact O-N 3.07Å; Q2324-R2381 VanDerWaalsContact NE2-NH1 3.11Å; Q2324-H2384 WeakPolarHBondContact CG-NE2 3.41Å; Q2324-H2384 PolarHBondContact N-NE2 3.18Å |
| 2325 | D | 75.9 | Confident | 73.7 | Confident | 64.3333 Ų | 64.3333 | 53.5 Ų | 53.5 | 34% | 0.344 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 178.5 | -71.2 | -18.7 | 0 | 0 | 0 | 111.5 | D2321 Y2322 V2327 R2328 N2329 | D2321-D2325 PolarHBondContact O-N 3.29Å; Y2322-D2325 PolarHBondContact O-N 2.83Å; D2325-V2327 VanDerWaalsContact C-N 3.27Å; D2325-V2327 PolarHBondContact O-N 2.96Å; D2325-R2328 PolarHBondContact O-N 3.11Å; D2325-N2329 WeakPolarHBondContact O-CB 3.01Å; D2325-N2329 VanDerWaalsContact O-CG 3.31Å; D2325-N2329 PolarHBondContact O-N 3.04Å; D2325-N2329 PolarHBondContact O-OD1 2.97Å |
| 2326 | S | 72.7 | Confident | 71.7 | Confident | 28.6667 Ų | 28.6667 | 57 Ų | 57 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -36.8 | 174 | -148.2 | 0 | 0 | 0 | 0 | 112.2 | Y2322 Q2324 S2330 | Y2322-S2326 WeakPolarHBondContact O-CB 3.3Å; Y2322-S2326 PolarHBondContact O-N 3.14Å; Y2322-S2326 PolarHBondContact O-OG 2.92Å; Q2324-S2326 VanDerWaalsContact C-N 3.33Å; Q2324-S2326 PolarHBondContact O-N 3.03Å; S2326-S2330 WeakPolarHBondContact O-CB 3.27Å; S2326-S2330 PolarHBondContact O-N 3Å; S2326-S2330 VanDerWaalsContact O-N 3.1Å |
| 2327 | V | 68.4 | Low | 69.5 | Low | 18.3333 Ų | 18.3333 | 65.6 Ų | 65.6 | 11% | 0.111 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.4 | -45.8 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 111 | G2323 Q2324 D2325 N2329 S2330 H2331 E2385 I2386 | G2323-V2327 WeakPolarHBondContact O-CG2 3.39Å; G2323-V2327 PolarHBondContact O-N 3.18Å; Q2324-V2327 WeakPolarHBondContact O-CB 3.48Å; Q2324-V2327 PolarHBondContact O-N 3.01Å; Q2324-V2327 VanDerWaalsContact O-N 3.14Å; D2325-V2327 VanDerWaalsContact C-N 3.27Å; D2325-V2327 PolarHBondContact O-N 2.96Å; V2327-N2329 PolarHBondContact O-N 3.09Å; V2327-S2330 WeakPolarHBondContact O-CB 3.34Å; V2327-S2330 PolarHBondContact O-N 3.21Å; V2327-S2330 PolarHBondContact O-OG 3.09Å; V2327-H2331 VanDerWaalsContact CG1-CD2 3.45Å; V2327-H2331 WeakPolarHBondContact CG1-CD2 3.15Å; V2327-H2331 PolarHBondContact O-CD2 2.71Å; V2327-H2331 VanDerWaalsContact O-CD2 3.23Å; V2327-H2331 PolarHBondContact O-N 2.95Å; V2327-E2385 VanDerWaalsContact CG1-OE2 3.28Å; V2327-E2385 WeakPolarHBondContact CG1-OE2 3.35Å; V2327-E2385 HydrophobicContact CG2-CB 4.33Å; V2327-I2386 HydrophobicContact CG2-CD1 3.66Å; V2327-I2386 HydrophobicContact CG2-CG1 3.32Å |
| 2328 | R | 67.5 | Low | 67.6 | Low | 149.667 Ų | 149.667 | 73.6 Ų | 73.6 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.6 | -48.3 | 177.8 | -74 | 179.7 | 171 | -177.9 | -3.6 | 112 | Q2324 D2325 S2330 H2331 E2332 | Q2324-R2328 PolarHBondContact O-N 3.02Å; Q2324-R2328 VanDerWaalsContact O-N 3.07Å; D2325-R2328 PolarHBondContact O-N 3.11Å; R2328-S2330 VanDerWaalsContact C-N 3.32Å; R2328-S2330 PolarHBondContact O-N 3.07Å; R2328-H2331 PolarHBondContact O-N 3.16Å; R2328-H2331 VanDerWaalsContact O-N 3.14Å; R2328-E2332 PolarHBondContact O-N 3.29Å |
| 2329 | N | 66.5 | Low | 65.6 | Low | 67 Ų | 67 | 82.2 Ų | 82.2 | 36% | 0.358 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.4 | -68.2 | -5 | 0 | 0 | 0 | 111.3 | D2325 V2327 H2331 E2332 L2333 | D2325-N2329 WeakPolarHBondContact O-CB 3.01Å; D2325-N2329 VanDerWaalsContact O-CG 3.31Å; D2325-N2329 PolarHBondContact O-N 3.04Å; D2325-N2329 PolarHBondContact O-OD1 2.97Å; V2327-N2329 PolarHBondContact O-N 3.09Å; N2329-H2331 VanDerWaalsContact C-N 3.29Å; N2329-H2331 PolarHBondContact O-N 3.12Å; N2329-E2332 PolarHBondContact O-N 2.99Å; N2329-L2333 WeakPolarHBondContact O-CB 3.32Å; N2329-L2333 VanDerWaalsContact O-CD1 3.27Å; N2329-L2333 WeakPolarHBondContact O-CD1 3.27Å; N2329-L2333 VanDerWaalsContact O-CG 3.27Å; N2329-L2333 WeakPolarHBondContact O-CG 3.33Å; N2329-L2333 PolarHBondContact O-N 3.35Å |
| 2330 | S | 62.8 | Low | 63.5 | Low | 44.6667 Ų | 44.6667 | 88.5 Ų | 88.5 | 31% | 0.312 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.2 | -33.9 | 176.5 | 78.9 | 0 | 0 | 0 | 0 | 113.2 | S2326 V2327 R2328 N2334 | S2326-S2330 WeakPolarHBondContact O-CB 3.27Å; S2326-S2330 PolarHBondContact O-N 3Å; S2326-S2330 VanDerWaalsContact O-N 3.1Å; V2327-S2330 WeakPolarHBondContact O-CB 3.34Å; V2327-S2330 PolarHBondContact O-N 3.21Å; V2327-S2330 PolarHBondContact O-OG 3.09Å; R2328-S2330 VanDerWaalsContact C-N 3.32Å; R2328-S2330 PolarHBondContact O-N 3.07Å; S2330-N2334 WeakPolarHBondContact O-CB 3.31Å; S2330-N2334 VanDerWaalsContact O-CG 3.25Å; S2330-N2334 PolarHBondContact O-N 3.17Å; S2330-N2334 VanDerWaalsContact O-N 3.15Å; S2330-N2334 PolarHBondContact O-ND2 3.13Å |
| 2331 | H | 60.6 | Low | 61.8 | Low | 115.667 Ų | 115.667 | 92 Ų | 92 | 54% | 0.535 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -77.9 | -34.4 | 177 | -78.2 | -63.6 | 0 | 0 | 0 | 113.4 | V2327 R2328 N2329 K2335 | V2327-H2331 VanDerWaalsContact CG1-CD2 3.45Å; V2327-H2331 WeakPolarHBondContact CG1-CD2 3.15Å; V2327-H2331 PolarHBondContact O-CD2 2.71Å; V2327-H2331 VanDerWaalsContact O-CD2 3.23Å; V2327-H2331 PolarHBondContact O-N 2.95Å; R2328-H2331 PolarHBondContact O-N 3.16Å; R2328-H2331 VanDerWaalsContact O-N 3.14Å; N2329-H2331 VanDerWaalsContact C-N 3.29Å; N2329-H2331 PolarHBondContact O-N 3.12Å; H2331-K2335 PolarHBondContact O-N 2.98Å |
| 2332 | E | 57.7 | Low | 60.3 | Low | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71 | -40.1 | 176.6 | -72.8 | -174.4 | 172.3 | 0 | 0 | 112.3 | R2328 N2329 N2334 K2335 S2336 | R2328-E2332 PolarHBondContact O-N 3.29Å; N2329-E2332 PolarHBondContact O-N 2.99Å; E2332-N2334 VanDerWaalsContact C-N 3.28Å; E2332-N2334 PolarHBondContact O-N 3.4Å; E2332-K2335 PolarHBondContact O-N 3.04Å; E2332-K2335 VanDerWaalsContact O-N 3.14Å; E2332-S2336 PolarHBondContact O-N 3.03Å; E2332-S2336 PolarHBondContact O-OG 3.17Å |
| 2333 | L | 53.8 | Low | 58.8 | Low | 50 Ų | 50 | 103.8 Ų | 103.8 | 26% | 0.262 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 174.9 | -70 | 161.8 | 0 | 0 | 0 | 111.4 | N2329 K2335 S2336 E2341 L2345 | N2329-L2333 WeakPolarHBondContact O-CB 3.32Å; N2329-L2333 VanDerWaalsContact O-CD1 3.27Å; N2329-L2333 WeakPolarHBondContact O-CD1 3.27Å; N2329-L2333 VanDerWaalsContact O-CG 3.27Å; N2329-L2333 WeakPolarHBondContact O-CG 3.33Å; N2329-L2333 PolarHBondContact O-N 3.35Å; L2333-K2335 PolarHBondContact O-N 2.99Å; L2333-K2335 VanDerWaalsContact O-N 3.13Å; L2333-S2336 CarbonylContact O-C 3.48Å; L2333-S2336 PolarHBondContact O-N 3.18Å; L2333-E2341 VanDerWaalsContact CD2-OE2 3.28Å; L2333-E2341 WeakPolarHBondContact CD2-OE2 3.33Å; L2333-L2345 HydrophobicContact CD1-CD1 4.08Å |
| 2334 | N | 54.4 | Low | 57.6 | Low | 126.667 Ų | 126.667 | 107.5 Ų | 107.5 | 68% | 0.677 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.3 | 176.9 | -80.8 | -35 | 0 | 0 | 0 | 114.3 | S2330 E2332 | S2330-N2334 WeakPolarHBondContact O-CB 3.31Å; S2330-N2334 VanDerWaalsContact O-CG 3.25Å; S2330-N2334 PolarHBondContact O-N 3.17Å; S2330-N2334 VanDerWaalsContact O-N 3.15Å; S2330-N2334 PolarHBondContact O-ND2 3.13Å; E2332-N2334 VanDerWaalsContact C-N 3.28Å; E2332-N2334 PolarHBondContact O-N 3.4Å |
| 2335 | K | 55.7 | Low | 56.5 | Low | 185.333 Ų | 185.333 | 109 Ų | 109 | 81% | 0.806 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -19.1 | 174.3 | -73.2 | -179.7 | 179.7 | 176 | 0 | 113.2 | H2331 E2332 L2333 Q2337 | H2331-K2335 PolarHBondContact O-N 2.98Å; E2332-K2335 PolarHBondContact O-N 3.04Å; E2332-K2335 VanDerWaalsContact O-N 3.14Å; L2333-K2335 PolarHBondContact O-N 2.99Å; L2333-K2335 VanDerWaalsContact O-N 3.13Å; K2335-Q2337 PolarHBondContact O-N 3.25Å |
| 2336 | S | 47.7 | Very low | 55.9 | Low | 72.6667 Ų | 72.6667 | 112.3 Ų | 112.3 | 51% | 0.508 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -109.6 | 75.9 | -170.8 | -49.2 | 0 | 0 | 0 | 0 | 110.5 | E2332 L2333 K2338 | E2332-S2336 PolarHBondContact O-N 3.03Å; E2332-S2336 PolarHBondContact O-OG 3.17Å; L2333-S2336 CarbonylContact O-C 3.48Å; L2333-S2336 PolarHBondContact O-N 3.18Å; S2336-K2338 PolarHBondContact O-N 3.15Å |
| 2337 | Q | 42.9 | Very low | 55.6 | Low | 182.667 Ų | 182.667 | 113.5 Ų | 113.5 | 85% | 0.854 | 56% | 0.564 | S | S | * | * | trans | -30.6 | 112.3 | 173.4 | -72.5 | -177.9 | -22 | 0 | 0 | 113.9 | K2335 H2339 | K2335-Q2337 PolarHBondContact O-N 3.25Å; Q2337-H2339 PolarHBondContact O-N 2.67Å | ||
| 2338 | K | 44.8 | Very low | 55.6 | Low | 186.667 Ų | 186.667 | 115.6 Ų | 115.6 | 81% | 0.812 | 57% | 0.572 | S | S | * | * | trans | -144.5 | 83.4 | 168.1 | -112.5 | 170.4 | -172.4 | -177.4 | 0 | 114 | S2336 T2340 | S2336-K2338 PolarHBondContact O-N 3.15Å; K2338-T2340 VanDerWaalsContact C-N 3.33Å; K2338-T2340 PolarHBondContact O-N 3.04Å | ||
| 2339 | H | 45 | Very low | 55.9 | Low | 186.333 Ų | 186.333 | 113.4 Ų | 113.4 | 86% | 0.863 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -64.8 | 25.5 | -179.3 | -81.2 | -68.1 | 0 | 0 | 0 | 121.2 | Q2337 | Q2337-H2339 PolarHBondContact O-N 2.67Š|
| 2340 | T | 45.4 | Very low | 56.5 | Low | 133 Ų | 133 | 115.9 Ų | 115.9 | 82% | 0.816 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -130.9 | 13.1 | 174.4 | -20.3 | 0 | 0 | 0 | 0 | 115.3 | K2338 | K2338-T2340 VanDerWaalsContact C-N 3.33Å; K2338-T2340 PolarHBondContact O-N 3.04Å |
| 2341 | E | 49.1 | Very low | 57.3 | Low | 76 Ų | 76 | 114.9 Ų | 114.9 | 36% | 0.355 | 57% | 0.568 | S | S | . | * | trans | -115.2 | 0.6 | -163.3 | -64.2 | -174.4 | 158.2 | 0 | 0 | 116.9 | L2333 N2343 N2344 L2345 | L2333-E2341 VanDerWaalsContact CD2-OE2 3.28Å; L2333-E2341 WeakPolarHBondContact CD2-OE2 3.33Å; E2341-N2343 VanDerWaalsContact C-N 3.29Å; E2341-N2343 PolarHBondContact O-N 3.24Å; E2341-N2343 VanDerWaalsContact O-N 3.16Å; E2341-N2344 PolarHBondContact O-N 3.1Å; E2341-L2345 PolarHBondContact O-N 3.01Å; E2341-L2345 VanDerWaalsContact O-N 3.08Å | ||
| 2342 | E | 51.8 | Low | 58.4 | Low | 164.667 Ų | 164.667 | 109.8 Ų | 109.8 | 77% | 0.769 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61 | -35.9 | -178.9 | -72.5 | -175.1 | 169 | 0 | 0 | 113.3 | H2346 | E2342-H2346 PolarHBondContact O-N 2.84Å; E2342-H2346 VanDerWaalsContact O-N 3.17Å |
| 2343 | N | 51.9 | Low | 59.7 | Low | 143.333 Ų | 143.333 | 107.7 Ų | 107.7 | 77% | 0.766 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.6 | -34.1 | 179.1 | -76.5 | -22.4 | 0 | 0 | 0 | 113.3 | E2341 S2347 | E2341-N2343 VanDerWaalsContact C-N 3.29Å; E2341-N2343 PolarHBondContact O-N 3.24Å; E2341-N2343 VanDerWaalsContact O-N 3.16Å; N2343-S2347 PolarHBondContact O-N 3.08Å |
| 2344 | N | 55.4 | Low | 61.2 | Low | 78.6667 Ų | 78.6667 | 109.2 Ų | 109.2 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73.5 | -42.3 | 178 | -78.7 | -21.7 | 0 | 0 | 0 | 110.7 | E2341 H2346 S2347 E2348 | E2341-N2344 PolarHBondContact O-N 3.1Å; N2344-H2346 VanDerWaalsContact C-N 3.33Å; N2344-H2346 PolarHBondContact O-N 3.27Å; N2344-S2347 PolarHBondContact O-N 3.26Å; N2344-S2347 VanDerWaalsContact O-N 3.12Å; N2344-S2347 PolarHBondContact O-OG 3.29Å; N2344-E2348 PolarHBondContact O-N 2.91Å |
| 2345 | L | 57.2 | Low | 62.7 | Low | 83.3333 Ų | 83.3333 | 103.2 Ų | 103.2 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 178 | -139.8 | 101.2 | 0 | 0 | 0 | 112.1 | L2333 E2341 S2347 E2348 Q2349 | L2333-L2345 HydrophobicContact CD1-CD1 4.08Å; E2341-L2345 PolarHBondContact O-N 3.01Å; E2341-L2345 VanDerWaalsContact O-N 3.08Å; L2345-S2347 VanDerWaalsContact C-N 3.31Å; L2345-S2347 PolarHBondContact O-N 3.02Å; L2345-E2348 PolarHBondContact O-N 3.12Å; L2345-Q2349 WeakPolarHBondContact O-CB 3.28Å; L2345-Q2349 PolarHBondContact O-N 3.06Å |
| 2346 | H | 61.9 | Low | 64.2 | Low | 133.667 Ų | 133.667 | 95.2 Ų | 95.2 | 62% | 0.619 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.4 | -35.7 | 177.9 | -163.4 | 69.5 | 0 | 0 | 0 | 112.3 | E2342 N2344 K2350 | E2342-H2346 PolarHBondContact O-N 2.84Å; E2342-H2346 VanDerWaalsContact O-N 3.17Å; N2344-H2346 VanDerWaalsContact C-N 3.33Å; N2344-H2346 PolarHBondContact O-N 3.27Å; H2346-K2350 PolarHBondContact CD2-NZ 3.33Å; H2346-K2350 WeakPolarHBondContact NE2-CE 3.47Å; H2346-K2350 PolarHBondContact NE2-NZ 3.28Å; H2346-K2350 VanDerWaalsContact NE2-NZ 3.15Å; H2346-K2350 WeakPolarHBondContact O-CB 3.39Å; H2346-K2350 WeakPolarHBondContact O-CG 3.3Å; H2346-K2350 PolarHBondContact O-N 3.21Å; H2346-K2350 VanDerWaalsContact O-N 3.15Å |
| 2347 | S | 66.6 | Low | 66.2 | Low | 53.6667 Ų | 53.6667 | 95.7 Ų | 95.7 | 38% | 0.375 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 177.3 | 77.7 | 0 | 0 | 0 | 0 | 112.5 | N2343 N2344 L2345 K2350 V2351 | N2343-S2347 PolarHBondContact O-N 3.08Å; N2344-S2347 PolarHBondContact O-N 3.26Å; N2344-S2347 VanDerWaalsContact O-N 3.12Å; N2344-S2347 PolarHBondContact O-OG 3.29Å; L2345-S2347 VanDerWaalsContact C-N 3.31Å; L2345-S2347 PolarHBondContact O-N 3.02Å; S2347-K2350 PolarHBondContact O-N 3.18Å; S2347-V2351 VanDerWaalsContact O-CG2 3.23Å; S2347-V2351 WeakPolarHBondContact O-CG2 3.31Å; S2347-V2351 PolarHBondContact O-N 2.89Å; S2347-V2351 VanDerWaalsContact O-N 3.12Å |
| 2348 | E | 68.8 | Low | 68.3 | Low | 61.6667 Ų | 61.6667 | 88.3 Ų | 88.3 | 29% | 0.288 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 177.3 | -69.7 | -171.4 | 168.4 | 0 | 0 | 111.7 | C2283 N2344 L2345 K2350 V2351 F2352 | C2283-E2348 PolarHBondContact SG-OE1 3.07Å; N2344-E2348 PolarHBondContact O-N 2.91Å; L2345-E2348 PolarHBondContact O-N 3.12Å; E2348-K2350 VanDerWaalsContact C-N 3.31Å; E2348-K2350 PolarHBondContact O-N 3.26Å; E2348-V2351 PolarHBondContact O-N 3.07Å; E2348-F2352 WeakPolarHBondContact O-CB 3.47Å; E2348-F2352 PolarHBondContact O-N 2.98Å |
| 2349 | Q | 74.6 | Confident | 70.5 | Confident | 103 Ų | 103 | 79.5 Ų | 79.5 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 175.9 | -163.2 | 74.8 | 26.6 | 0 | 0 | 112.1 | L2345 F2352 N2353 | L2345-Q2349 WeakPolarHBondContact O-CB 3.28Å; L2345-Q2349 PolarHBondContact O-N 3.06Å; Q2349-F2352 PolarHBondContact O-N 3.03Å; Q2349-N2353 PolarHBondContact O-N 3.07Å; Q2349-N2353 PolarHBondContact O-ND2 3.25Å |
| 2350 | K | 79.2 | Confident | 72.6 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 175.1 | -147.5 | 178.6 | 175.6 | 176.4 | 0 | 111.5 | H2346 S2347 E2348 F2352 N2353 E2354 | H2346-K2350 PolarHBondContact CD2-NZ 3.33Å; H2346-K2350 WeakPolarHBondContact NE2-CE 3.47Å; H2346-K2350 PolarHBondContact NE2-NZ 3.28Å; H2346-K2350 VanDerWaalsContact NE2-NZ 3.15Å; H2346-K2350 WeakPolarHBondContact O-CB 3.39Å; H2346-K2350 WeakPolarHBondContact O-CG 3.3Å; H2346-K2350 PolarHBondContact O-N 3.21Å; H2346-K2350 VanDerWaalsContact O-N 3.15Å; S2347-K2350 PolarHBondContact O-N 3.18Å; E2348-K2350 VanDerWaalsContact C-N 3.31Å; E2348-K2350 PolarHBondContact O-N 3.26Å; K2350-F2352 VanDerWaalsContact C-N 3.29Å; K2350-F2352 PolarHBondContact O-N 3.26Å; K2350-N2353 PolarHBondContact O-N 3.12Å; K2350-E2354 WeakPolarHBondContact CE-OE1 3.32Å; K2350-E2354 WeakPolarHBondContact O-CG 3.29Å; K2350-E2354 PolarHBondContact O-N 3.14Å |
| 2351 | V | 79.4 | Confident | 74.8 | Confident | 22.6667 Ų | 22.6667 | 72.5 Ų | 72.5 | 14% | 0.137 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | N2287 K2291 Y2322 S2347 E2348 N2353 E2354 V2355 | N2287-V2351 HydrophobicContact CB-CG1 3.86Å; N2287-V2351 HydrophobicContact CB-CG2 4.44Å; K2291-V2351 HydrophobicContact CD-CG1 4.38Å; K2291-V2351 VanDerWaalsContact CE-CG1 3.46Å; Y2322-V2351 VanDerWaalsContact OH-CG1 3.29Å; Y2322-V2351 WeakPolarHBondContact OH-CG1 3.35Å; S2347-V2351 VanDerWaalsContact O-CG2 3.23Å; S2347-V2351 WeakPolarHBondContact O-CG2 3.31Å; S2347-V2351 PolarHBondContact O-N 2.89Å; S2347-V2351 VanDerWaalsContact O-N 3.12Å; E2348-V2351 PolarHBondContact O-N 3.07Å; V2351-N2353 PolarHBondContact O-N 3.44Å; V2351-E2354 WeakPolarHBondContact O-CB 3.44Å; V2351-E2354 PolarHBondContact O-N 3.21Å; V2351-V2355 HydrophobicContact CG1-CG2 4.44Å; V2351-V2355 WeakPolarHBondContact O-CG2 3.31Å; V2351-V2355 PolarHBondContact O-N 3.26Å |
| 2352 | F | 82.7 | Confident | 76.7 | Confident | 8.33333 Ų | 8.33333 | 69.2 Ų | 69.2 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 176.8 | -179.6 | -95.1 | 0 | 0 | 0 | 112.3 | Y2322 E2348 Q2349 K2350 E2354 V2355 Q2356 I2386 V2389 | Y2322-F2352 HydrophobicContact CD1-CD2 4.3Å; Y2322-F2352 AromaticContact CE1-CD2 3.99Å; Y2322-F2352 HydrophobicContact CE1-CD2 4.03Å; E2348-F2352 WeakPolarHBondContact O-CB 3.47Å; E2348-F2352 PolarHBondContact O-N 2.98Å; Q2349-F2352 PolarHBondContact O-N 3.03Å; K2350-F2352 VanDerWaalsContact C-N 3.29Å; K2350-F2352 PolarHBondContact O-N 3.26Å; F2352-E2354 VanDerWaalsContact C-N 3.34Å; F2352-E2354 PolarHBondContact O-N 3.26Å; F2352-V2355 PolarHBondContact O-N 3.32Å; F2352-Q2356 HydrophobicContact CD1-CG 4.26Å; F2352-Q2356 HydrophobicContact CE1-CG 3.75Å; F2352-Q2356 HydrophobicContact CZ-CG 3.93Å; F2352-Q2356 WeakPolarHBondContact O-CG 3.37Å; F2352-Q2356 PolarHBondContact O-N 3.12Å; F2352-I2386 HydrophobicContact CE1-CD1 4.38Å; F2352-I2386 HydrophobicContact CE1-CG2 4.31Å; F2352-I2386 HydrophobicContact CE2-CD1 3.69Å; F2352-I2386 HydrophobicContact CZ-CD1 3.56Å; F2352-I2386 HydrophobicContact CZ-CG2 3.96Å; F2352-V2389 HydrophobicContact CE2-CG2 4.46Å; F2352-V2389 HydrophobicContact CZ-CG2 3.94Å |
| 2353 | N | 84.8 | Confident | 78.5 | Confident | 88.6667 Ų | 88.6667 | 61.9 Ų | 61.9 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.5 | -70.1 | -22 | 0 | 0 | 0 | 112.2 | Q2349 K2350 V2351 V2355 Q2356 E2357 | Q2349-N2353 PolarHBondContact O-N 3.07Å; Q2349-N2353 PolarHBondContact O-ND2 3.25Å; K2350-N2353 PolarHBondContact O-N 3.12Å; V2351-N2353 PolarHBondContact O-N 3.44Å; N2353-V2355 VanDerWaalsContact C-N 3.34Å; N2353-V2355 PolarHBondContact O-N 2.92Å; N2353-Q2356 PolarHBondContact O-N 3.2Å; N2353-E2357 PolarHBondContact O-N 3.12Å |
| 2354 | E | 85.2 | Confident | 80.2 | Confident | 82 Ų | 82 | 61 Ų | 61 | 38% | 0.383 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 174.3 | -70.8 | 171.8 | -160.8 | 0 | 0 | 111.9 | K2291 K2350 V2351 F2352 Q2356 E2357 L2358 | K2291-E2354 HydrophobicContact CD-CB 4.27Å; K2291-E2354 WeakPolarHBondContact CD-OE2 3.43Å; K2291-E2354 WeakPolarHBondContact CE-OE2 3.3Å; K2291-E2354 IonicContact NZ-OE1 2.76Å; K2291-E2354 IonicContact NZ-OE2 3.27Å; K2291-E2354 PolarHBondContact NZ-OE2 2.92Å; K2350-E2354 WeakPolarHBondContact CE-OE1 3.32Å; K2350-E2354 WeakPolarHBondContact O-CG 3.29Å; K2350-E2354 PolarHBondContact O-N 3.14Å; V2351-E2354 WeakPolarHBondContact O-CB 3.44Å; V2351-E2354 PolarHBondContact O-N 3.21Å; F2352-E2354 VanDerWaalsContact C-N 3.34Å; F2352-E2354 PolarHBondContact O-N 3.26Å; E2354-Q2356 VanDerWaalsContact C-N 3.32Å; E2354-Q2356 PolarHBondContact O-N 3.42Å; E2354-E2357 PolarHBondContact O-N 3.22Å; E2354-L2358 WeakPolarHBondContact O-CB 3.4Å; E2354-L2358 WeakPolarHBondContact O-CG 3.45Å; E2354-L2358 PolarHBondContact O-N 3.09Å |
| 2355 | V | 86.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.4 | 167.6 | 0 | 0 | 0 | 0 | 111.4 | I2290 K2291 L2294 Y2322 V2351 F2352 N2353 L2358 M2359 | I2290-V2355 HydrophobicContact CG2-CG2 4.4Å; K2291-V2355 HydrophobicContact CG-CG2 3.8Å; L2294-V2355 HydrophobicContact CD1-CG1 3.62Å; Y2322-V2355 HydrophobicContact CD1-CG1 4.16Å; Y2322-V2355 HydrophobicContact CD1-CG2 4.45Å; Y2322-V2355 HydrophobicContact CE1-CB 4.36Å; Y2322-V2355 HydrophobicContact CE1-CG1 4.37Å; Y2322-V2355 HydrophobicContact CE1-CG2 4.06Å; V2351-V2355 HydrophobicContact CG1-CG2 4.44Å; V2351-V2355 WeakPolarHBondContact O-CG2 3.31Å; V2351-V2355 PolarHBondContact O-N 3.26Å; F2352-V2355 PolarHBondContact O-N 3.32Å; N2353-V2355 VanDerWaalsContact C-N 3.34Å; N2353-V2355 PolarHBondContact O-N 2.92Å; V2355-L2358 PolarHBondContact O-N 3.2Å; V2355-M2359 PolarHBondContact O-N 3.3Å |
| 2356 | Q | 87.5 | Confident | 83.2 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 177 | -93.2 | -20.3 | -35.1 | 0 | 0 | 112 | W2319 F2352 N2353 E2354 M2359 R2360 T2388 T2392 | W2319-Q2356 VanDerWaalsContact NE1-NE2 3.19Å; F2352-Q2356 HydrophobicContact CD1-CG 4.26Å; F2352-Q2356 HydrophobicContact CE1-CG 3.75Å; F2352-Q2356 HydrophobicContact CZ-CG 3.93Å; F2352-Q2356 WeakPolarHBondContact O-CG 3.37Å; F2352-Q2356 PolarHBondContact O-N 3.12Å; N2353-Q2356 PolarHBondContact O-N 3.2Å; E2354-Q2356 VanDerWaalsContact C-N 3.32Å; E2354-Q2356 PolarHBondContact O-N 3.42Å; Q2356-M2359 PolarHBondContact O-N 3.06Å; Q2356-R2360 PolarHBondContact O-N 3.17Å; Q2356-T2388 PolarHBondContact NE2-O 3.17Å; Q2356-T2392 PolarHBondContact NE2-OG1 3.47Å |
| 2357 | E | 88.2 | Confident | 84.4 | Confident | 83.3333 Ų | 83.3333 | 53.8 Ų | 53.8 | 39% | 0.389 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 177 | -177.2 | 55.7 | -160.3 | 0 | 0 | 111.7 | N2353 E2354 M2359 R2360 I2361 | N2353-E2357 PolarHBondContact O-N 3.12Å; E2354-E2357 PolarHBondContact O-N 3.22Å; E2357-M2359 VanDerWaalsContact C-N 3.31Å; E2357-M2359 PolarHBondContact O-N 3.24Å; E2357-R2360 VanDerWaalsContact CD-NE 3.33Å; E2357-R2360 WeakPolarHBondContact O-CB 3.3Å; E2357-R2360 PolarHBondContact O-N 3.07Å; E2357-R2360 VanDerWaalsContact O-N 3.13Å; E2357-R2360 IonicContact OE1-CZ 2.71Å; E2357-R2360 VanDerWaalsContact OE1-CZ 3.25Å; E2357-R2360 IonicContact OE1-NE 3.52Å; E2357-R2360 PolarHBondContact OE1-NE 3.18Å; E2357-R2360 VanDerWaalsContact OE1-NE 3.08Å; E2357-R2360 IonicContact OE1-NH2 2.75Å; E2357-R2360 PolarHBondContact OE1-NH2 3.08Å; E2357-R2360 IonicContact OE2-CZ 3.06Å; E2357-R2360 IonicContact OE2-NE 3.23Å; E2357-R2360 PolarHBondContact OE2-NE 3.25Å; E2357-R2360 IonicContact OE2-NH2 3.35Å; E2357-I2361 HydrophobicContact CG-CD1 4.38Å; E2357-I2361 WeakPolarHBondContact O-CG1 3.27Å; E2357-I2361 PolarHBondContact O-N 3.34Å |
| 2358 | L | 88.7 | Confident | 85.4 | Confident | 27.3333 Ų | 27.3333 | 52.2 Ų | 52.2 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 172.5 | -144.9 | 165.5 | 0 | 0 | 0 | 111.3 | K2291 L2294 Q2295 E2354 V2355 R2360 I2361 N2362 | K2291-L2358 HydrophobicContact CB-CD1 4.32Å; K2291-L2358 HydrophobicContact CG-CD1 4.28Å; K2291-L2358 VanDerWaalsContact O-CD1 3.32Å; K2291-L2358 WeakPolarHBondContact O-CD1 3.44Å; L2294-L2358 HydrophobicContact CB-CD1 4.42Å; L2294-L2358 HydrophobicContact CB-CD2 3.53Å; L2294-L2358 VanDerWaalsContact CB-CD2 3.41Å; L2294-L2358 HydrophobicContact CD1-CD2 4.46Å; Q2295-L2358 HydrophobicContact CB-CD1 4.05Å; E2354-L2358 WeakPolarHBondContact O-CB 3.4Å; E2354-L2358 WeakPolarHBondContact O-CG 3.45Å; E2354-L2358 PolarHBondContact O-N 3.09Å; V2355-L2358 PolarHBondContact O-N 3.2Å; L2358-R2360 VanDerWaalsContact C-N 3.33Å; L2358-R2360 PolarHBondContact O-N 3.18Å; L2358-I2361 PolarHBondContact O-N 3.16Å; L2358-N2362 VanDerWaalsContact CD2-ND2 3.29Å; L2358-N2362 WeakPolarHBondContact CD2-ND2 3.47Å; L2358-N2362 WeakPolarHBondContact O-CB 3.34Å; L2358-N2362 VanDerWaalsContact O-CG 3.31Å; L2358-N2362 PolarHBondContact O-N 3.13Å |
| 2359 | M | 90.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -37.9 | 176 | -169.1 | 62.1 | -166.4 | 0 | 0 | 111.7 | L2315 L2316 W2319 V2355 Q2356 E2357 I2361 N2362 C2363 F2371 | L2315-M2359 HydrophobicContact CD2-CE 4.35Å; L2315-M2359 HydrophobicContact CD2-SD 4.47Å; L2316-M2359 HydrophobicContact CD2-CE 4.02Å; W2319-M2359 HydrophobicContact CB-SD 4.49Å; W2319-M2359 HydrophobicContact CD2-CE 4.34Å; W2319-M2359 HydrophobicContact CD2-CG 3.77Å; W2319-M2359 HydrophobicContact CD2-SD 4.19Å; W2319-M2359 HydrophobicContact CE3-CE 3.98Å; W2319-M2359 HydrophobicContact CE3-CG 4.16Å; W2319-M2359 HydrophobicContact CE3-SD 4.3Å; W2319-M2359 HydrophobicContact CG-CG 4.12Å; W2319-M2359 HydrophobicContact CG-SD 4.31Å; W2319-M2359 HydrophobicContact CH2-CG 4.38Å; W2319-M2359 HydrophobicContact CZ2-CG 4.03Å; W2319-M2359 HydrophobicContact CZ3-CE 4.17Å; W2319-M2359 HydrophobicContact CZ3-CG 4.44Å; V2355-M2359 PolarHBondContact O-N 3.3Å; Q2356-M2359 PolarHBondContact O-N 3.06Å; E2357-M2359 VanDerWaalsContact C-N 3.31Å; E2357-M2359 PolarHBondContact O-N 3.24Å; M2359-I2361 VanDerWaalsContact C-N 3.33Å; M2359-I2361 PolarHBondContact O-N 3.16Å; M2359-N2362 PolarHBondContact O-N 3.21Å; M2359-N2362 HydrophobicContact SD-CB 4.44Å; M2359-C2363 WeakPolarHBondContact O-CB 3.28Å; M2359-C2363 PolarHBondContact O-N 3.01Å; M2359-C2363 PolarHBondContact O-SG 3.16Å; M2359-F2371 HydrophobicContact CE-CE1 4.18Å; M2359-F2371 HydrophobicContact CE-CZ 4.28Å |
| 2360 | R | 89.4 | Confident | 86.9 | Confident | 100.333 Ų | 100.333 | 44.8 Ų | 44.8 | 38% | 0.379 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 174.9 | -165.3 | -167.1 | 68.6 | 70.8 | 2 | 111.7 | Q2356 E2357 L2358 C2363 Q2364 | Q2356-R2360 PolarHBondContact O-N 3.17Å; E2357-R2360 VanDerWaalsContact CD-NE 3.33Å; E2357-R2360 WeakPolarHBondContact O-CB 3.3Å; E2357-R2360 PolarHBondContact O-N 3.07Å; E2357-R2360 VanDerWaalsContact O-N 3.13Å; E2357-R2360 IonicContact OE1-CZ 2.71Å; E2357-R2360 VanDerWaalsContact OE1-CZ 3.25Å; E2357-R2360 IonicContact OE1-NE 3.52Å; E2357-R2360 PolarHBondContact OE1-NE 3.18Å; E2357-R2360 VanDerWaalsContact OE1-NE 3.08Å; E2357-R2360 IonicContact OE1-NH2 2.75Å; E2357-R2360 PolarHBondContact OE1-NH2 3.08Å; E2357-R2360 IonicContact OE2-CZ 3.06Å; E2357-R2360 IonicContact OE2-NE 3.23Å; E2357-R2360 PolarHBondContact OE2-NE 3.25Å; E2357-R2360 IonicContact OE2-NH2 3.35Å; L2358-R2360 VanDerWaalsContact C-N 3.33Å; L2358-R2360 PolarHBondContact O-N 3.18Å; R2360-C2363 WeakPolarHBondContact O-CB 3.46Å; R2360-C2363 PolarHBondContact O-N 2.81Å; R2360-Q2364 VanDerWaalsContact NH1-CD 3.33Å; R2360-Q2364 VanDerWaalsContact NH1-NE2 3.11Å; R2360-Q2364 WeakPolarHBondContact O-CG 3.29Å; R2360-Q2364 PolarHBondContact O-N 3.33Å; R2360-Q2364 VanDerWaalsContact O-N 3.17Å |
| 2361 | I | 90.7 | Very high | 87.4 | Confident | 72.6667 Ų | 72.6667 | 39 Ų | 39 | 37% | 0.373 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.9 | -48.4 | 175.2 | -65.8 | 165.2 | 0 | 0 | 0 | 110.5 | E2357 L2358 M2359 C2363 Q2364 R2365 | E2357-I2361 HydrophobicContact CG-CD1 4.38Å; E2357-I2361 WeakPolarHBondContact O-CG1 3.27Å; E2357-I2361 PolarHBondContact O-N 3.34Å; L2358-I2361 PolarHBondContact O-N 3.16Å; M2359-I2361 VanDerWaalsContact C-N 3.33Å; M2359-I2361 PolarHBondContact O-N 3.16Å; I2361-C2363 VanDerWaalsContact C-N 3.32Å; I2361-C2363 PolarHBondContact O-N 3Å; I2361-Q2364 PolarHBondContact O-N 3.06Å; I2361-Q2364 VanDerWaalsContact O-N 3.11Å; I2361-R2365 WeakPolarHBondContact O-CB 3.4Å; I2361-R2365 PolarHBondContact O-N 3.05Å; I2361-R2365 VanDerWaalsContact O-N 3.08Å |
| 2362 | N | 89.6 | Confident | 87.9 | Confident | 5.33333 Ų | 5.33333 | 38.4 Ų | 38.4 | 3% | 0.029 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 178.4 | -78.1 | -13.6 | 0 | 0 | 0 | 112.1 | L2294 L2358 M2359 Q2364 R2365 I2366 | L2294-N2362 PolarHBondContact O-ND2 3.21Å; L2358-N2362 VanDerWaalsContact CD2-ND2 3.29Å; L2358-N2362 WeakPolarHBondContact CD2-ND2 3.47Å; L2358-N2362 WeakPolarHBondContact O-CB 3.34Å; L2358-N2362 VanDerWaalsContact O-CG 3.31Å; L2358-N2362 PolarHBondContact O-N 3.13Å; M2359-N2362 PolarHBondContact O-N 3.21Å; M2359-N2362 HydrophobicContact SD-CB 4.44Å; N2362-Q2364 VanDerWaalsContact C-N 3.31Å; N2362-Q2364 PolarHBondContact O-N 3.44Å; N2362-R2365 PolarHBondContact O-N 3.03Å; N2362-I2366 HydrophobicContact CB-CD1 4.23Å; N2362-I2366 WeakPolarHBondContact O-CB 3.36Å; N2362-I2366 WeakPolarHBondContact O-CD1 3.47Å; N2362-I2366 VanDerWaalsContact O-CG1 3.3Å; N2362-I2366 WeakPolarHBondContact O-CG1 3.4Å; N2362-I2366 PolarHBondContact O-N 3.27Å |
| 2363 | C | 89.1 | Confident | 88.1 | Confident | 12.6667 Ų | 12.6667 | 39.4 Ų | 39.4 | 9% | 0.086 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.8 | -49.7 | 172.7 | -77.4 | 0 | 0 | 0 | 0 | 110.2 | M2359 R2360 I2361 R2365 R2399 | M2359-C2363 WeakPolarHBondContact O-CB 3.28Å; M2359-C2363 PolarHBondContact O-N 3.01Å; M2359-C2363 PolarHBondContact O-SG 3.16Å; R2360-C2363 WeakPolarHBondContact O-CB 3.46Å; R2360-C2363 PolarHBondContact O-N 2.81Å; I2361-C2363 VanDerWaalsContact C-N 3.32Å; I2361-C2363 PolarHBondContact O-N 3Å; C2363-R2365 VanDerWaalsContact C-N 3.35Å; C2363-R2365 PolarHBondContact O-N 3.35Å; C2363-R2399 VanDerWaalsContact C-NH1 3.29Å; C2363-R2399 PolarHBondContact O-NH1 3.26Å; C2363-R2399 PolarHBondContact O-NH2 3.42Å |
| 2364 | Q | 88.2 | Confident | 88.3 | Confident | 123.667 Ų | 123.667 | 35.2 Ų | 35.2 | 58% | 0.578 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -63.8 | -39.5 | -179.7 | -70.7 | -179.2 | -23.7 | 0 | 0 | 113.2 | R2360 I2361 N2362 R2399 | R2360-Q2364 VanDerWaalsContact NH1-CD 3.33Å; R2360-Q2364 VanDerWaalsContact NH1-NE2 3.11Å; R2360-Q2364 WeakPolarHBondContact O-CG 3.29Å; R2360-Q2364 PolarHBondContact O-N 3.33Å; R2360-Q2364 VanDerWaalsContact O-N 3.17Å; I2361-Q2364 PolarHBondContact O-N 3.06Å; I2361-Q2364 VanDerWaalsContact O-N 3.11Å; N2362-Q2364 VanDerWaalsContact C-N 3.31Å; N2362-Q2364 PolarHBondContact O-N 3.44Å; Q2364-R2399 PolarHBondContact O-NH2 2.95Å |
| 2365 | R | 86.8 | Confident | 88.5 | Confident | 113 Ų | 113 | 31.5 Ų | 31.5 | 43% | 0.426 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -76 | -40.4 | -174.9 | -145.6 | -177.4 | 172.7 | 153 | 5.2 | 114.3 | L2299 S2302 Y2303 I2361 N2362 C2363 | L2299-R2365 VanDerWaalsContact CD2-CZ 3.41Å; L2299-R2365 VanDerWaalsContact CD2-NH2 3.29Å; S2302-R2365 PolarHBondContact OG-NE 3.24Å; S2302-R2365 PolarHBondContact OG-NH2 3.44Å; Y2303-R2365 VanDerWaalsContact CE2-NH2 3.29Å; Y2303-R2365 PolarHBondContact OH-NH2 3.45Å; Y2303-R2365 VanDerWaalsContact OH-NH2 3.1Å; I2361-R2365 WeakPolarHBondContact O-CB 3.4Å; I2361-R2365 PolarHBondContact O-N 3.05Å; I2361-R2365 VanDerWaalsContact O-N 3.08Å; N2362-R2365 PolarHBondContact O-N 3.03Å; C2363-R2365 VanDerWaalsContact C-N 3.35Å; C2363-R2365 PolarHBondContact O-N 3.35Å |
| 2366 | I | 88.7 | Confident | 88.3 | Confident | 1.33333 Ų | 1.33333 | 31.9 Ų | 31.9 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -77.1 | 134.1 | -174.3 | -62.9 | 163.9 | 0 | 0 | 0 | 109.9 | L2301 M2312 L2315 N2362 Q2370 F2371 R2399 | L2301-I2366 HydrophobicContact CB-CD1 3.88Å; L2301-I2366 HydrophobicContact CB-CG1 3.86Å; L2301-I2366 HydrophobicContact CB-CG2 4.15Å; L2301-I2366 HydrophobicContact CD1-CD1 3.95Å; M2312-I2366 HydrophobicContact CE-CG2 3.91Å; L2315-I2366 HydrophobicContact CD2-CD1 3.98Å; N2362-I2366 HydrophobicContact CB-CD1 4.23Å; N2362-I2366 WeakPolarHBondContact O-CB 3.36Å; N2362-I2366 WeakPolarHBondContact O-CD1 3.47Å; N2362-I2366 VanDerWaalsContact O-CG1 3.3Å; N2362-I2366 WeakPolarHBondContact O-CG1 3.4Å; N2362-I2366 PolarHBondContact O-N 3.27Å; I2366-Q2370 HydrophobicContact CG2-CB 3.95Å; I2366-Q2370 HydrophobicContact CG2-CG 4.47Å; I2366-F2371 HydrophobicContact CB-CD2 4.35Å; I2366-F2371 HydrophobicContact CB-CE2 3.56Å; I2366-F2371 HydrophobicContact CB-CZ 3.98Å; I2366-F2371 HydrophobicContact CD1-CE1 4.48Å; I2366-F2371 HydrophobicContact CD1-CE2 4.35Å; I2366-F2371 HydrophobicContact CD1-CZ 3.86Å; I2366-F2371 HydrophobicContact CG1-CZ 4.47Å; I2366-F2371 HydrophobicContact CG2-CD2 4.03Å; I2366-F2371 HydrophobicContact CG2-CE2 3.7Å; I2366-F2371 HydrophobicContact CG2-CZ 4.18Å; I2366-R2399 PolarHBondContact O-NH2 3.32Å |
| 2367 | P | 87.1 | Confident | 88.2 | Confident | 29.6667 Ų | 29.6667 | 32 Ų | 32 | 19% | 0.193 | 15% | 0.151 | C | C | . | . | trans | -57.5 | 142 | 175.6 | -24.8 | 33.4 | 0 | 0 | 0 | 113.2 | Y2369 Q2370 I2516 | P2367-Y2369 VanDerWaalsContact C-N 3.32Å; P2367-Y2369 HydrophobicContact CB-CD1 3.61Å; P2367-Y2369 HydrophobicContact CB-CE1 3.41Å; P2367-Y2369 VanDerWaalsContact CB-CE1 3.44Å; P2367-Y2369 HydrophobicContact CG-CE1 4.07Å; P2367-Y2369 PolarHBondContact O-N 3.22Å; P2367-Q2370 HydrophobicContact CB-CG 4.36Å; P2367-Q2370 WeakPolarHBondContact O-CB 3.35Å; P2367-Q2370 PolarHBondContact O-N 2.88Å; P2367-Q2370 VanDerWaalsContact O-N 3.1Å; P2367-I2516 HydrophobicContact CG-CG2 3.76Å | ||
| 2368 | V | 88.8 | Confident | 88.2 | Confident | 20.6667 Ų | 20.6667 | 28 Ų | 28 | 13% | 0.125 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.5 | -35.7 | -172.4 | -174 | 0 | 0 | 0 | 0 | 112.8 | Q2370 F2371 Y2372 R2399 I2400 T2403 Y2404 | V2368-Q2370 PolarHBondContact O-N 3.1Å; V2368-F2371 PolarHBondContact O-N 2.94Å; V2368-F2371 VanDerWaalsContact O-N 3.13Å; V2368-Y2372 PolarHBondContact O-N 3.03Å; V2368-Y2372 VanDerWaalsContact O-N 3.11Å; V2368-R2399 HydrophobicContact CG1-CG 4.42Å; V2368-R2399 HydrophobicContact CG2-CG 4.04Å; V2368-I2400 HydrophobicContact CG1-CB 4.23Å; V2368-I2400 HydrophobicContact CG1-CG1 3.88Å; V2368-T2403 HydrophobicContact CB-CG2 4.35Å; V2368-T2403 HydrophobicContact CG1-CG2 4.43Å; V2368-Y2404 HydrophobicContact CB-CE2 4.42Å; V2368-Y2404 HydrophobicContact CG1-CD2 4.48Å; V2368-Y2404 HydrophobicContact CG1-CE2 4.21Å |
| 2369 | Y | 86.4 | Confident | 88.2 | Confident | 7.66667 Ų | 7.66667 | 27.3 Ų | 27.3 | 3% | 0.03 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -28.3 | 178.4 | 78 | -92.8 | 0 | 0 | 0 | 112.6 | P2367 Y2372 T2373 Y2404 H2519 P2521 | P2367-Y2369 VanDerWaalsContact C-N 3.32Å; P2367-Y2369 HydrophobicContact CB-CD1 3.61Å; P2367-Y2369 HydrophobicContact CB-CE1 3.41Å; P2367-Y2369 VanDerWaalsContact CB-CE1 3.44Å; P2367-Y2369 HydrophobicContact CG-CE1 4.07Å; P2367-Y2369 PolarHBondContact O-N 3.22Å; Y2369-Y2372 WeakPolarHBondContact O-CB 3.31Å; Y2369-Y2372 PolarHBondContact O-N 3.2Å; Y2369-T2373 PolarHBondContact O-N 3.22Å; Y2369-Y2404 WeakPolarHBondContact CB-OH 3.28Å; Y2369-H2519 HydrophobicContact CE1-CB 4.5Å; Y2369-P2521 HydrophobicContact CD2-CB 4.26Å; Y2369-P2521 HydrophobicContact CG-CB 4.17Å; Y2369-P2521 HydrophobicContact CG-CG 4.49Å |
| 2370 | Q | 87.8 | Confident | 87.9 | Confident | 0.666667 Ų | 0.666667 | 28.2 Ų | 28.2 | 0% | 0.003 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.9 | -40.7 | 178 | -60.6 | -167.6 | 15.8 | 0 | 0 | 111 | L2301 G2304 I2308 M2312 I2366 P2367 V2368 Y2372 T2373 | L2301-Q2370 VanDerWaalsContact CD2-OE1 3.29Å; L2301-Q2370 VanDerWaalsContact O-CD 3.28Å; L2301-Q2370 PolarHBondContact O-NE2 2.9Å; L2301-Q2370 PolarHBondContact O-OE1 3.2Å; G2304-Q2370 PolarHBondContact O-NE2 3.16Å; G2304-Q2370 VanDerWaalsContact O-NE2 3.07Å; I2308-Q2370 HydrophobicContact CD1-CB 3.69Å; I2308-Q2370 HydrophobicContact CD1-CG 3.75Å; I2308-Q2370 HydrophobicContact CG1-CB 4.5Å; M2312-Q2370 VanDerWaalsContact CE-C 3.46Å; M2312-Q2370 HydrophobicContact CE-CB 3.67Å; M2312-Q2370 WeakPolarHBondContact CE-O 3.43Å; I2366-Q2370 HydrophobicContact CG2-CB 3.95Å; I2366-Q2370 HydrophobicContact CG2-CG 4.47Å; P2367-Q2370 HydrophobicContact CB-CG 4.36Å; P2367-Q2370 WeakPolarHBondContact O-CB 3.35Å; P2367-Q2370 PolarHBondContact O-N 2.88Å; P2367-Q2370 VanDerWaalsContact O-N 3.1Å; V2368-Q2370 PolarHBondContact O-N 3.1Å; Q2370-Y2372 VanDerWaalsContact C-N 3.28Å; Q2370-Y2372 PolarHBondContact O-N 3.38Å; Q2370-T2373 WeakPolarHBondContact O-CB 3.39Å; Q2370-T2373 PolarHBondContact O-N 3.12Å; Q2370-T2373 VanDerWaalsContact O-N 3.16Å; Q2370-T2373 PolarHBondContact O-OG1 2.95Å |
| 2371 | F | 90.5 | Very high | 87.6 | Confident | 0.333333 Ų | 0.333333 | 25.1 Ų | 25.1 | 0% | 0.001 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.9 | -32.9 | 173.2 | -74 | -71.9 | 0 | 0 | 0 | 112.5 | M2312 M2359 I2366 V2368 T2373 A2374 L2375 L2396 R2399 I2400 | M2312-F2371 HydrophobicContact CE-CD1 3.6Å; M2312-F2371 HydrophobicContact CE-CE1 3.86Å; M2312-F2371 HydrophobicContact CE-CG 4.13Å; M2312-F2371 HydrophobicContact CE-CZ 4.44Å; M2312-F2371 HydrophobicContact SD-CD1 3.77Å; M2312-F2371 HydrophobicContact SD-CE1 3.95Å; M2312-F2371 HydrophobicContact SD-CG 4.46Å; M2359-F2371 HydrophobicContact CE-CE1 4.18Å; M2359-F2371 HydrophobicContact CE-CZ 4.28Å; I2366-F2371 HydrophobicContact CB-CD2 4.35Å; I2366-F2371 HydrophobicContact CB-CE2 3.56Å; I2366-F2371 HydrophobicContact CB-CZ 3.98Å; I2366-F2371 HydrophobicContact CD1-CE1 4.48Å; I2366-F2371 HydrophobicContact CD1-CE2 4.35Å; I2366-F2371 HydrophobicContact CD1-CZ 3.86Å; I2366-F2371 HydrophobicContact CG1-CZ 4.47Å; I2366-F2371 HydrophobicContact CG2-CD2 4.03Å; I2366-F2371 HydrophobicContact CG2-CE2 3.7Å; I2366-F2371 HydrophobicContact CG2-CZ 4.18Å; V2368-F2371 PolarHBondContact O-N 2.94Å; V2368-F2371 VanDerWaalsContact O-N 3.13Å; F2371-T2373 PolarHBondContact O-N 3.06Å; F2371-A2374 CarbonylContact O-C 3.57Å; F2371-A2374 PolarHBondContact O-N 3.36Å; F2371-L2375 PolarHBondContact O-N 3.28Å; F2371-L2375 VanDerWaalsContact O-N 3.16Å; F2371-L2396 HydrophobicContact CB-CD1 4.31Å; F2371-L2396 HydrophobicContact CD1-CD1 3.95Å; F2371-L2396 HydrophobicContact CD1-CD2 3.68Å; F2371-L2396 HydrophobicContact CD1-CG 4.32Å; F2371-L2396 HydrophobicContact CD2-CD1 3.77Å; F2371-L2396 HydrophobicContact CE1-CD1 4.13Å; F2371-L2396 HydrophobicContact CE1-CD2 3.84Å; F2371-L2396 HydrophobicContact CE1-CG 4.47Å; F2371-L2396 HydrophobicContact CE2-CD1 3.92Å; F2371-L2396 HydrophobicContact CG-CD1 3.77Å; F2371-L2396 HydrophobicContact CG-CD2 4.28Å; F2371-L2396 HydrophobicContact CG-CG 4.44Å; F2371-L2396 HydrophobicContact CZ-CD1 4.12Å; F2371-L2396 HydrophobicContact CZ-CD2 4.5Å; F2371-R2399 VanDerWaalsContact CE2-NH2 3.27Å; F2371-I2400 HydrophobicContact CB-CD1 3.82Å; F2371-I2400 HydrophobicContact CB-CG1 4.16Å |
| 2372 | Y | 89.9 | Confident | 87.4 | Confident | 9.33333 Ų | 9.33333 | 21.8 Ų | 21.8 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.6 | -34.9 | 174.8 | -178.7 | -84.3 | 0 | 0 | 0 | 112 | V2368 Y2369 Q2370 A2374 L2375 I2400 Y2404 Q2407 F2411 L2502 P2504 F2522 | V2368-Y2372 PolarHBondContact O-N 3.03Å; V2368-Y2372 VanDerWaalsContact O-N 3.11Å; Y2369-Y2372 WeakPolarHBondContact O-CB 3.31Å; Y2369-Y2372 PolarHBondContact O-N 3.2Å; Q2370-Y2372 VanDerWaalsContact C-N 3.28Å; Q2370-Y2372 PolarHBondContact O-N 3.38Å; Y2372-A2374 PolarHBondContact O-N 3.07Å; Y2372-A2374 VanDerWaalsContact O-N 3.11Å; Y2372-L2375 HydrophobicContact CD2-CD2 4.14Å; Y2372-L2375 HydrophobicContact CE2-CD2 3.96Å; Y2372-L2375 WeakPolarHBondContact O-CB 3.3Å; Y2372-L2375 PolarHBondContact O-N 2.94Å; Y2372-L2375 VanDerWaalsContact O-N 3.09Å; Y2372-I2400 HydrophobicContact CD2-CG2 3.71Å; Y2372-I2400 HydrophobicContact CG-CG2 4.43Å; Y2372-Y2404 HydrophobicContact CD2-CD2 4.38Å; Y2372-Q2407 HydrophobicContact CE2-CB 4Å; Y2372-Q2407 VanDerWaalsContact OH-CB 3.3Å; Y2372-Q2407 WeakPolarHBondContact OH-CB 3.27Å; Y2372-F2411 VanDerWaalsContact OH-CE2 3.28Å; Y2372-F2411 WeakPolarHBondContact OH-CE2 3.23Å; Y2372-L2502 VanDerWaalsContact CE1-O 3.27Å; Y2372-L2502 WeakPolarHBondContact CE1-O 3.31Å; Y2372-L2502 PolarHBondContact OH-O 2.94Å; Y2372-P2504 HydrophobicContact CD1-CG 4.17Å; Y2372-F2522 HydrophobicContact CD1-CE1 4.26Å; Y2372-F2522 AromaticContact CD1-CZ 3.65Å; Y2372-F2522 HydrophobicContact CD1-CZ 3.88Å; Y2372-F2522 HydrophobicContact CD2-CZ 4.26Å; Y2372-F2522 AromaticContact CE1-CE1 3.74Å; Y2372-F2522 HydrophobicContact CE1-CE1 3.74Å; Y2372-F2522 AromaticContact CE1-CZ 3.66Å; Y2372-F2522 HydrophobicContact CE1-CZ 3.66Å; Y2372-F2522 VanDerWaalsContact CE1-CZ 3.46Å; Y2372-F2522 HydrophobicContact CE2-CZ 4.21Å; Y2372-F2522 HydrophobicContact CG-CZ 4.28Å; Y2372-F2522 AromaticContact CZ-CE1 3.99Å; Y2372-F2522 AromaticContact CZ-CZ 3.84Å |
| 2373 | T | 86.4 | Confident | 87 | Confident | 29 Ų | 29 | 22.8 Ų | 22.8 | 18% | 0.178 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.2 | 176.7 | 69.2 | 0 | 0 | 0 | 0 | 114 | I2308 Y2369 Q2370 F2371 P2504 | I2308-T2373 HydrophobicContact CD1-CG2 3.79Å; Y2369-T2373 PolarHBondContact O-N 3.22Å; Q2370-T2373 WeakPolarHBondContact O-CB 3.39Å; Q2370-T2373 PolarHBondContact O-N 3.12Å; Q2370-T2373 VanDerWaalsContact O-N 3.16Å; Q2370-T2373 PolarHBondContact O-OG1 2.95Å; F2371-T2373 PolarHBondContact O-N 3.06Å; T2373-P2504 HydrophobicContact CG2-CG 3.64Å |
| 2374 | A | 87.5 | Confident | 86.7 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 18.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M2312 L2316 F2371 Y2372 S2376 Q2377 L2378 | M2312-A2374 HydrophobicContact CE-CB 4.42Å; M2312-A2374 HydrophobicContact CG-CB 3.78Å; L2316-A2374 HydrophobicContact CD1-CB 3.55Å; F2371-A2374 CarbonylContact O-C 3.57Å; F2371-A2374 PolarHBondContact O-N 3.36Å; Y2372-A2374 PolarHBondContact O-N 3.07Å; Y2372-A2374 VanDerWaalsContact O-N 3.11Å; A2374-S2376 VanDerWaalsContact C-N 3.28Å; A2374-S2376 PolarHBondContact O-N 3.27Å; A2374-Q2377 HydrophobicContact CB-CB 4.46Å; A2374-Q2377 HydrophobicContact CB-CG 4.31Å; A2374-Q2377 WeakPolarHBondContact O-CA 3.45Å; A2374-Q2377 WeakPolarHBondContact O-CB 3.41Å; A2374-Q2377 PolarHBondContact O-N 3.06Å; A2374-L2378 WeakPolarHBondContact O-CG 3.44Å; A2374-L2378 PolarHBondContact O-N 2.97Å |
| 2375 | L | 89.5 | Confident | 86.3 | Confident | 2.66667 Ų | 2.66667 | 23.1 Ų | 23.1 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -53.7 | -44.3 | -179.9 | 176.6 | 61.9 | 0 | 0 | 0 | 111.1 | F2371 Y2372 Q2377 L2378 L2379 I2400 T2408 F2411 | F2371-L2375 PolarHBondContact O-N 3.28Å; F2371-L2375 VanDerWaalsContact O-N 3.16Å; Y2372-L2375 HydrophobicContact CD2-CD2 4.14Å; Y2372-L2375 HydrophobicContact CE2-CD2 3.96Å; Y2372-L2375 WeakPolarHBondContact O-CB 3.3Å; Y2372-L2375 PolarHBondContact O-N 2.94Å; Y2372-L2375 VanDerWaalsContact O-N 3.09Å; L2375-Q2377 VanDerWaalsContact C-N 3.29Å; L2375-Q2377 PolarHBondContact O-N 3.05Å; L2375-L2378 WeakPolarHBondContact O-CB 3.11Å; L2375-L2378 PolarHBondContact O-N 3.15Å; L2375-L2378 VanDerWaalsContact O-N 3.16Å; L2375-L2379 HydrophobicContact CD1-CD1 4.13Å; L2375-L2379 HydrophobicContact CD1-CD2 4.27Å; L2375-L2379 HydrophobicContact CD1-CG 3.97Å; L2375-L2379 HydrophobicContact CG-CD1 3.97Å; L2375-L2379 HydrophobicContact CG-CG 4.22Å; L2375-L2379 WeakPolarHBondContact O-CB 3.3Å; L2375-L2379 VanDerWaalsContact O-CG 3.25Å; L2375-L2379 WeakPolarHBondContact O-CG 3.4Å; L2375-L2379 PolarHBondContact O-N 3.45Å; L2375-I2400 HydrophobicContact CD1-CD1 4.2Å; L2375-I2400 HydrophobicContact CD1-CG2 4.5Å; L2375-T2408 HydrophobicContact CD1-CG2 4.44Å; L2375-T2408 HydrophobicContact CD2-CG2 3.92Å; L2375-F2411 HydrophobicContact CD2-CB 3.86Å; L2375-F2411 HydrophobicContact CD2-CD1 4.46Å; L2375-F2411 HydrophobicContact CD2-CD2 3.85Å; L2375-F2411 HydrophobicContact CD2-CG 3.85Å; L2375-F2411 HydrophobicContact CG-CB 4.5Å |
| 2376 | S | 84.5 | Confident | 86.2 | Confident | 8.66667 Ų | 8.66667 | 18.8 Ų | 18.8 | 6% | 0.061 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.9 | -41.4 | 176.9 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | A2374 L2379 S2380 R2576 E2579 | A2374-S2376 VanDerWaalsContact C-N 3.28Å; A2374-S2376 PolarHBondContact O-N 3.27Å; S2376-L2379 PolarHBondContact O-N 2.55Å; S2376-S2380 PolarHBondContact O-N 3.2Å; S2376-S2380 VanDerWaalsContact O-N 3.12Å; S2376-R2576 VanDerWaalsContact O-CZ 3.32Å; S2376-R2576 PolarHBondContact O-NH1 2.8Å; S2376-R2576 PolarHBondContact O-NH2 3.46Å; S2376-R2576 PolarHBondContact OG-NH1 2.85Å; S2376-E2579 VanDerWaalsContact CB-CD 3.49Å; S2376-E2579 WeakPolarHBondContact CB-OE1 3.31Å; S2376-E2579 WeakPolarHBondContact CB-OE2 3.28Å; S2376-E2579 VanDerWaalsContact OG-CD 3.24Å; S2376-E2579 PolarHBondContact OG-OE1 3.01Å; S2376-E2579 PolarHBondContact OG-OE2 3.12Å |
| 2377 | Q | 84.2 | Confident | 86 | Confident | 20.6667 Ų | 20.6667 | 23 Ų | 23 | 10% | 0.097 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.8 | -44.7 | 176.9 | -79.1 | -173.8 | -2.5 | 0 | 0 | 111.2 | P2313 T2317 A2374 L2375 L2379 S2380 R2381 P2795 | P2313-Q2377 VanDerWaalsContact CA-OE1 3.25Å; P2313-Q2377 PolarHBondContact O-NE2 3.22Å; T2317-Q2377 PolarHBondContact OG1-NE2 3.35Å; A2374-Q2377 HydrophobicContact CB-CB 4.46Å; A2374-Q2377 HydrophobicContact CB-CG 4.31Å; A2374-Q2377 WeakPolarHBondContact O-CA 3.45Å; A2374-Q2377 WeakPolarHBondContact O-CB 3.41Å; A2374-Q2377 PolarHBondContact O-N 3.06Å; L2375-Q2377 VanDerWaalsContact C-N 3.29Å; L2375-Q2377 PolarHBondContact O-N 3.05Å; Q2377-L2379 VanDerWaalsContact C-N 3.34Å; Q2377-L2379 PolarHBondContact O-N 3.12Å; Q2377-S2380 PolarHBondContact O-N 3.2Å; Q2377-S2380 PolarHBondContact O-OG 3.16Å; Q2377-R2381 PolarHBondContact O-N 3.33Å; Q2377-P2795 HydrophobicContact CB-CG 3.97Å; Q2377-P2795 HydrophobicContact CG-CG 3.7Å |
| 2378 | L | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.8 | -48.1 | 175.7 | -66 | 172.8 | 0 | 0 | 0 | 111.2 | L2316 A2374 L2375 S2380 R2381 V2382 L2393 L2396 I2397 I2400 | L2316-L2378 HydrophobicContact CD1-CD2 3.72Å; L2316-L2378 HydrophobicContact CD1-CG 4Å; L2316-L2378 HydrophobicContact CD2-CD2 3.64Å; L2316-L2378 HydrophobicContact CG-CD2 4.29Å; A2374-L2378 WeakPolarHBondContact O-CG 3.44Å; A2374-L2378 PolarHBondContact O-N 2.97Å; L2375-L2378 WeakPolarHBondContact O-CB 3.11Å; L2375-L2378 PolarHBondContact O-N 3.15Å; L2375-L2378 VanDerWaalsContact O-N 3.16Å; L2378-S2380 VanDerWaalsContact C-N 3.34Å; L2378-S2380 PolarHBondContact O-N 3.3Å; L2378-R2381 PolarHBondContact O-N 3.12Å; L2378-R2381 VanDerWaalsContact O-N 3.12Å; L2378-V2382 WeakPolarHBondContact O-CG2 3.22Å; L2378-V2382 PolarHBondContact O-N 2.96Å; L2378-L2393 HydrophobicContact CD2-CD1 4.06Å; L2378-L2393 HydrophobicContact CD2-CD2 3.73Å; L2378-L2396 HydrophobicContact CD1-CD2 3.72Å; L2378-L2396 HydrophobicContact CD1-CG 4.24Å; L2378-L2396 HydrophobicContact CD2-CD2 3.85Å; L2378-L2396 HydrophobicContact CG-CD2 4.47Å; L2378-I2397 HydrophobicContact CB-CG1 4.44Å; L2378-I2400 HydrophobicContact CD1-CD1 3.81Å |
| 2379 | L | 87.4 | Confident | 85.8 | Confident | 11 Ų | 11 | 23.7 Ų | 23.7 | 6% | 0.058 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.2 | -36.4 | -179.6 | -69.7 | -176.8 | 0 | 0 | 0 | 112.9 | L2375 S2376 Q2377 R2381 V2382 I2397 F2411 L2412 L2415 | L2375-L2379 HydrophobicContact CD1-CD1 4.13Å; L2375-L2379 HydrophobicContact CD1-CD2 4.27Å; L2375-L2379 HydrophobicContact CD1-CG 3.97Å; L2375-L2379 HydrophobicContact CG-CD1 3.97Å; L2375-L2379 HydrophobicContact CG-CG 4.22Å; L2375-L2379 WeakPolarHBondContact O-CB 3.3Å; L2375-L2379 VanDerWaalsContact O-CG 3.25Å; L2375-L2379 WeakPolarHBondContact O-CG 3.4Å; L2375-L2379 PolarHBondContact O-N 3.45Å; S2376-L2379 PolarHBondContact O-N 2.55Å; Q2377-L2379 VanDerWaalsContact C-N 3.34Å; Q2377-L2379 PolarHBondContact O-N 3.12Å; L2379-R2381 PolarHBondContact O-N 3.3Å; L2379-V2382 HydrophobicContact CD2-CG2 4.35Å; L2379-V2382 WeakPolarHBondContact O-CB 3.45Å; L2379-V2382 VanDerWaalsContact O-CG2 3.31Å; L2379-V2382 WeakPolarHBondContact O-CG2 3.42Å; L2379-V2382 PolarHBondContact O-N 3.31Å; L2379-I2397 HydrophobicContact CD2-CD1 3.87Å; L2379-I2397 HydrophobicContact CD2-CG1 4.31Å; L2379-I2397 HydrophobicContact CD2-CG2 4.28Å; L2379-F2411 HydrophobicContact CD1-CB 3.7Å; L2379-F2411 WeakPolarHBondContact CD1-O 3.43Å; L2379-L2412 HydrophobicContact CD1-CD2 4.43Å; L2379-L2412 HydrophobicContact CD2-CD2 3.58Å; L2379-L2415 HydrophobicContact CB-CD1 4.11Å; L2379-L2415 HydrophobicContact CD1-CD1 4.07Å; L2379-L2415 HydrophobicContact CD2-CD1 3.76Å; L2379-L2415 HydrophobicContact CD2-CD2 4.48Å; L2379-L2415 HydrophobicContact CG-CD1 4.17Å |
| 2380 | S | 83.4 | Confident | 85.9 | Confident | 20.3333 Ų | 20.3333 | 23.4 Ų | 23.4 | 14% | 0.142 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -25.2 | 177.3 | 73.4 | 0 | 0 | 0 | 0 | 113.5 | S2376 Q2377 L2378 | S2376-S2380 PolarHBondContact O-N 3.2Å; S2376-S2380 VanDerWaalsContact O-N 3.12Å; Q2377-S2380 PolarHBondContact O-N 3.2Å; Q2377-S2380 PolarHBondContact O-OG 3.16Å; L2378-S2380 VanDerWaalsContact C-N 3.34Å; L2378-S2380 PolarHBondContact O-N 3.3Å |
| 2381 | R | 84.8 | Confident | 86 | Confident | 36.6667 Ų | 36.6667 | 27.8 Ų | 27.8 | 14% | 0.138 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 11.7 | -175.2 | -65.2 | -74.8 | -165.6 | 115 | 14.8 | 113.5 | L2320 D2321 Q2324 Q2377 L2378 L2379 C2383 H2384 L2393 F2798 | L2320-R2381 HydrophobicContact CD1-CB 3.82Å; L2320-R2381 HydrophobicContact CD1-CG 3.84Å; D2321-R2381 IonicContact OD1-CZ 3.12Å; D2321-R2381 IonicContact OD1-NH1 3.33Å; D2321-R2381 PolarHBondContact OD1-NH1 3.13Å; D2321-R2381 IonicContact OD1-NH2 3.71Å; D2321-R2381 PolarHBondContact OD1-NH2 3.06Å; Q2324-R2381 VanDerWaalsContact NE2-NH1 3.11Å; Q2377-R2381 PolarHBondContact O-N 3.33Å; L2378-R2381 PolarHBondContact O-N 3.12Å; L2378-R2381 VanDerWaalsContact O-N 3.12Å; L2379-R2381 PolarHBondContact O-N 3.3Å; R2381-C2383 PolarHBondContact O-N 3.04Å; R2381-C2383 VanDerWaalsContact O-N 3.14Å; R2381-H2384 WeakPolarHBondContact O-CB 3.36Å; R2381-H2384 PolarHBondContact O-N 3Å; R2381-H2384 VanDerWaalsContact O-N 3.11Å; R2381-L2393 WeakPolarHBondContact O-CD1 3.27Å; R2381-F2798 VanDerWaalsContact CZ-CE1 3.47Å; R2381-F2798 VanDerWaalsContact NE-CG 3.31Å |
| 2382 | V | 84.8 | Confident | 86 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -23.6 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 113.2 | L2378 L2379 H2384 L2393 I2397 L2415 R2426 | L2378-V2382 WeakPolarHBondContact O-CG2 3.22Å; L2378-V2382 PolarHBondContact O-N 2.96Å; L2379-V2382 HydrophobicContact CD2-CG2 4.35Å; L2379-V2382 WeakPolarHBondContact O-CB 3.45Å; L2379-V2382 VanDerWaalsContact O-CG2 3.31Å; L2379-V2382 WeakPolarHBondContact O-CG2 3.42Å; L2379-V2382 PolarHBondContact O-N 3.31Å; V2382-H2384 VanDerWaalsContact C-N 3.3Å; V2382-H2384 PolarHBondContact O-N 2.88Å; V2382-L2393 HydrophobicContact CB-CD2 4.15Å; V2382-L2393 HydrophobicContact CG2-CD2 3.59Å; V2382-I2397 HydrophobicContact CG2-CD1 3.63Å; V2382-L2415 HydrophobicContact CB-CD2 4.3Å; V2382-L2415 HydrophobicContact CG1-CD2 4.36Å; V2382-L2415 HydrophobicContact CG2-CD2 4.26Å; V2382-R2426 HydrophobicContact CG1-CB 3.31Å; V2382-R2426 HydrophobicContact CG1-CG 3.84Å |
| 2383 | C | 81.3 | Confident | 86 | Confident | 26.6667 Ų | 26.6667 | 28.9 Ų | 28.9 | 18% | 0.18 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 24.5 | 176.5 | -67.4 | 0 | 0 | 0 | 0 | 114.1 | R2381 Q2422 R2423 | R2381-C2383 PolarHBondContact O-N 3.04Å; R2381-C2383 VanDerWaalsContact O-N 3.14Å; C2383-Q2422 HydrophobicContact CB-CG 4.38Å; C2383-Q2422 PolarHBondContact O-NE2 3.01Å; C2383-R2423 WeakPolarHBondContact SG-CG 3.4Å |
| 2384 | H | 83.1 | Confident | 86.3 | Confident | 8.66667 Ų | 8.66667 | 27.9 Ų | 27.9 | 4% | 0.04 | 16% | 0.157 | C | C | . | . | trans | -55.3 | 145.6 | 176.3 | -164.1 | -81.8 | 0 | 0 | 0 | 112 | L2320 Q2324 R2381 V2382 I2386 V2389 V2390 L2393 | L2320-H2384 PolarHBondContact O-NE2 3Å; Q2324-H2384 WeakPolarHBondContact CG-NE2 3.41Å; Q2324-H2384 PolarHBondContact N-NE2 3.18Å; R2381-H2384 WeakPolarHBondContact O-CB 3.36Å; R2381-H2384 PolarHBondContact O-N 3Å; R2381-H2384 VanDerWaalsContact O-N 3.11Å; V2382-H2384 VanDerWaalsContact C-N 3.3Å; V2382-H2384 PolarHBondContact O-N 2.88Å; H2384-I2386 PolarHBondContact ND1-N 3.12Å; H2384-I2386 VanDerWaalsContact ND1-N 3.16Å; H2384-V2389 HydrophobicContact CB-CG1 4.38Å; H2384-V2390 HydrophobicContact CB-CG2 3.85Å; H2384-V2390 VanDerWaalsContact O-CG2 3.27Å; H2384-V2390 WeakPolarHBondContact O-CG2 3.26Å; H2384-L2393 HydrophobicContact CB-CD1 4.46Å | ||
| 2385 | E | 80.5 | Confident | 86.5 | Confident | 133.667 Ų | 133.667 | 30 Ų | 30 | 63% | 0.625 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -71.8 | -39.5 | -173.9 | -65.8 | 175.5 | 177.7 | 0 | 0 | 112.2 | V2327 P2387 | V2327-E2385 VanDerWaalsContact CG1-OE2 3.28Å; V2327-E2385 WeakPolarHBondContact CG1-OE2 3.35Å; V2327-E2385 HydrophobicContact CG2-CB 4.33Å; E2385-P2387 WeakPolarHBondContact O-CD 3.3Å |
| 2386 | I | 83.9 | Confident | 86.6 | Confident | 22.6667 Ų | 22.6667 | 30.1 Ų | 30.1 | 12% | 0.116 | 18% | 0.175 | C | C | . | . | trans | -73.4 | 123 | 179.3 | -57.1 | -176.3 | 0 | 0 | 0 | 112.2 | G2323 V2327 F2352 H2384 T2388 V2389 V2390 | G2323-I2386 WeakPolarHBondContact O-CD1 3.35Å; V2327-I2386 HydrophobicContact CG2-CD1 3.66Å; V2327-I2386 HydrophobicContact CG2-CG1 3.32Å; F2352-I2386 HydrophobicContact CE1-CD1 4.38Å; F2352-I2386 HydrophobicContact CE1-CG2 4.31Å; F2352-I2386 HydrophobicContact CE2-CD1 3.69Å; F2352-I2386 HydrophobicContact CZ-CD1 3.56Å; F2352-I2386 HydrophobicContact CZ-CG2 3.96Å; H2384-I2386 PolarHBondContact ND1-N 3.12Å; H2384-I2386 VanDerWaalsContact ND1-N 3.16Å; I2386-T2388 WeakPolarHBondContact CG2-OG1 3.39Å; I2386-T2388 PolarHBondContact O-N 3.16Å; I2386-V2389 HydrophobicContact CB-CB 4.28Å; I2386-V2389 HydrophobicContact CB-CG2 3.99Å; I2386-V2389 HydrophobicContact CD1-CG2 4.45Å; I2386-V2389 HydrophobicContact CG2-CB 4.49Å; I2386-V2389 HydrophobicContact CG2-CG2 4.05Å; I2386-V2389 PolarHBondContact O-N 3.1Å; I2386-V2390 WeakPolarHBondContact O-CG2 3.32Å; I2386-V2390 PolarHBondContact O-N 3.06Å | ||
| 2387 | P | 84.5 | Confident | 87 | Confident | 89.6667 Ų | 89.6667 | 29.7 Ų | 29.7 | 58% | 0.582 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -61.6 | -39.1 | 179.1 | -25.2 | 34.8 | 0 | 0 | 0 | 115.3 | E2385 V2389 V2390 T2391 | E2385-P2387 WeakPolarHBondContact O-CD 3.3Å; P2387-V2389 PolarHBondContact O-N 3.23Å; P2387-V2390 PolarHBondContact O-N 3.04Å; P2387-T2391 PolarHBondContact O-N 3.01Å; P2387-T2391 PolarHBondContact O-OG1 3.33Å; P2387-T2391 VanDerWaalsContact O-OG1 3.1Å |
| 2388 | T | 85.3 | Confident | 87.4 | Confident | 66.3333 Ų | 66.3333 | 28.7 Ų | 28.7 | 41% | 0.407 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.4 | -43 | -178.9 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | Q2356 I2386 V2390 T2391 T2392 | Q2356-T2388 PolarHBondContact NE2-O 3.17Å; I2386-T2388 WeakPolarHBondContact CG2-OG1 3.39Å; I2386-T2388 PolarHBondContact O-N 3.16Å; T2388-V2390 VanDerWaalsContact C-N 3.32Å; T2388-V2390 PolarHBondContact O-N 3.29Å; T2388-T2391 WeakPolarHBondContact O-CB 3.22Å; T2388-T2391 PolarHBondContact O-N 2.97Å; T2388-T2391 VanDerWaalsContact O-N 3.14Å; T2388-T2392 PolarHBondContact O-N 3.11Å; T2388-T2392 VanDerWaalsContact O-N 3.13Å; T2388-T2392 PolarHBondContact O-OG1 3.11Å |
| 2389 | V | 87.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 174 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | W2319 L2320 F2352 H2384 I2386 P2387 T2391 T2392 L2393 | W2319-V2389 HydrophobicContact CH2-CG1 4.19Å; W2319-V2389 HydrophobicContact CZ2-CB 4.42Å; W2319-V2389 HydrophobicContact CZ2-CG1 3.79Å; L2320-V2389 HydrophobicContact CD2-CG1 3.65Å; F2352-V2389 HydrophobicContact CE2-CG2 4.46Å; F2352-V2389 HydrophobicContact CZ-CG2 3.94Å; H2384-V2389 HydrophobicContact CB-CG1 4.38Å; I2386-V2389 HydrophobicContact CB-CB 4.28Å; I2386-V2389 HydrophobicContact CB-CG2 3.99Å; I2386-V2389 HydrophobicContact CD1-CG2 4.45Å; I2386-V2389 HydrophobicContact CG2-CB 4.49Å; I2386-V2389 HydrophobicContact CG2-CG2 4.05Å; I2386-V2389 PolarHBondContact O-N 3.1Å; P2387-V2389 PolarHBondContact O-N 3.23Å; V2389-T2391 VanDerWaalsContact C-N 3.31Å; V2389-T2391 PolarHBondContact O-N 2.97Å; V2389-T2392 PolarHBondContact O-N 2.92Å; V2389-L2393 HydrophobicContact CG1-CD1 4.04Å; V2389-L2393 HydrophobicContact CG1-CG 4.37Å; V2389-L2393 VanDerWaalsContact O-CB 3.31Å; V2389-L2393 WeakPolarHBondContact O-CB 3.37Å; V2389-L2393 WeakPolarHBondContact O-CG 3.34Å; V2389-L2393 PolarHBondContact O-N 3.27Å |
| 2390 | V | 87.8 | Confident | 87.8 | Confident | 0.666667 Ų | 0.666667 | 31.2 Ų | 31.2 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 178 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | H2384 I2386 P2387 T2388 T2392 L2393 I2394 | H2384-V2390 HydrophobicContact CB-CG2 3.85Å; H2384-V2390 VanDerWaalsContact O-CG2 3.27Å; H2384-V2390 WeakPolarHBondContact O-CG2 3.26Å; I2386-V2390 WeakPolarHBondContact O-CG2 3.32Å; I2386-V2390 PolarHBondContact O-N 3.06Å; P2387-V2390 PolarHBondContact O-N 3.04Å; T2388-V2390 VanDerWaalsContact C-N 3.32Å; T2388-V2390 PolarHBondContact O-N 3.29Å; V2390-T2392 VanDerWaalsContact C-N 3.32Å; V2390-T2392 PolarHBondContact O-N 3.08Å; V2390-L2393 WeakPolarHBondContact O-CB 3.48Å; V2390-L2393 PolarHBondContact O-N 3.09Å; V2390-I2394 HydrophobicContact CG1-CD1 3.63Å; V2390-I2394 HydrophobicContact CG1-CG1 4.1Å; V2390-I2394 WeakPolarHBondContact O-CB 3.34Å; V2390-I2394 VanDerWaalsContact O-CG1 3.28Å; V2390-I2394 WeakPolarHBondContact O-CG1 3.35Å; V2390-I2394 PolarHBondContact O-N 3.11Å |
| 2391 | T | 90.5 | Very high | 88.3 | Confident | 93.6667 Ų | 93.6667 | 30.2 Ų | 30.2 | 58% | 0.575 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -60.8 | -44.1 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | P2387 T2388 V2389 I2394 A2395 | P2387-T2391 PolarHBondContact O-N 3.01Å; P2387-T2391 PolarHBondContact O-OG1 3.33Å; P2387-T2391 VanDerWaalsContact O-OG1 3.1Å; T2388-T2391 WeakPolarHBondContact O-CB 3.22Å; T2388-T2391 PolarHBondContact O-N 2.97Å; T2388-T2391 VanDerWaalsContact O-N 3.14Å; V2389-T2391 VanDerWaalsContact C-N 3.31Å; V2389-T2391 PolarHBondContact O-N 2.97Å; T2391-I2394 PolarHBondContact O-N 3.03Å; T2391-A2395 WeakPolarHBondContact O-CB 3.36Å; T2391-A2395 PolarHBondContact O-N 3.1Å |
| 2392 | T | 89.5 | Confident | 88.6 | Confident | 30 Ų | 30 | 30.9 Ų | 30.9 | 18% | 0.184 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -41.3 | 176.4 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | W2319 Q2356 T2388 V2389 V2390 A2395 L2396 | W2319-T2392 HydrophobicContact CH2-CG2 4.09Å; W2319-T2392 HydrophobicContact CZ2-CG2 3.97Å; Q2356-T2392 PolarHBondContact NE2-OG1 3.47Å; T2388-T2392 PolarHBondContact O-N 3.11Å; T2388-T2392 VanDerWaalsContact O-N 3.13Å; T2388-T2392 PolarHBondContact O-OG1 3.11Å; V2389-T2392 PolarHBondContact O-N 2.92Å; V2390-T2392 VanDerWaalsContact C-N 3.32Å; V2390-T2392 PolarHBondContact O-N 3.08Å; T2392-A2395 PolarHBondContact O-N 3.02Å; T2392-L2396 WeakPolarHBondContact O-CB 3.36Å; T2392-L2396 PolarHBondContact O-N 3.1Å |
| 2393 | L | 91 | Very high | 88.8 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 175.9 | -107.2 | 157.4 | 0 | 0 | 0 | 112 | W2319 L2320 L2378 R2381 V2382 H2384 V2389 V2390 A2395 L2396 I2397 | W2319-L2393 HydrophobicContact CH2-CB 4.04Å; W2319-L2393 HydrophobicContact CH2-CD1 4.36Å; W2319-L2393 HydrophobicContact CH2-CD2 3.72Å; W2319-L2393 HydrophobicContact CH2-CG 3.66Å; W2319-L2393 HydrophobicContact CZ3-CD1 4.21Å; W2319-L2393 HydrophobicContact CZ3-CD2 3.51Å; W2319-L2393 VanDerWaalsContact CZ3-CD2 3.49Å; W2319-L2393 HydrophobicContact CZ3-CG 3.97Å; L2320-L2393 HydrophobicContact CD1-CD1 4.47Å; L2320-L2393 HydrophobicContact CD2-CD1 3.96Å; L2320-L2393 HydrophobicContact CD2-CD2 4.25Å; L2320-L2393 HydrophobicContact CD2-CG 4.35Å; L2378-L2393 HydrophobicContact CD2-CD1 4.06Å; L2378-L2393 HydrophobicContact CD2-CD2 3.73Å; R2381-L2393 WeakPolarHBondContact O-CD1 3.27Å; V2382-L2393 HydrophobicContact CB-CD2 4.15Å; V2382-L2393 HydrophobicContact CG2-CD2 3.59Å; H2384-L2393 HydrophobicContact CB-CD1 4.46Å; V2389-L2393 HydrophobicContact CG1-CD1 4.04Å; V2389-L2393 HydrophobicContact CG1-CG 4.37Å; V2389-L2393 VanDerWaalsContact O-CB 3.31Å; V2389-L2393 WeakPolarHBondContact O-CB 3.37Å; V2389-L2393 WeakPolarHBondContact O-CG 3.34Å; V2389-L2393 PolarHBondContact O-N 3.27Å; V2390-L2393 WeakPolarHBondContact O-CB 3.48Å; V2390-L2393 PolarHBondContact O-N 3.09Å; L2393-A2395 VanDerWaalsContact C-N 3.35Å; L2393-A2395 PolarHBondContact O-N 2.88Å; L2393-L2396 WeakPolarHBondContact O-CB 3.45Å; L2393-L2396 PolarHBondContact O-N 3.1Å; L2393-I2397 HydrophobicContact CD2-CD1 3.7Å; L2393-I2397 HydrophobicContact CG-CD1 4.18Å; L2393-I2397 WeakPolarHBondContact O-CD1 3.47Å; L2393-I2397 VanDerWaalsContact O-CG1 3.3Å; L2393-I2397 WeakPolarHBondContact O-CG1 3.43Å; L2393-I2397 PolarHBondContact O-N 2.94Å |
| 2394 | I | 91.8 | Very high | 89.2 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 176.6 | -70.4 | 173.6 | 0 | 0 | 0 | 109.7 | V2390 T2391 L2396 I2397 V2398 Q2429 I2430 M2433 | V2390-I2394 HydrophobicContact CG1-CD1 3.63Å; V2390-I2394 HydrophobicContact CG1-CG1 4.1Å; V2390-I2394 WeakPolarHBondContact O-CB 3.34Å; V2390-I2394 VanDerWaalsContact O-CG1 3.28Å; V2390-I2394 WeakPolarHBondContact O-CG1 3.35Å; V2390-I2394 PolarHBondContact O-N 3.11Å; T2391-I2394 PolarHBondContact O-N 3.03Å; I2394-L2396 VanDerWaalsContact C-N 3.27Å; I2394-L2396 PolarHBondContact O-N 3.41Å; I2394-I2397 PolarHBondContact O-N 2.94Å; I2394-V2398 HydrophobicContact CG2-CG2 4.25Å; I2394-V2398 WeakPolarHBondContact O-CB 3.35Å; I2394-V2398 VanDerWaalsContact O-CG2 3.26Å; I2394-V2398 WeakPolarHBondContact O-CG2 3.43Å; I2394-V2398 PolarHBondContact O-N 3.24Å; I2394-Q2429 HydrophobicContact CD1-CB 4.38Å; I2394-I2430 HydrophobicContact CB-CG1 4.4Å; I2394-I2430 HydrophobicContact CG1-CG1 4.15Å; I2394-I2430 HydrophobicContact CG2-CG1 3.81Å; I2394-M2433 HydrophobicContact CB-CE 4.41Å; I2394-M2433 HydrophobicContact CG2-CE 3.85Å; I2394-M2433 HydrophobicContact CG2-SD 3.43Å; I2394-M2433 WeakPolarHBondContact CG2-SD 3.18Å |
| 2395 | A | 91.6 | Very high | 89.6 | Confident | 46 Ų | 46 | 33.8 Ų | 33.8 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.8 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2391 T2392 L2393 R2399 | T2391-A2395 WeakPolarHBondContact O-CB 3.36Å; T2391-A2395 PolarHBondContact O-N 3.1Å; T2392-A2395 PolarHBondContact O-N 3.02Å; L2393-A2395 VanDerWaalsContact C-N 3.35Å; L2393-A2395 PolarHBondContact O-N 2.88Å; A2395-R2399 WeakPolarHBondContact O-CB 3.18Å; A2395-R2399 PolarHBondContact O-N 3.18Å; A2395-R2399 VanDerWaalsContact O-N 3.08Å |
| 2396 | L | 91.9 | Very high | 90 | Very high | 5.33333 Ų | 5.33333 | 29.2 Ų | 29.2 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -46.7 | 175.7 | -179.1 | 62.7 | 0 | 0 | 0 | 112.1 | F2371 L2378 T2392 L2393 I2394 V2398 R2399 I2400 | F2371-L2396 HydrophobicContact CB-CD1 4.31Å; F2371-L2396 HydrophobicContact CD1-CD1 3.95Å; F2371-L2396 HydrophobicContact CD1-CD2 3.68Å; F2371-L2396 HydrophobicContact CD1-CG 4.32Å; F2371-L2396 HydrophobicContact CD2-CD1 3.77Å; F2371-L2396 HydrophobicContact CE1-CD1 4.13Å; F2371-L2396 HydrophobicContact CE1-CD2 3.84Å; F2371-L2396 HydrophobicContact CE1-CG 4.47Å; F2371-L2396 HydrophobicContact CE2-CD1 3.92Å; F2371-L2396 HydrophobicContact CG-CD1 3.77Å; F2371-L2396 HydrophobicContact CG-CD2 4.28Å; F2371-L2396 HydrophobicContact CG-CG 4.44Å; F2371-L2396 HydrophobicContact CZ-CD1 4.12Å; F2371-L2396 HydrophobicContact CZ-CD2 4.5Å; L2378-L2396 HydrophobicContact CD1-CD2 3.72Å; L2378-L2396 HydrophobicContact CD1-CG 4.24Å; L2378-L2396 HydrophobicContact CD2-CD2 3.85Å; L2378-L2396 HydrophobicContact CG-CD2 4.47Å; T2392-L2396 WeakPolarHBondContact O-CB 3.36Å; T2392-L2396 PolarHBondContact O-N 3.1Å; L2393-L2396 WeakPolarHBondContact O-CB 3.45Å; L2393-L2396 PolarHBondContact O-N 3.1Å; I2394-L2396 VanDerWaalsContact C-N 3.27Å; I2394-L2396 PolarHBondContact O-N 3.41Å; L2396-V2398 VanDerWaalsContact C-N 3.33Å; L2396-V2398 PolarHBondContact O-N 3.01Å; L2396-R2399 WeakPolarHBondContact O-CB 3.3Å; L2396-R2399 PolarHBondContact O-N 3.2Å; L2396-I2400 HydrophobicContact CG-CD1 4.38Å; L2396-I2400 WeakPolarHBondContact O-CG1 3.39Å; L2396-I2400 PolarHBondContact O-N 3.21Å |
| 2397 | I | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 177.8 | -66.7 | 160.2 | 0 | 0 | 0 | 110.8 | L2378 L2379 V2382 L2393 I2394 R2399 I2400 F2401 L2412 I2430 | L2378-I2397 HydrophobicContact CB-CG1 4.44Å; L2379-I2397 HydrophobicContact CD2-CD1 3.87Å; L2379-I2397 HydrophobicContact CD2-CG1 4.31Å; L2379-I2397 HydrophobicContact CD2-CG2 4.28Å; V2382-I2397 HydrophobicContact CG2-CD1 3.63Å; L2393-I2397 HydrophobicContact CD2-CD1 3.7Å; L2393-I2397 HydrophobicContact CG-CD1 4.18Å; L2393-I2397 WeakPolarHBondContact O-CD1 3.47Å; L2393-I2397 VanDerWaalsContact O-CG1 3.3Å; L2393-I2397 WeakPolarHBondContact O-CG1 3.43Å; L2393-I2397 PolarHBondContact O-N 2.94Å; I2394-I2397 PolarHBondContact O-N 2.94Å; I2397-R2399 VanDerWaalsContact C-N 3.31Å; I2397-R2399 PolarHBondContact O-N 2.88Å; I2397-I2400 PolarHBondContact O-N 3.27Å; I2397-F2401 PolarHBondContact O-N 3.22Å; I2397-L2412 HydrophobicContact CG2-CD2 4.14Å; I2397-I2430 HydrophobicContact CD1-CD1 4.16Å; I2397-I2430 HydrophobicContact CG2-CD1 4.13Å; I2397-I2430 HydrophobicContact CG2-CG2 4.17Å |
| 2398 | V | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | I2394 L2396 I2400 F2401 E2402 I2430 M2433 I2434 K2437 | I2394-V2398 HydrophobicContact CG2-CG2 4.25Å; I2394-V2398 WeakPolarHBondContact O-CB 3.35Å; I2394-V2398 VanDerWaalsContact O-CG2 3.26Å; I2394-V2398 WeakPolarHBondContact O-CG2 3.43Å; I2394-V2398 PolarHBondContact O-N 3.24Å; L2396-V2398 VanDerWaalsContact C-N 3.33Å; L2396-V2398 PolarHBondContact O-N 3.01Å; V2398-I2400 VanDerWaalsContact C-N 3.33Å; V2398-I2400 PolarHBondContact O-N 3.19Å; V2398-F2401 PolarHBondContact O-N 2.94Å; V2398-E2402 HydrophobicContact CG1-CG 4.41Å; V2398-E2402 WeakPolarHBondContact CG1-OE1 3.32Å; V2398-E2402 VanDerWaalsContact O-CG 3.31Å; V2398-E2402 WeakPolarHBondContact O-CG 3.45Å; V2398-E2402 PolarHBondContact O-N 2.83Å; V2398-I2430 HydrophobicContact CG2-CG2 4.08Å; V2398-M2433 HydrophobicContact CB-CE 4.23Å; V2398-M2433 HydrophobicContact CG2-CB 4.13Å; V2398-M2433 HydrophobicContact CG2-CE 4.05Å; V2398-M2433 HydrophobicContact CG2-CG 4.46Å; V2398-I2434 HydrophobicContact CB-CG1 4.4Å; V2398-I2434 HydrophobicContact CG1-CG1 3.99Å; V2398-I2434 HydrophobicContact CG2-CD1 4.47Å; V2398-I2434 HydrophobicContact CG2-CG1 4.05Å; V2398-K2437 HydrophobicContact CG1-CD 4.28Å |
| 2399 | R | 92.7 | Very high | 91.1 | Very high | 63 Ų | 63 | 21 Ų | 21 | 24% | 0.238 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 176.2 | -175 | 176.6 | 140 | -173.6 | -4.6 | 113 | C2363 Q2364 I2366 V2368 F2371 A2395 L2396 I2397 F2401 T2403 | C2363-R2399 VanDerWaalsContact C-NH1 3.29Å; C2363-R2399 PolarHBondContact O-NH1 3.26Å; C2363-R2399 PolarHBondContact O-NH2 3.42Å; Q2364-R2399 PolarHBondContact O-NH2 2.95Å; I2366-R2399 PolarHBondContact O-NH2 3.32Å; V2368-R2399 HydrophobicContact CG1-CG 4.42Å; V2368-R2399 HydrophobicContact CG2-CG 4.04Å; F2371-R2399 VanDerWaalsContact CE2-NH2 3.27Å; A2395-R2399 WeakPolarHBondContact O-CB 3.18Å; A2395-R2399 PolarHBondContact O-N 3.18Å; A2395-R2399 VanDerWaalsContact O-N 3.08Å; L2396-R2399 WeakPolarHBondContact O-CB 3.3Å; L2396-R2399 PolarHBondContact O-N 3.2Å; I2397-R2399 VanDerWaalsContact C-N 3.31Å; I2397-R2399 PolarHBondContact O-N 2.88Å; R2399-F2401 VanDerWaalsContact C-N 3.35Å; R2399-T2403 PolarHBondContact O-N 2.92Å; R2399-T2403 PolarHBondContact O-OG1 3.05Å |
| 2400 | I | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 173.9 | -63.5 | 165.5 | 0 | 0 | 0 | 110 | V2368 F2371 Y2372 L2375 L2378 L2396 I2397 V2398 E2402 T2403 Y2404 T2408 | V2368-I2400 HydrophobicContact CG1-CB 4.23Å; V2368-I2400 HydrophobicContact CG1-CG1 3.88Å; F2371-I2400 HydrophobicContact CB-CD1 3.82Å; F2371-I2400 HydrophobicContact CB-CG1 4.16Å; Y2372-I2400 HydrophobicContact CD2-CG2 3.71Å; Y2372-I2400 HydrophobicContact CG-CG2 4.43Å; L2375-I2400 HydrophobicContact CD1-CD1 4.2Å; L2375-I2400 HydrophobicContact CD1-CG2 4.5Å; L2378-I2400 HydrophobicContact CD1-CD1 3.81Å; L2396-I2400 HydrophobicContact CG-CD1 4.38Å; L2396-I2400 WeakPolarHBondContact O-CG1 3.39Å; L2396-I2400 PolarHBondContact O-N 3.21Å; I2397-I2400 PolarHBondContact O-N 3.27Å; V2398-I2400 VanDerWaalsContact C-N 3.33Å; V2398-I2400 PolarHBondContact O-N 3.19Å; I2400-E2402 PolarHBondContact O-N 2.74Å; I2400-T2403 PolarHBondContact O-N 3.2Å; I2400-Y2404 PolarHBondContact O-N 3.24Å; I2400-T2408 HydrophobicContact CG2-CG2 4.29Å |
| 2401 | F | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | 179.1 | -166.6 | -82.6 | 0 | 0 | 0 | 112.6 | I2397 V2398 R2399 T2403 Y2404 P2405 T2408 M2409 L2412 I2434 L2441 F2444 I2445 | I2397-F2401 PolarHBondContact O-N 3.22Å; V2398-F2401 PolarHBondContact O-N 2.94Å; R2399-F2401 VanDerWaalsContact C-N 3.35Å; F2401-T2403 PolarHBondContact O-N 3.21Å; F2401-Y2404 CarbonylContact O-C 3.39Å; F2401-Y2404 PolarHBondContact O-N 3.19Å; F2401-P2405 HydrophobicContact CD1-CB 4.16Å; F2401-P2405 HydrophobicContact CE1-CB 3.9Å; F2401-P2405 HydrophobicContact CZ-CB 4.33Å; F2401-P2405 WeakPolarHBondContact O-CA 3.39Å; F2401-P2405 WeakPolarHBondContact O-CB 3.28Å; F2401-P2405 VanDerWaalsContact O-CD 3.26Å; F2401-P2405 WeakPolarHBondContact O-CD 3.38Å; F2401-T2408 HydrophobicContact CB-CG2 4.13Å; F2401-T2408 HydrophobicContact CD2-CG2 3.71Å; F2401-T2408 HydrophobicContact CG-CG2 4.38Å; F2401-M2409 HydrophobicContact CE2-CB 4.12Å; F2401-M2409 HydrophobicContact CE2-SD 3.89Å; F2401-M2409 HydrophobicContact CZ-SD 4.02Å; F2401-L2412 HydrophobicContact CD2-CD1 3.51Å; F2401-L2412 VanDerWaalsContact CD2-CD1 3.47Å; F2401-L2412 HydrophobicContact CE2-CD1 3.81Å; F2401-I2434 HydrophobicContact CB-CD1 3.93Å; F2401-I2434 HydrophobicContact CB-CG1 4.47Å; F2401-I2434 HydrophobicContact CD1-CD1 3.61Å; F2401-I2434 HydrophobicContact CD1-CG1 4.13Å; F2401-I2434 HydrophobicContact CD1-CG2 3.84Å; F2401-I2434 HydrophobicContact CD2-CD1 4.11Å; F2401-I2434 HydrophobicContact CE1-CD1 4.1Å; F2401-I2434 HydrophobicContact CE1-CG2 3.88Å; F2401-I2434 HydrophobicContact CE2-CD1 4.49Å; F2401-I2434 HydrophobicContact CG-CD1 3.61Å; F2401-I2434 HydrophobicContact CG-CG1 4.38Å; F2401-I2434 HydrophobicContact CZ-CD1 4.5Å; F2401-L2441 HydrophobicContact CD1-CD1 4.21Å; F2401-L2441 HydrophobicContact CE1-CD1 3.96Å; F2401-F2444 HydrophobicContact CZ-CD1 4.32Å; F2401-F2444 AromaticContact CZ-CE1 3.9Å; F2401-F2444 HydrophobicContact CZ-CE1 4Å; F2401-I2445 HydrophobicContact CE1-CD1 4.31Å; F2401-I2445 HydrophobicContact CE1-CG1 4.39Å; F2401-I2445 HydrophobicContact CZ-CD1 4.31Å; F2401-I2445 HydrophobicContact CZ-CG1 4.01Å |
| 2402 | E | 90.7 | Very high | 91.4 | Very high | 51 Ų | 51 | 18.7 Ų | 18.7 | 24% | 0.238 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.8 | -35.6 | 176 | -75.4 | 166.2 | -179.1 | 0 | 0 | 112.1 | V2398 I2400 K2437 | V2398-E2402 HydrophobicContact CG1-CG 4.41Å; V2398-E2402 WeakPolarHBondContact CG1-OE1 3.32Å; V2398-E2402 VanDerWaalsContact O-CG 3.31Å; V2398-E2402 WeakPolarHBondContact O-CG 3.45Å; V2398-E2402 PolarHBondContact O-N 2.83Å; I2400-E2402 PolarHBondContact O-N 2.74Å; E2402-K2437 WeakPolarHBondContact OE1-CD 3.2Å; E2402-K2437 IonicContact OE1-NZ 2.87Å; E2402-K2437 PolarHBondContact OE1-NZ 3Å; E2402-K2437 IonicContact OE2-NZ 3.72Å |
| 2403 | T | 88.8 | Confident | 91.4 | Very high | 56.5 Ų | 56.5 | 17.4 Ų | 17.4 | 35% | 0.347 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -84.5 | -39.6 | -177.6 | -45.5 | 0 | 0 | 0 | 0 | 111.7 | V2368 R2399 I2400 F2401 | V2368-T2403 HydrophobicContact CB-CG2 4.35Å; V2368-T2403 HydrophobicContact CG1-CG2 4.43Å; R2399-T2403 PolarHBondContact O-N 2.92Å; R2399-T2403 PolarHBondContact O-OG1 3.05Å; I2400-T2403 PolarHBondContact O-N 3.2Å; F2401-T2403 PolarHBondContact O-N 3.21Å |
| 2404 | Y | 90.6 | Very high | 91.2 | Very high | 14.5 Ų | 14.5 | 18.4 Ų | 18.4 | 6% | 0.057 | 10% | 0.1 | C | C | . | . | trans | -131.4 | 63.7 | -174.8 | -51.4 | -62.4 | 0 | 0 | 0 | 111.5 | V2368 Y2369 Y2372 I2400 F2401 L2406 Q2407 T2408 W2520 P2521 F2522 | V2368-Y2404 HydrophobicContact CB-CE2 4.42Å; V2368-Y2404 HydrophobicContact CG1-CD2 4.48Å; V2368-Y2404 HydrophobicContact CG1-CE2 4.21Å; Y2369-Y2404 WeakPolarHBondContact CB-OH 3.28Å; Y2372-Y2404 HydrophobicContact CD2-CD2 4.38Å; I2400-Y2404 PolarHBondContact O-N 3.24Å; F2401-Y2404 CarbonylContact O-C 3.39Å; F2401-Y2404 PolarHBondContact O-N 3.19Å; Y2404-L2406 VanDerWaalsContact C-N 3.32Å; Y2404-L2406 PolarHBondContact O-N 3.28Å; Y2404-Q2407 PolarHBondContact O-N 3.23Å; Y2404-T2408 VanDerWaalsContact O-CB 3.24Å; Y2404-T2408 WeakPolarHBondContact O-CB 3.41Å; Y2404-T2408 PolarHBondContact O-N 3.1Å; Y2404-T2408 PolarHBondContact O-OG1 3.33Å; Y2404-W2520 AromaticContact CD1-CH2 3.79Å; Y2404-W2520 HydrophobicContact CD1-CH2 3.96Å; Y2404-W2520 HydrophobicContact CD1-CZ3 4.16Å; Y2404-W2520 HydrophobicContact CE1-CE3 4.23Å; Y2404-W2520 AromaticContact CE1-CH2 3.82Å; Y2404-W2520 HydrophobicContact CE1-CH2 3.93Å; Y2404-W2520 AromaticContact CE1-CZ3 3.67Å; Y2404-W2520 HydrophobicContact CE1-CZ3 3.67Å; Y2404-P2521 HydrophobicContact CE1-CG 3.99Å; Y2404-P2521 WeakPolarHBondContact OH-CG 3.48Å; Y2404-F2522 AromaticContact CD1-CD2 3.99Å; Y2404-F2522 HydrophobicContact CD1-CD2 4.16Å; Y2404-F2522 AromaticContact CD1-CE2 3.55Å; Y2404-F2522 HydrophobicContact CD1-CE2 3.55Å; Y2404-F2522 HydrophobicContact CD1-CZ 4.47Å; Y2404-F2522 HydrophobicContact CD2-CE2 4.34Å; Y2404-F2522 HydrophobicContact CE1-CD2 4.36Å; Y2404-F2522 AromaticContact CE1-CE2 3.89Å; Y2404-F2522 HydrophobicContact CE1-CE2 3.89Å; Y2404-F2522 AromaticContact CG-CE2 3.8Å; Y2404-F2522 HydrophobicContact CG-CE2 3.8Å; Y2404-F2522 HydrophobicContact CG-CZ 4.38Å | ||
| 2405 | P | 90.5 | Very high | 90.9 | Very high | 27.5 Ų | 27.5 | 18.8 Ų | 18.8 | 18% | 0.179 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | -171.5 | 23.2 | -32.6 | 0 | 0 | 0 | 112 | F2401 Q2407 M2409 L2441 F2444 | F2401-P2405 HydrophobicContact CD1-CB 4.16Å; F2401-P2405 HydrophobicContact CE1-CB 3.9Å; F2401-P2405 HydrophobicContact CZ-CB 4.33Å; F2401-P2405 WeakPolarHBondContact O-CA 3.39Å; F2401-P2405 WeakPolarHBondContact O-CB 3.28Å; F2401-P2405 VanDerWaalsContact O-CD 3.26Å; F2401-P2405 WeakPolarHBondContact O-CD 3.38Å; P2405-Q2407 PolarHBondContact O-N 3.19Å; P2405-M2409 WeakPolarHBondContact O-CB 3.36Å; P2405-M2409 PolarHBondContact O-N 3.16Å; P2405-M2409 VanDerWaalsContact O-N 3.11Å; P2405-L2441 HydrophobicContact CB-CD1 4.36Å; P2405-L2441 HydrophobicContact CB-CD2 4.18Å; P2405-L2441 HydrophobicContact CG-CD2 4.41Å; P2405-F2444 HydrophobicContact CB-CE1 4.27Å |
| 2406 | L | 90.6 | Very high | 90.7 | Very high | 37.5 Ų | 37.5 | 17.3 Ų | 17.3 | 20% | 0.196 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | -176.6 | -63.1 | -175.8 | 0 | 0 | 0 | 112.7 | Y2404 F2444 R2493 L2495 L2529 | Y2404-L2406 VanDerWaalsContact C-N 3.32Å; Y2404-L2406 PolarHBondContact O-N 3.28Å; L2406-F2444 HydrophobicContact CD2-CD2 4.36Å; L2406-F2444 HydrophobicContact CD2-CE2 3.6Å; L2406-F2444 HydrophobicContact CD2-CZ 3.86Å; L2406-R2493 WeakPolarHBondContact CD2-O 3.37Å; L2406-L2495 HydrophobicContact CB-CB 4.13Å; L2406-L2529 HydrophobicContact CD1-CD1 3.97Å |
| 2407 | Q | 91.6 | Very high | 90.2 | Very high | 2.5 Ų | 2.5 | 19.5 Ų | 19.5 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -78.6 | -43.5 | -179.5 | -60.6 | 80.4 | -6.5 | 0 | 0 | 111.4 | Y2372 Y2404 P2405 M2409 W2410 F2411 L2495 Q2501 L2502 F2522 | Y2372-Q2407 HydrophobicContact CE2-CB 4Å; Y2372-Q2407 VanDerWaalsContact OH-CB 3.3Å; Y2372-Q2407 WeakPolarHBondContact OH-CB 3.27Å; Y2404-Q2407 PolarHBondContact O-N 3.23Å; P2405-Q2407 PolarHBondContact O-N 3.19Å; Q2407-M2409 VanDerWaalsContact C-N 3.29Å; Q2407-M2409 PolarHBondContact O-N 3.06Å; Q2407-W2410 PolarHBondContact O-N 3.39Å; Q2407-F2411 WeakPolarHBondContact O-CD2 3.35Å; Q2407-L2495 HydrophobicContact CG-CD2 3.88Å; Q2407-Q2501 WeakPolarHBondContact CG-O 3.47Å; Q2407-L2502 HydrophobicContact CB-CD2 4.25Å; Q2407-L2502 HydrophobicContact CG-CD2 4.45Å; Q2407-F2522 HydrophobicContact CB-CZ 4.35Å; Q2407-F2522 HydrophobicContact CG-CD1 4.35Å; Q2407-F2522 HydrophobicContact CG-CD2 4.15Å; Q2407-F2522 HydrophobicContact CG-CE1 4.11Å; Q2407-F2522 HydrophobicContact CG-CE2 4.17Å; Q2407-F2522 HydrophobicContact CG-CG 4.25Å; Q2407-F2522 HydrophobicContact CG-CZ 4.02Å |
| 2408 | T | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67 | -30.6 | -174.1 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | L2375 I2400 F2401 Y2404 W2410 F2411 L2412 | L2375-T2408 HydrophobicContact CD1-CG2 4.44Å; L2375-T2408 HydrophobicContact CD2-CG2 3.92Å; I2400-T2408 HydrophobicContact CG2-CG2 4.29Å; F2401-T2408 HydrophobicContact CB-CG2 4.13Å; F2401-T2408 HydrophobicContact CD2-CG2 3.71Å; F2401-T2408 HydrophobicContact CG-CG2 4.38Å; Y2404-T2408 VanDerWaalsContact O-CB 3.24Å; Y2404-T2408 WeakPolarHBondContact O-CB 3.41Å; Y2404-T2408 PolarHBondContact O-N 3.1Å; Y2404-T2408 PolarHBondContact O-OG1 3.33Å; T2408-W2410 VanDerWaalsContact C-N 3.28Å; T2408-W2410 PolarHBondContact O-N 3.23Å; T2408-F2411 PolarHBondContact O-N 3.48Å; T2408-F2411 VanDerWaalsContact O-N 3.09Å; T2408-L2412 HydrophobicContact CG2-CD1 4.35Å; T2408-L2412 HydrophobicContact CG2-CG 4.39Å; T2408-L2412 PolarHBondContact O-N 3.02Å |
| 2409 | M | 92.9 | Very high | 89.1 | Confident | 3.5 Ų | 3.5 | 23.8 Ų | 23.8 | 2% | 0.017 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.8 | -42.3 | 179.7 | -170.7 | 61.5 | -156 | 0 | 0 | 112.8 | F2401 P2405 Q2407 F2411 L2412 I2413 F2431 F2444 I2445 I2449 | F2401-M2409 HydrophobicContact CE2-CB 4.12Å; F2401-M2409 HydrophobicContact CE2-SD 3.89Å; F2401-M2409 HydrophobicContact CZ-SD 4.02Å; P2405-M2409 WeakPolarHBondContact O-CB 3.36Å; P2405-M2409 PolarHBondContact O-N 3.16Å; P2405-M2409 VanDerWaalsContact O-N 3.11Å; Q2407-M2409 VanDerWaalsContact C-N 3.29Å; Q2407-M2409 PolarHBondContact O-N 3.06Å; M2409-F2411 PolarHBondContact O-N 2.96Å; M2409-L2412 PolarHBondContact O-N 3.38Å; M2409-L2412 VanDerWaalsContact O-N 3.11Å; M2409-I2413 HydrophobicContact CE-CD1 3.82Å; M2409-I2413 HydrophobicContact CE-CG1 3.86Å; M2409-I2413 HydrophobicContact CG-CD1 4.2Å; M2409-I2413 WeakPolarHBondContact O-CD1 3.44Å; M2409-I2413 WeakPolarHBondContact O-CG1 3.48Å; M2409-I2413 PolarHBondContact O-N 3.12Å; M2409-F2431 HydrophobicContact CE-CE1 4.27Å; M2409-F2431 HydrophobicContact CE-CZ 4.03Å; M2409-F2431 HydrophobicContact SD-CE1 4.24Å; M2409-F2431 HydrophobicContact SD-CZ 4.41Å; M2409-F2444 HydrophobicContact CB-CE1 3.89Å; M2409-F2444 HydrophobicContact CB-CZ 3.89Å; M2409-F2444 HydrophobicContact CG-CE1 4.02Å; M2409-F2444 HydrophobicContact CG-CZ 4.1Å; M2409-F2444 HydrophobicContact SD-CE1 4.24Å; M2409-I2445 HydrophobicContact CE-CG2 4.38Å; M2409-I2445 HydrophobicContact SD-CG1 4.36Å; M2409-I2449 HydrophobicContact CE-CG1 4Å |
| 2410 | W | 92.1 | Very high | 88.7 | Confident | 8 Ų | 8 | 22.6 Ų | 22.6 | 3% | 0.03 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.3 | -30 | 179.7 | -69.7 | 113 | 0 | 0 | 0 | 113.7 | Q2407 T2408 I2413 P2414 L2451 I2494 L2495 P2497 W2553 I2607 L2609 L2615 | Q2407-W2410 PolarHBondContact O-N 3.39Å; T2408-W2410 VanDerWaalsContact C-N 3.28Å; T2408-W2410 PolarHBondContact O-N 3.23Å; W2410-I2413 HydrophobicContact CD2-CD1 4.48Å; W2410-I2413 HydrophobicContact CE3-CD1 3.74Å; W2410-I2413 HydrophobicContact CZ3-CD1 4.14Å; W2410-P2414 WeakPolarHBondContact O-CD 3.29Å; W2410-L2451 HydrophobicContact CH2-CD2 4.3Å; W2410-I2494 HydrophobicContact CH2-CG2 4.35Å; W2410-I2494 HydrophobicContact CZ2-CG2 3.73Å; W2410-L2495 VanDerWaalsContact CZ2-O 3.3Å; W2410-L2495 WeakPolarHBondContact CZ2-O 3.45Å; W2410-L2495 PolarHBondContact NE1-O 3.14Å; W2410-L2495 VanDerWaalsContact NE1-O 3.11Å; W2410-P2497 HydrophobicContact CD2-CB 3.94Å; W2410-P2497 HydrophobicContact CD2-CG 4.28Å; W2410-P2497 HydrophobicContact CE3-CB 4.4Å; W2410-P2497 HydrophobicContact CE3-CG 4.29Å; W2410-P2497 HydrophobicContact CG-CB 4.14Å; W2410-P2497 HydrophobicContact CH2-CG 4.11Å; W2410-P2497 HydrophobicContact CZ2-CB 4.16Å; W2410-P2497 HydrophobicContact CZ2-CG 3.82Å; W2410-P2497 HydrophobicContact CZ3-CG 4.26Å; W2410-W2553 HydrophobicContact CH2-CH2 4.22Å; W2410-W2553 HydrophobicContact CH2-CZ3 4.49Å; W2410-I2607 HydrophobicContact CB-CD1 4.26Å; W2410-I2607 HydrophobicContact CB-CG2 4.3Å; W2410-I2607 HydrophobicContact CD2-CG2 4.34Å; W2410-I2607 HydrophobicContact CE3-CG2 3.67Å; W2410-I2607 HydrophobicContact CZ3-CG2 4.36Å; W2410-L2609 HydrophobicContact CZ3-CD2 4.28Å; W2410-L2615 HydrophobicContact CH2-CD1 4.4Å; W2410-L2615 HydrophobicContact CZ3-CD1 4.17Å |
| 2411 | F | 89.5 | Confident | 88.3 | Confident | 39 Ų | 39 | 31.3 Ų | 31.3 | 17% | 0.171 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -84.5 | -22.7 | 178.7 | -64.3 | -88.9 | 0 | 0 | 0 | 113.2 | Y2372 L2375 L2379 Q2407 T2408 M2409 L2415 L2502 | Y2372-F2411 VanDerWaalsContact OH-CE2 3.28Å; Y2372-F2411 WeakPolarHBondContact OH-CE2 3.23Å; L2375-F2411 HydrophobicContact CD2-CB 3.86Å; L2375-F2411 HydrophobicContact CD2-CD1 4.46Å; L2375-F2411 HydrophobicContact CD2-CD2 3.85Å; L2375-F2411 HydrophobicContact CD2-CG 3.85Å; L2375-F2411 HydrophobicContact CG-CB 4.5Å; L2379-F2411 HydrophobicContact CD1-CB 3.7Å; L2379-F2411 WeakPolarHBondContact CD1-O 3.43Å; Q2407-F2411 WeakPolarHBondContact O-CD2 3.35Å; T2408-F2411 PolarHBondContact O-N 3.48Å; T2408-F2411 VanDerWaalsContact O-N 3.09Å; M2409-F2411 PolarHBondContact O-N 2.96Å; F2411-L2415 WeakPolarHBondContact O-CD1 3.5Å; F2411-L2502 HydrophobicContact CE2-CD2 4.22Å; F2411-L2502 HydrophobicContact CZ-CB 4.5Å |
| 2412 | L | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -85.4 | -27.3 | 179.5 | -69.9 | 179.3 | 0 | 0 | 0 | 113.5 | L2379 I2397 F2401 T2408 M2409 L2415 N2416 I2430 F2431 | L2379-L2412 HydrophobicContact CD1-CD2 4.43Å; L2379-L2412 HydrophobicContact CD2-CD2 3.58Å; I2397-L2412 HydrophobicContact CG2-CD2 4.14Å; F2401-L2412 HydrophobicContact CD2-CD1 3.51Å; F2401-L2412 VanDerWaalsContact CD2-CD1 3.47Å; F2401-L2412 HydrophobicContact CE2-CD1 3.81Å; T2408-L2412 HydrophobicContact CG2-CD1 4.35Å; T2408-L2412 HydrophobicContact CG2-CG 4.39Å; T2408-L2412 PolarHBondContact O-N 3.02Å; M2409-L2412 PolarHBondContact O-N 3.38Å; M2409-L2412 VanDerWaalsContact O-N 3.11Å; L2412-L2415 HydrophobicContact CD2-CD1 4.31Å; L2412-L2415 WeakPolarHBondContact O-CB 3.38Å; L2412-L2415 PolarHBondContact O-N 3.16Å; L2412-L2415 VanDerWaalsContact O-N 3.09Å; L2412-N2416 PolarHBondContact O-N 3.03Å; L2412-I2430 HydrophobicContact CD1-CG2 4.27Å; L2412-F2431 HydrophobicContact CB-CE1 4.25Å; L2412-F2431 HydrophobicContact CB-CZ 4.13Å; L2412-F2431 HydrophobicContact CD1-CE1 3.93Å |
| 2413 | I | 88.3 | Confident | 87.8 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -50.5 | -50.1 | 178.8 | -72.2 | -137.6 | 0 | 0 | 0 | 113.2 | M2409 W2410 L2415 N2416 D2417 I2449 C2452 L2609 | M2409-I2413 HydrophobicContact CE-CD1 3.82Å; M2409-I2413 HydrophobicContact CE-CG1 3.86Å; M2409-I2413 HydrophobicContact CG-CD1 4.2Å; M2409-I2413 WeakPolarHBondContact O-CD1 3.44Å; M2409-I2413 WeakPolarHBondContact O-CG1 3.48Å; M2409-I2413 PolarHBondContact O-N 3.12Å; W2410-I2413 HydrophobicContact CD2-CD1 4.48Å; W2410-I2413 HydrophobicContact CE3-CD1 3.74Å; W2410-I2413 HydrophobicContact CZ3-CD1 4.14Å; I2413-L2415 PolarHBondContact O-N 3.07Å; I2413-L2415 VanDerWaalsContact O-N 3.16Å; I2413-N2416 WeakPolarHBondContact O-CB 3.18Å; I2413-N2416 PolarHBondContact O-N 3.37Å; I2413-N2416 VanDerWaalsContact O-N 3.09Å; I2413-D2417 PolarHBondContact O-N 3.35Å; I2413-I2449 HydrophobicContact CD1-CG1 4.1Å; I2413-C2452 HydrophobicContact CD1-CB 4.03Å; I2413-C2452 WeakPolarHBondContact CD1-SG 3.47Å; I2413-C2452 HydrophobicContact CG1-CB 4.49Å; I2413-C2452 HydrophobicContact CG2-CB 4Å; I2413-L2609 HydrophobicContact CG2-CD2 4.16Å |
| 2414 | P | 86.1 | Confident | 87.7 | Confident | 22 Ų | 22 | 35.7 Ų | 35.7 | 14% | 0.143 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59 | -29.5 | 178.4 | -3.3 | -0.3 | 0 | 0 | 0 | 114.3 | W2410 S2418 P2608 | W2410-P2414 WeakPolarHBondContact O-CD 3.29Å; P2414-S2418 PolarHBondContact O-N 3.27Å; P2414-S2418 VanDerWaalsContact O-N 3.1Å; P2414-P2608 HydrophobicContact CB-CB 4.22Å; P2414-P2608 HydrophobicContact CB-CG 4.37Å; P2414-P2608 WeakPolarHBondContact CB-O 3.41Å; P2414-P2608 WeakPolarHBondContact CD-O 3.22Å; P2414-P2608 HydrophobicContact CG-CB 4.44Å; P2414-P2608 HydrophobicContact CG-CG 4.12Å; P2414-P2608 VanDerWaalsContact CG-O 3.31Å; P2414-P2608 WeakPolarHBondContact CG-O 3.08Å |
| 2415 | L | 86.5 | Confident | 87.7 | Confident | 14.5 Ų | 14.5 | 38.4 Ų | 38.4 | 8% | 0.076 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.1 | -31.9 | 177.5 | -72 | 133.5 | 0 | 0 | 0 | 112.4 | L2379 V2382 F2411 L2412 I2413 D2417 S2418 R2423 R2424 C2427 | L2379-L2415 HydrophobicContact CB-CD1 4.11Å; L2379-L2415 HydrophobicContact CD1-CD1 4.07Å; L2379-L2415 HydrophobicContact CD2-CD1 3.76Å; L2379-L2415 HydrophobicContact CD2-CD2 4.48Å; L2379-L2415 HydrophobicContact CG-CD1 4.17Å; V2382-L2415 HydrophobicContact CB-CD2 4.3Å; V2382-L2415 HydrophobicContact CG1-CD2 4.36Å; V2382-L2415 HydrophobicContact CG2-CD2 4.26Å; F2411-L2415 WeakPolarHBondContact O-CD1 3.5Å; L2412-L2415 HydrophobicContact CD2-CD1 4.31Å; L2412-L2415 WeakPolarHBondContact O-CB 3.38Å; L2412-L2415 PolarHBondContact O-N 3.16Å; L2412-L2415 VanDerWaalsContact O-N 3.09Å; I2413-L2415 PolarHBondContact O-N 3.07Å; I2413-L2415 VanDerWaalsContact O-N 3.16Å; L2415-D2417 VanDerWaalsContact C-N 3.31Å; L2415-D2417 PolarHBondContact O-N 3.35Å; L2415-S2418 WeakPolarHBondContact O-CB 3.48Å; L2415-S2418 PolarHBondContact O-N 2.98Å; L2415-R2423 HydrophobicContact CD2-CB 4.18Å; L2415-R2423 HydrophobicContact CD2-CG 4.27Å; L2415-R2424 WeakPolarHBondContact O-CA 3.28Å; L2415-C2427 HydrophobicContact CB-CB 3.96Å |
| 2416 | N | 86.5 | Confident | 87.6 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 178.1 | -175.8 | 72.5 | 0 | 0 | 0 | 111.9 | L2412 I2413 R2424 Q2428 F2431 | L2412-N2416 PolarHBondContact O-N 3.03Å; I2413-N2416 WeakPolarHBondContact O-CB 3.18Å; I2413-N2416 PolarHBondContact O-N 3.37Å; I2413-N2416 VanDerWaalsContact O-N 3.09Å; N2416-R2424 VanDerWaalsContact O-CD 3.31Å; N2416-R2424 WeakPolarHBondContact O-CD 3.35Å; N2416-R2424 WeakPolarHBondContact O-CG 3.29Å; N2416-Q2428 PolarHBondContact OD1-NE2 2.96Å; N2416-F2431 HydrophobicContact CB-CE2 4.14Å |
| 2417 | D | 82.6 | Confident | 87.6 | Confident | 52 Ų | 52 | 37.9 Ų | 37.9 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 16.1 | -176.5 | -61.4 | -43.3 | 0 | 0 | 0 | 113.5 | I2413 L2415 K2456 | I2413-D2417 PolarHBondContact O-N 3.35Å; L2415-D2417 VanDerWaalsContact C-N 3.31Å; L2415-D2417 PolarHBondContact O-N 3.35Å; D2417-K2456 IonicContact OD1-NZ 3.03Å; D2417-K2456 IonicContact OD2-NZ 3.29Å; D2417-K2456 PolarHBondContact OD2-NZ 3.28Å |
| 2418 | S | 82.4 | Confident | 87.6 | Confident | 4.5 Ų | 4.5 | 41.2 Ų | 41.2 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | trans | -57.9 | 143 | 176.1 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | P2414 L2415 V2420 R2423 R2424 | P2414-S2418 PolarHBondContact O-N 3.27Å; P2414-S2418 VanDerWaalsContact O-N 3.1Å; L2415-S2418 WeakPolarHBondContact O-CB 3.48Å; L2415-S2418 PolarHBondContact O-N 2.98Å; S2418-V2420 VanDerWaalsContact C-N 3.29Å; S2418-V2420 PolarHBondContact O-N 3.38Å; S2418-V2420 PolarHBondContact OG-N 3.19Å; S2418-V2420 PolarHBondContact OG-O 3.41Å; S2418-R2423 WeakPolarHBondContact OG-CB 3.33Å; S2418-R2423 WeakPolarHBondContact OG-CD 3.29Å; S2418-R2424 WeakPolarHBondContact O-CD 3.32Å; S2418-R2424 WeakPolarHBondContact O-CG 3.39Å; S2418-R2424 PolarHBondContact O-NH1 3.32Å; S2418-R2424 PolarHBondContact O-NH2 3.28Å | ||
| 2419 | T | 80.7 | Confident | 87.6 | Confident | 85 Ų | 85 | 44.9 Ų | 44.9 | 52% | 0.521 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -67.5 | -33.4 | 174.7 | 58.7 | 0 | 0 | 0 | 0 | 111.5 | R2421 R2424 E2611 | T2419-R2421 PolarHBondContact O-N 3.45Å; T2419-R2424 VanDerWaalsContact C-NH1 3.3Å; T2419-R2424 PolarHBondContact O-NH1 3.49Å; T2419-E2611 VanDerWaalsContact CB-OE2 3.3Å; T2419-E2611 WeakPolarHBondContact CB-OE2 3.22Å; T2419-E2611 WeakPolarHBondContact CG2-OE2 3.31Å; T2419-E2611 VanDerWaalsContact OG1-CD 3.24Å; T2419-E2611 PolarHBondContact OG1-OE1 3Å; T2419-E2611 PolarHBondContact OG1-OE2 2.85Å |
| 2420 | V | 83.2 | Confident | 87.6 | Confident | 38.5 Ų | 38.5 | 44.7 Ų | 44.7 | 23% | 0.233 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -68.2 | 113.7 | 175.7 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | S2418 Q2422 R2423 R2424 V2802 | S2418-V2420 VanDerWaalsContact C-N 3.29Å; S2418-V2420 PolarHBondContact O-N 3.38Å; S2418-V2420 PolarHBondContact OG-N 3.19Å; S2418-V2420 PolarHBondContact OG-O 3.41Å; V2420-Q2422 VanDerWaalsContact C-N 3.32Å; V2420-Q2422 HydrophobicContact CG1-CB 4.32Å; V2420-Q2422 PolarHBondContact O-N 3.35Å; V2420-R2423 HydrophobicContact CB-CB 4.36Å; V2420-R2423 HydrophobicContact CB-CG 4.15Å; V2420-R2423 HydrophobicContact CG1-CG 4.21Å; V2420-R2423 PolarHBondContact O-N 3.13Å; V2420-R2424 PolarHBondContact O-N 2.84Å; V2420-V2802 HydrophobicContact CG1-CG1 4.06Å; V2420-V2802 HydrophobicContact CG2-CG1 4.27Å |
| 2421 | R | 85.5 | Confident | 87.6 | Confident | 183.5 Ų | 183.5 | 44.4 Ų | 44.4 | 69% | 0.692 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -55.6 | -43.7 | -178.7 | -177.4 | 178.2 | 176.3 | 174.4 | 2.5 | 112.9 | T2419 R2423 R2424 D2425 | T2419-R2421 PolarHBondContact O-N 3.45Å; R2421-R2423 VanDerWaalsContact C-N 3.31Å; R2421-R2423 PolarHBondContact O-N 3.4Å; R2421-R2424 WeakPolarHBondContact O-CB 3.49Å; R2421-R2424 PolarHBondContact O-N 3.17Å; R2421-R2424 VanDerWaalsContact O-N 3.15Å; R2421-D2425 IonicContact NE-OD2 3.67Å; R2421-D2425 VanDerWaalsContact O-CG 3.31Å; R2421-D2425 PolarHBondContact O-N 3.2Å |
| 2422 | Q | 85.6 | Confident | 87.7 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.7 | -39.4 | -179.3 | -167.2 | -176.7 | 4.6 | 0 | 0 | 112.3 | C2383 V2420 R2424 D2425 R2426 | C2383-Q2422 HydrophobicContact CB-CG 4.38Å; C2383-Q2422 PolarHBondContact O-NE2 3.01Å; V2420-Q2422 VanDerWaalsContact C-N 3.32Å; V2420-Q2422 HydrophobicContact CG1-CB 4.32Å; V2420-Q2422 PolarHBondContact O-N 3.35Å; Q2422-R2424 PolarHBondContact O-N 3.33Å; Q2422-D2425 PolarHBondContact O-N 3.19Å; Q2422-R2426 WeakPolarHBondContact O-CG 3.22Å; Q2422-R2426 PolarHBondContact O-N 3.29Å; Q2422-R2426 VanDerWaalsContact O-N 3.13Å |
| 2423 | R | 85.6 | Confident | 87.7 | Confident | 21.5 Ų | 21.5 | 50 Ų | 50 | 8% | 0.081 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 176.5 | -72.4 | -177.3 | 173 | -155.9 | -7.1 | 111.3 | C2383 L2415 S2418 V2420 R2421 R2426 C2427 D2799 V2802 E2803 | C2383-R2423 WeakPolarHBondContact SG-CG 3.4Å; L2415-R2423 HydrophobicContact CD2-CB 4.18Å; L2415-R2423 HydrophobicContact CD2-CG 4.27Å; S2418-R2423 WeakPolarHBondContact OG-CB 3.33Å; S2418-R2423 WeakPolarHBondContact OG-CD 3.29Å; V2420-R2423 HydrophobicContact CB-CB 4.36Å; V2420-R2423 HydrophobicContact CB-CG 4.15Å; V2420-R2423 HydrophobicContact CG1-CG 4.21Å; V2420-R2423 PolarHBondContact O-N 3.13Å; R2421-R2423 VanDerWaalsContact C-N 3.31Å; R2421-R2423 PolarHBondContact O-N 3.4Å; R2423-R2426 PolarHBondContact O-N 2.92Å; R2423-C2427 WeakPolarHBondContact O-CB 3.31Å; R2423-C2427 PolarHBondContact O-N 3.16Å; R2423-D2799 IonicContact CZ-OD1 3.72Å; R2423-D2799 IonicContact NH1-OD1 3.04Å; R2423-D2799 IonicContact NH2-OD1 2.6Å; R2423-D2799 PolarHBondContact NH2-OD1 3.04Å; R2423-V2802 HydrophobicContact CG-CG1 4.47Å; R2423-V2802 VanDerWaalsContact NE-CG1 3.28Å; R2423-E2803 IonicContact NH1-OE1 3.18Å |
| 2424 | R | 88.1 | Confident | 87.8 | Confident | 95 Ų | 95 | 49.9 Ų | 49.9 | 36% | 0.358 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 177 | -118.5 | -172.8 | -52.3 | -146.7 | 4 | 111.9 | L2415 N2416 S2418 T2419 V2420 R2421 Q2422 R2426 C2427 Q2428 | L2415-R2424 WeakPolarHBondContact O-CA 3.28Å; N2416-R2424 VanDerWaalsContact O-CD 3.31Å; N2416-R2424 WeakPolarHBondContact O-CD 3.35Å; N2416-R2424 WeakPolarHBondContact O-CG 3.29Å; S2418-R2424 WeakPolarHBondContact O-CD 3.32Å; S2418-R2424 WeakPolarHBondContact O-CG 3.39Å; S2418-R2424 PolarHBondContact O-NH1 3.32Å; S2418-R2424 PolarHBondContact O-NH2 3.28Å; T2419-R2424 VanDerWaalsContact C-NH1 3.3Å; T2419-R2424 PolarHBondContact O-NH1 3.49Å; V2420-R2424 PolarHBondContact O-N 2.84Å; R2421-R2424 WeakPolarHBondContact O-CB 3.49Å; R2421-R2424 PolarHBondContact O-N 3.17Å; R2421-R2424 VanDerWaalsContact O-N 3.15Å; Q2422-R2424 PolarHBondContact O-N 3.33Å; R2424-R2426 VanDerWaalsContact C-N 3.28Å; R2424-R2426 PolarHBondContact O-N 3.14Å; R2424-C2427 WeakPolarHBondContact O-CB 3.37Å; R2424-C2427 PolarHBondContact O-N 2.98Å; R2424-C2427 VanDerWaalsContact O-N 3.1Å; R2424-Q2428 WeakPolarHBondContact O-CG 3.36Å; R2424-Q2428 PolarHBondContact O-N 2.81Å |
| 2425 | D | 90.4 | Very high | 88 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.9 | -40.4 | -179.3 | -67 | -15.6 | 0 | 0 | 0 | 111 | R2421 Q2422 Q2428 Q2429 | R2421-D2425 IonicContact NE-OD2 3.67Å; R2421-D2425 VanDerWaalsContact O-CG 3.31Å; R2421-D2425 PolarHBondContact O-N 3.2Å; Q2422-D2425 PolarHBondContact O-N 3.19Å; D2425-Q2428 PolarHBondContact O-N 3.08Å; D2425-Q2429 WeakPolarHBondContact O-CG 3.31Å; D2425-Q2429 PolarHBondContact O-N 2.88Å |
| 2426 | R | 89.1 | Confident | 88.2 | Confident | 54.5 Ų | 54.5 | 57.5 Ų | 57.5 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 174.9 | -63.9 | -64.4 | -175.5 | -170.4 | 5.2 | 112.9 | V2382 Q2422 R2423 R2424 Q2428 Q2429 I2430 | V2382-R2426 HydrophobicContact CG1-CB 3.31Å; V2382-R2426 HydrophobicContact CG1-CG 3.84Å; Q2422-R2426 WeakPolarHBondContact O-CG 3.22Å; Q2422-R2426 PolarHBondContact O-N 3.29Å; Q2422-R2426 VanDerWaalsContact O-N 3.13Å; R2423-R2426 PolarHBondContact O-N 2.92Å; R2424-R2426 VanDerWaalsContact C-N 3.28Å; R2424-R2426 PolarHBondContact O-N 3.14Å; R2426-Q2428 VanDerWaalsContact C-N 3.32Å; R2426-Q2428 PolarHBondContact O-N 2.66Å; R2426-Q2429 WeakPolarHBondContact O-CB 3.23Å; R2426-Q2429 PolarHBondContact O-N 3.31Å; R2426-I2430 WeakPolarHBondContact O-CG1 3.42Å; R2426-I2430 PolarHBondContact O-N 2.98Å |
| 2427 | C | 90.5 | Very high | 88.3 | Confident | 0.5 Ų | 0.5 | 62.3 Ų | 62.3 | 0% | 0.003 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 174.1 | -166.1 | 0 | 0 | 0 | 0 | 111.8 | L2415 R2423 R2424 Q2429 I2430 F2431 | L2415-C2427 HydrophobicContact CB-CB 3.96Å; R2423-C2427 WeakPolarHBondContact O-CB 3.31Å; R2423-C2427 PolarHBondContact O-N 3.16Å; R2424-C2427 WeakPolarHBondContact O-CB 3.37Å; R2424-C2427 PolarHBondContact O-N 2.98Å; R2424-C2427 VanDerWaalsContact O-N 3.1Å; C2427-Q2429 VanDerWaalsContact C-N 3.33Å; C2427-Q2429 PolarHBondContact O-N 2.84Å; C2427-I2430 WeakPolarHBondContact O-CB 3.38Å; C2427-I2430 PolarHBondContact O-N 3.2Å; C2427-F2431 WeakPolarHBondContact O-CD2 3.47Å; C2427-F2431 PolarHBondContact O-N 3.1Å; C2427-F2431 VanDerWaalsContact SG-CE2 3.52Å; C2427-F2431 WeakPolarHBondContact SG-CE2 3.48Å |
| 2428 | Q | 91.3 | Very high | 88.6 | Confident | 70.5 Ų | 70.5 | 62.6 Ų | 62.6 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 174.6 | -68.7 | -62.1 | -26.1 | 0 | 0 | 111.8 | N2416 R2424 D2425 R2426 I2430 F2431 N2432 | N2416-Q2428 PolarHBondContact OD1-NE2 2.96Å; R2424-Q2428 WeakPolarHBondContact O-CG 3.36Å; R2424-Q2428 PolarHBondContact O-N 2.81Å; D2425-Q2428 PolarHBondContact O-N 3.08Å; R2426-Q2428 VanDerWaalsContact C-N 3.32Å; R2426-Q2428 PolarHBondContact O-N 2.66Å; Q2428-I2430 VanDerWaalsContact C-N 3.33Å; Q2428-I2430 PolarHBondContact O-N 3.35Å; Q2428-F2431 PolarHBondContact O-N 3.15Å; Q2428-N2432 VanDerWaalsContact O-CB 3.31Å; Q2428-N2432 WeakPolarHBondContact O-CB 3.18Å; Q2428-N2432 PolarHBondContact O-N 2.98Å; Q2428-N2432 PolarHBondContact O-ND2 2.99Å |
| 2429 | Q | 91.8 | Very high | 88.8 | Confident | 78.5 Ų | 78.5 | 66.8 Ų | 66.8 | 37% | 0.367 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 171.4 | -71.6 | 168.8 | 20.8 | 0 | 0 | 111.7 | I2394 D2425 R2426 C2427 N2432 M2433 | I2394-Q2429 HydrophobicContact CD1-CB 4.38Å; D2425-Q2429 WeakPolarHBondContact O-CG 3.31Å; D2425-Q2429 PolarHBondContact O-N 2.88Å; R2426-Q2429 WeakPolarHBondContact O-CB 3.23Å; R2426-Q2429 PolarHBondContact O-N 3.31Å; C2427-Q2429 VanDerWaalsContact C-N 3.33Å; C2427-Q2429 PolarHBondContact O-N 2.84Å; Q2429-N2432 PolarHBondContact O-N 2.99Å; Q2429-M2433 WeakPolarHBondContact O-CB 3.47Å; Q2429-M2433 WeakPolarHBondContact O-CG 3.35Å; Q2429-M2433 PolarHBondContact O-N 3.16Å |
| 2430 | I | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.8 | -51.5 | 175.8 | -67.9 | 162.4 | 0 | 0 | 0 | 110.4 | I2394 I2397 V2398 L2412 R2426 C2427 Q2428 N2432 M2433 I2434 | I2394-I2430 HydrophobicContact CB-CG1 4.4Å; I2394-I2430 HydrophobicContact CG1-CG1 4.15Å; I2394-I2430 HydrophobicContact CG2-CG1 3.81Å; I2397-I2430 HydrophobicContact CD1-CD1 4.16Å; I2397-I2430 HydrophobicContact CG2-CD1 4.13Å; I2397-I2430 HydrophobicContact CG2-CG2 4.17Å; V2398-I2430 HydrophobicContact CG2-CG2 4.08Å; L2412-I2430 HydrophobicContact CD1-CG2 4.27Å; R2426-I2430 WeakPolarHBondContact O-CG1 3.42Å; R2426-I2430 PolarHBondContact O-N 2.98Å; C2427-I2430 WeakPolarHBondContact O-CB 3.38Å; C2427-I2430 PolarHBondContact O-N 3.2Å; Q2428-I2430 VanDerWaalsContact C-N 3.33Å; Q2428-I2430 PolarHBondContact O-N 3.35Å; I2430-N2432 PolarHBondContact O-N 2.9Å; I2430-M2433 PolarHBondContact O-N 3.12Å; I2430-I2434 HydrophobicContact CG2-CD1 3.66Å; I2430-I2434 WeakPolarHBondContact O-CD1 3.24Å; I2430-I2434 VanDerWaalsContact O-CG1 3.31Å; I2430-I2434 WeakPolarHBondContact O-CG1 3.3Å; I2430-I2434 PolarHBondContact O-N 3.31Å |
| 2431 | F | 92 | Very high | 89.3 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63 | -39.4 | 179.7 | -69.6 | -36.8 | 0 | 0 | 0 | 113.2 | M2409 L2412 N2416 C2427 Q2428 M2433 I2434 K2435 I2445 I2449 | M2409-F2431 HydrophobicContact CE-CE1 4.27Å; M2409-F2431 HydrophobicContact CE-CZ 4.03Å; M2409-F2431 HydrophobicContact SD-CE1 4.24Å; M2409-F2431 HydrophobicContact SD-CZ 4.41Å; L2412-F2431 HydrophobicContact CB-CE1 4.25Å; L2412-F2431 HydrophobicContact CB-CZ 4.13Å; L2412-F2431 HydrophobicContact CD1-CE1 3.93Å; N2416-F2431 HydrophobicContact CB-CE2 4.14Å; C2427-F2431 WeakPolarHBondContact O-CD2 3.47Å; C2427-F2431 PolarHBondContact O-N 3.1Å; C2427-F2431 VanDerWaalsContact SG-CE2 3.52Å; C2427-F2431 WeakPolarHBondContact SG-CE2 3.48Å; Q2428-F2431 PolarHBondContact O-N 3.15Å; F2431-M2433 VanDerWaalsContact C-N 3.34Å; F2431-I2434 HydrophobicContact CD1-CD1 4.37Å; F2431-I2434 PolarHBondContact O-N 3.47Å; F2431-K2435 WeakPolarHBondContact O-CB 3.35Å; F2431-K2435 VanDerWaalsContact O-CG 3.24Å; F2431-K2435 WeakPolarHBondContact O-CG 3.34Å; F2431-K2435 PolarHBondContact O-N 3.28Å; F2431-I2445 HydrophobicContact CD1-CD1 4.13Å; F2431-I2445 HydrophobicContact CD1-CG2 4.04Å; F2431-I2445 HydrophobicContact CD2-CG2 4.5Å; F2431-I2445 HydrophobicContact CE1-CG2 4.15Å; F2431-I2445 HydrophobicContact CG-CG2 4.28Å; F2431-I2445 HydrophobicContact CZ-CG2 4.47Å; F2431-I2449 HydrophobicContact CE2-CD1 4.27Å |
| 2432 | N | 92.2 | Very high | 89.4 | Confident | 86 Ų | 86 | 61.3 Ų | 61.3 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.9 | -71.3 | -18.2 | 0 | 0 | 0 | 110.7 | Q2428 Q2429 I2430 I2434 K2435 T2436 | Q2428-N2432 VanDerWaalsContact O-CB 3.31Å; Q2428-N2432 WeakPolarHBondContact O-CB 3.18Å; Q2428-N2432 PolarHBondContact O-N 2.98Å; Q2428-N2432 PolarHBondContact O-ND2 2.99Å; Q2429-N2432 PolarHBondContact O-N 2.99Å; I2430-N2432 PolarHBondContact O-N 2.9Å; N2432-I2434 VanDerWaalsContact C-N 3.35Å; N2432-I2434 PolarHBondContact O-N 3.03Å; N2432-K2435 PolarHBondContact O-N 3.41Å; N2432-T2436 WeakPolarHBondContact O-CB 3.45Å; N2432-T2436 PolarHBondContact O-N 3.26Å; N2432-T2436 PolarHBondContact O-OG1 3.03Å |
| 2433 | M | 91.5 | Very high | 89.5 | Confident | 71 Ų | 71 | 61.4 Ų | 61.4 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 176.6 | -120.3 | 167.1 | 67.8 | 0 | 0 | 112.6 | I2394 V2398 Q2429 I2430 F2431 T2436 K2437 | I2394-M2433 HydrophobicContact CB-CE 4.41Å; I2394-M2433 HydrophobicContact CG2-CE 3.85Å; I2394-M2433 HydrophobicContact CG2-SD 3.43Å; I2394-M2433 WeakPolarHBondContact CG2-SD 3.18Å; V2398-M2433 HydrophobicContact CB-CE 4.23Å; V2398-M2433 HydrophobicContact CG2-CB 4.13Å; V2398-M2433 HydrophobicContact CG2-CE 4.05Å; V2398-M2433 HydrophobicContact CG2-CG 4.46Å; Q2429-M2433 WeakPolarHBondContact O-CB 3.47Å; Q2429-M2433 WeakPolarHBondContact O-CG 3.35Å; Q2429-M2433 PolarHBondContact O-N 3.16Å; I2430-M2433 PolarHBondContact O-N 3.12Å; F2431-M2433 VanDerWaalsContact C-N 3.34Å; M2433-T2436 PolarHBondContact O-N 3.44Å; M2433-K2437 WeakPolarHBondContact O-CG 3.31Å; M2433-K2437 PolarHBondContact O-N 3.18Å; M2433-K2437 VanDerWaalsContact O-N 3.12Å |
| 2434 | I | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64 | -48.4 | 174.8 | -66.7 | 159.5 | 0 | 0 | 0 | 110.6 | V2398 F2401 I2430 F2431 N2432 T2436 K2437 Q2438 L2441 I2445 | V2398-I2434 HydrophobicContact CB-CG1 4.4Å; V2398-I2434 HydrophobicContact CG1-CG1 3.99Å; V2398-I2434 HydrophobicContact CG2-CD1 4.47Å; V2398-I2434 HydrophobicContact CG2-CG1 4.05Å; F2401-I2434 HydrophobicContact CB-CD1 3.93Å; F2401-I2434 HydrophobicContact CB-CG1 4.47Å; F2401-I2434 HydrophobicContact CD1-CD1 3.61Å; F2401-I2434 HydrophobicContact CD1-CG1 4.13Å; F2401-I2434 HydrophobicContact CD1-CG2 3.84Å; F2401-I2434 HydrophobicContact CD2-CD1 4.11Å; F2401-I2434 HydrophobicContact CE1-CD1 4.1Å; F2401-I2434 HydrophobicContact CE1-CG2 3.88Å; F2401-I2434 HydrophobicContact CE2-CD1 4.49Å; F2401-I2434 HydrophobicContact CG-CD1 3.61Å; F2401-I2434 HydrophobicContact CG-CG1 4.38Å; F2401-I2434 HydrophobicContact CZ-CD1 4.5Å; I2430-I2434 HydrophobicContact CG2-CD1 3.66Å; I2430-I2434 WeakPolarHBondContact O-CD1 3.24Å; I2430-I2434 VanDerWaalsContact O-CG1 3.31Å; I2430-I2434 WeakPolarHBondContact O-CG1 3.3Å; I2430-I2434 PolarHBondContact O-N 3.31Å; F2431-I2434 HydrophobicContact CD1-CD1 4.37Å; F2431-I2434 PolarHBondContact O-N 3.47Å; N2432-I2434 VanDerWaalsContact C-N 3.35Å; N2432-I2434 PolarHBondContact O-N 3.03Å; I2434-T2436 VanDerWaalsContact C-N 3.28Å; I2434-T2436 PolarHBondContact O-N 3.21Å; I2434-K2437 PolarHBondContact O-N 3.04Å; I2434-K2437 VanDerWaalsContact O-N 3.15Å; I2434-Q2438 PolarHBondContact O-N 2.94Å; I2434-L2441 HydrophobicContact CG2-CB 4.35Å; I2434-L2441 HydrophobicContact CG2-CD1 4.09Å; I2434-I2445 HydrophobicContact CB-CD1 4.46Å; I2434-I2445 HydrophobicContact CG2-CD1 3.92Å |
| 2435 | K | 90.4 | Very high | 89.9 | Confident | 75 Ų | 75 | 56.5 Ų | 56.5 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 179.5 | -73.5 | 171.9 | -178 | 177.3 | 0 | 112.1 | F2431 N2432 P2439 I2445 | F2431-K2435 WeakPolarHBondContact O-CB 3.35Å; F2431-K2435 VanDerWaalsContact O-CG 3.24Å; F2431-K2435 WeakPolarHBondContact O-CG 3.34Å; F2431-K2435 PolarHBondContact O-N 3.28Å; N2432-K2435 PolarHBondContact O-N 3.41Å; K2435-P2439 WeakPolarHBondContact O-CA 3.37Å; K2435-I2445 HydrophobicContact CG-CD1 4.32Å |
| 2436 | T | 90.8 | Very high | 90 | Very high | 120.5 Ų | 120.5 | 55.7 Ų | 55.7 | 74% | 0.739 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | N2432 M2433 I2434 | N2432-T2436 WeakPolarHBondContact O-CB 3.45Å; N2432-T2436 PolarHBondContact O-N 3.26Å; N2432-T2436 PolarHBondContact O-OG1 3.03Å; M2433-T2436 PolarHBondContact O-N 3.44Å; I2434-T2436 VanDerWaalsContact C-N 3.28Å; I2434-T2436 PolarHBondContact O-N 3.21Å |
| 2437 | K | 88.6 | Confident | 90.1 | Very high | 116 Ų | 116 | 54.1 Ų | 54.1 | 50% | 0.504 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -79.4 | -39.1 | -178.2 | -74.7 | -172.7 | 175.1 | -169.9 | 0 | 114 | V2398 E2402 M2433 I2434 | V2398-K2437 HydrophobicContact CG1-CD 4.28Å; E2402-K2437 WeakPolarHBondContact OE1-CD 3.2Å; E2402-K2437 IonicContact OE1-NZ 2.87Å; E2402-K2437 PolarHBondContact OE1-NZ 3Å; E2402-K2437 IonicContact OE2-NZ 3.72Å; M2433-K2437 WeakPolarHBondContact O-CG 3.31Å; M2433-K2437 PolarHBondContact O-N 3.18Å; M2433-K2437 VanDerWaalsContact O-N 3.12Å; I2434-K2437 PolarHBondContact O-N 3.04Å; I2434-K2437 VanDerWaalsContact O-N 3.15Å |
| 2438 | Q | 87.7 | Confident | 90.1 | Very high | 58.5 Ų | 58.5 | 54.3 Ų | 54.3 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | trans | -133.6 | 87.1 | -176.7 | -72.7 | -166.5 | -12.5 | 0 | 0 | 110.2 | I2434 H2440 L2441 | I2434-Q2438 PolarHBondContact O-N 2.94Å; Q2438-H2440 VanDerWaalsContact C-N 3.26Å; Q2438-H2440 PolarHBondContact O-N 3.43Å; Q2438-H2440 PolarHBondContact OE1-CE1 3.28Å; Q2438-H2440 VanDerWaalsContact OE1-CE1 3.31Å; Q2438-L2441 HydrophobicContact CB-CD1 4.04Å; Q2438-L2441 HydrophobicContact CB-CG 4.24Å; Q2438-L2441 PolarHBondContact O-N 3.05Å; Q2438-L2441 VanDerWaalsContact O-N 3.1Å | ||
| 2439 | P | 87 | Confident | 90.2 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 61% | 0.61 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.7 | -173.5 | 23.1 | -32.9 | 0 | 0 | 0 | 113.4 | K2435 L2441 S2442 | K2435-P2439 WeakPolarHBondContact O-CA 3.37Å; P2439-L2441 VanDerWaalsContact C-N 3.25Å; P2439-L2441 PolarHBondContact O-N 3.04Å; P2439-S2442 WeakPolarHBondContact O-CB 3.27Å; P2439-S2442 PolarHBondContact O-N 3.18Å; P2439-S2442 VanDerWaalsContact O-N 3.08Å; P2439-S2442 PolarHBondContact O-OG 2.73Å |
| 2440 | H | 86.2 | Confident | 90.1 | Very high | 131 Ų | 131 | 50.2 Ų | 50.2 | 61% | 0.606 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.8 | 177.8 | 72.5 | -84.8 | 0 | 0 | 0 | 113.2 | Q2438 S2442 | Q2438-H2440 VanDerWaalsContact C-N 3.26Å; Q2438-H2440 PolarHBondContact O-N 3.43Å; Q2438-H2440 PolarHBondContact OE1-CE1 3.28Å; Q2438-H2440 VanDerWaalsContact OE1-CE1 3.31Å; H2440-S2442 PolarHBondContact O-N 3.33Å |
| 2441 | L | 87.5 | Confident | 90.1 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -75.5 | -11.2 | 176.5 | -65.7 | 179.9 | 0 | 0 | 0 | 113 | F2401 P2405 I2434 Q2438 P2439 K2443 F2444 I2445 | F2401-L2441 HydrophobicContact CD1-CD1 4.21Å; F2401-L2441 HydrophobicContact CE1-CD1 3.96Å; P2405-L2441 HydrophobicContact CB-CD1 4.36Å; P2405-L2441 HydrophobicContact CB-CD2 4.18Å; P2405-L2441 HydrophobicContact CG-CD2 4.41Å; I2434-L2441 HydrophobicContact CG2-CB 4.35Å; I2434-L2441 HydrophobicContact CG2-CD1 4.09Å; Q2438-L2441 HydrophobicContact CB-CD1 4.04Å; Q2438-L2441 HydrophobicContact CB-CG 4.24Å; Q2438-L2441 PolarHBondContact O-N 3.05Å; Q2438-L2441 VanDerWaalsContact O-N 3.1Å; P2439-L2441 VanDerWaalsContact C-N 3.25Å; P2439-L2441 PolarHBondContact O-N 3.04Å; L2441-K2443 VanDerWaalsContact C-N 3.31Å; L2441-K2443 PolarHBondContact O-N 3.18Å; L2441-F2444 HydrophobicContact CD2-CB 4.44Å; L2441-F2444 HydrophobicContact CD2-CD1 4.31Å; L2441-F2444 PolarHBondContact O-N 3.33Å; L2441-I2445 VanDerWaalsContact O-CG1 3.3Å; L2441-I2445 WeakPolarHBondContact O-CG1 3.48Å; L2441-I2445 PolarHBondContact O-N 3.05Å |
| 2442 | S | 87.9 | Confident | 90 | Very high | 47.5 Ų | 47.5 | 50.2 Ų | 50.2 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 179.2 | 126.4 | 0 | 0 | 0 | 0 | 112.1 | P2439 H2440 I2445 A2446 | P2439-S2442 WeakPolarHBondContact O-CB 3.27Å; P2439-S2442 PolarHBondContact O-N 3.18Å; P2439-S2442 VanDerWaalsContact O-N 3.08Å; P2439-S2442 PolarHBondContact O-OG 2.73Å; H2440-S2442 PolarHBondContact O-N 3.33Å; S2442-I2445 PolarHBondContact O-N 3.48Å; S2442-A2446 WeakPolarHBondContact O-CB 3.3Å; S2442-A2446 PolarHBondContact O-N 3.28Å |
| 2443 | K | 89.1 | Confident | 89.9 | Confident | 85 Ų | 85 | 49.3 Ų | 49.3 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -47.7 | 175.1 | -168.4 | -179 | -170.2 | 178.2 | 0 | 111.2 | L2441 I2445 A2446 D2447 E2490 | L2441-K2443 VanDerWaalsContact C-N 3.31Å; L2441-K2443 PolarHBondContact O-N 3.18Å; K2443-I2445 VanDerWaalsContact C-N 3.32Å; K2443-I2445 PolarHBondContact O-N 3.19Å; K2443-A2446 PolarHBondContact O-N 3.29Å; K2443-A2446 VanDerWaalsContact O-N 3.11Å; K2443-D2447 WeakPolarHBondContact O-CB 3.42Å; K2443-D2447 VanDerWaalsContact O-CG 3.3Å; K2443-D2447 PolarHBondContact O-N 3.14Å; K2443-E2490 WeakPolarHBondContact CE-O 3.37Å; K2443-E2490 VanDerWaalsContact NZ-CB 3.34Å; K2443-E2490 PolarHBondContact NZ-O 3.29Å; K2443-E2490 IonicContact NZ-OE2 3.31Å; K2443-E2490 PolarHBondContact NZ-OE2 3.29Å |
| 2444 | F | 91.1 | Very high | 89.9 | Confident | 13.5 Ų | 13.5 | 48 Ų | 48 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.3 | -43.8 | 177.2 | 169.4 | -104.2 | 0 | 0 | 0 | 112.7 | F2401 P2405 L2406 M2409 L2441 S2448 S2492 I2494 | F2401-F2444 HydrophobicContact CZ-CD1 4.32Å; F2401-F2444 AromaticContact CZ-CE1 3.9Å; F2401-F2444 HydrophobicContact CZ-CE1 4Å; P2405-F2444 HydrophobicContact CB-CE1 4.27Å; L2406-F2444 HydrophobicContact CD2-CD2 4.36Å; L2406-F2444 HydrophobicContact CD2-CE2 3.6Å; L2406-F2444 HydrophobicContact CD2-CZ 3.86Å; M2409-F2444 HydrophobicContact CB-CE1 3.89Å; M2409-F2444 HydrophobicContact CB-CZ 3.89Å; M2409-F2444 HydrophobicContact CG-CE1 4.02Å; M2409-F2444 HydrophobicContact CG-CZ 4.1Å; M2409-F2444 HydrophobicContact SD-CE1 4.24Å; L2441-F2444 HydrophobicContact CD2-CB 4.44Å; L2441-F2444 HydrophobicContact CD2-CD1 4.31Å; L2441-F2444 PolarHBondContact O-N 3.33Å; F2444-S2448 VanDerWaalsContact O-CB 3.23Å; F2444-S2448 WeakPolarHBondContact O-CB 3.27Å; F2444-S2448 PolarHBondContact O-N 3.29Å; F2444-S2448 PolarHBondContact O-OG 3.16Å; F2444-S2492 WeakPolarHBondContact CA-OG 3.47Å; F2444-S2492 PolarHBondContact N-OG 3.14Å; F2444-I2494 HydrophobicContact CD2-CG1 4.49Å; F2444-I2494 HydrophobicContact CE2-CG1 4.14Å |
| 2445 | I | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 177 | -66.8 | 165.1 | 0 | 0 | 0 | 110.3 | F2401 M2409 F2431 I2434 K2435 L2441 S2442 K2443 S2448 I2449 | F2401-I2445 HydrophobicContact CE1-CD1 4.31Å; F2401-I2445 HydrophobicContact CE1-CG1 4.39Å; F2401-I2445 HydrophobicContact CZ-CD1 4.31Å; F2401-I2445 HydrophobicContact CZ-CG1 4.01Å; M2409-I2445 HydrophobicContact CE-CG2 4.38Å; M2409-I2445 HydrophobicContact SD-CG1 4.36Å; F2431-I2445 HydrophobicContact CD1-CD1 4.13Å; F2431-I2445 HydrophobicContact CD1-CG2 4.04Å; F2431-I2445 HydrophobicContact CD2-CG2 4.5Å; F2431-I2445 HydrophobicContact CE1-CG2 4.15Å; F2431-I2445 HydrophobicContact CG-CG2 4.28Å; F2431-I2445 HydrophobicContact CZ-CG2 4.47Å; I2434-I2445 HydrophobicContact CB-CD1 4.46Å; I2434-I2445 HydrophobicContact CG2-CD1 3.92Å; K2435-I2445 HydrophobicContact CG-CD1 4.32Å; L2441-I2445 VanDerWaalsContact O-CG1 3.3Å; L2441-I2445 WeakPolarHBondContact O-CG1 3.48Å; L2441-I2445 PolarHBondContact O-N 3.05Å; S2442-I2445 PolarHBondContact O-N 3.48Å; K2443-I2445 VanDerWaalsContact C-N 3.32Å; K2443-I2445 PolarHBondContact O-N 3.19Å; I2445-S2448 PolarHBondContact O-N 3.29Å; I2445-I2449 HydrophobicContact CG2-CD1 3.75Å; I2445-I2449 HydrophobicContact CG2-CG1 4.47Å; I2445-I2449 WeakPolarHBondContact O-CB 3.3Å; I2445-I2449 VanDerWaalsContact O-CG1 3.26Å; I2445-I2449 WeakPolarHBondContact O-CG1 3.45Å; I2445-I2449 PolarHBondContact O-N 3.26Å |
| 2446 | A | 91.2 | Very high | 89.7 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 45% | 0.446 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | S2442 K2443 S2448 I2449 A2450 | S2442-A2446 WeakPolarHBondContact O-CB 3.3Å; S2442-A2446 PolarHBondContact O-N 3.28Å; K2443-A2446 PolarHBondContact O-N 3.29Å; K2443-A2446 VanDerWaalsContact O-N 3.11Å; A2446-S2448 VanDerWaalsContact C-N 3.33Å; A2446-S2448 PolarHBondContact O-N 3.03Å; A2446-I2449 PolarHBondContact O-N 2.89Å; A2446-A2450 WeakPolarHBondContact O-CB 3.23Å; A2446-A2450 PolarHBondContact O-N 3.05Å |
| 2447 | D | 91.3 | Very high | 89.5 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.5 | -69.4 | -10.6 | 0 | 0 | 0 | 111.3 | K2443 A2450 L2451 F2491 S2492 | K2443-D2447 WeakPolarHBondContact O-CB 3.42Å; K2443-D2447 VanDerWaalsContact O-CG 3.3Å; K2443-D2447 PolarHBondContact O-N 3.14Å; D2447-A2450 PolarHBondContact O-N 3.34Å; D2447-L2451 WeakPolarHBondContact O-CB 3.29Å; D2447-L2451 PolarHBondContact O-N 3.17Å; D2447-F2491 HydrophobicContact CB-CD2 4.14Å; D2447-F2491 HydrophobicContact CB-CE2 3.99Å; D2447-S2492 VanDerWaalsContact OD2-CB 3.23Å; D2447-S2492 WeakPolarHBondContact OD2-CB 3.36Å; D2447-S2492 PolarHBondContact OD2-N 3.19Å; D2447-S2492 PolarHBondContact OD2-OG 3.03Å |
| 2448 | S | 91.6 | Very high | 89.5 | Confident | 3.5 Ų | 3.5 | 39.1 Ų | 39.1 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -42.7 | 178.3 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | F2444 I2445 A2446 L2451 C2452 I2494 | F2444-S2448 VanDerWaalsContact O-CB 3.23Å; F2444-S2448 WeakPolarHBondContact O-CB 3.27Å; F2444-S2448 PolarHBondContact O-N 3.29Å; F2444-S2448 PolarHBondContact O-OG 3.16Å; I2445-S2448 PolarHBondContact O-N 3.29Å; A2446-S2448 VanDerWaalsContact C-N 3.33Å; A2446-S2448 PolarHBondContact O-N 3.03Å; S2448-L2451 PolarHBondContact O-N 2.91Å; S2448-C2452 WeakPolarHBondContact O-CB 3.35Å; S2448-C2452 PolarHBondContact O-N 3.13Å; S2448-C2452 PolarHBondContact O-SG 3.32Å; S2448-I2494 WeakPolarHBondContact OG-CD1 3.42Å |
| 2449 | I | 91.9 | Very high | 89.3 | Confident | 35 Ų | 35 | 36.7 Ų | 36.7 | 18% | 0.179 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 174.5 | -68.5 | 167.9 | 0 | 0 | 0 | 110.1 | M2409 I2413 F2431 I2445 A2446 C2452 N2453 | M2409-I2449 HydrophobicContact CE-CG1 4Å; I2413-I2449 HydrophobicContact CD1-CG1 4.1Å; F2431-I2449 HydrophobicContact CE2-CD1 4.27Å; I2445-I2449 HydrophobicContact CG2-CD1 3.75Å; I2445-I2449 HydrophobicContact CG2-CG1 4.47Å; I2445-I2449 WeakPolarHBondContact O-CB 3.3Å; I2445-I2449 VanDerWaalsContact O-CG1 3.26Å; I2445-I2449 WeakPolarHBondContact O-CG1 3.45Å; I2445-I2449 PolarHBondContact O-N 3.26Å; A2446-I2449 PolarHBondContact O-N 2.89Å; I2449-C2452 PolarHBondContact O-N 2.9Å; I2449-N2453 WeakPolarHBondContact O-CB 3.22Å; I2449-N2453 VanDerWaalsContact O-CG 3.25Å; I2449-N2453 PolarHBondContact O-N 2.96Å; I2449-N2453 PolarHBondContact O-ND2 3.14Å |
| 2450 | A | 91.4 | Very high | 89.1 | Confident | 28 Ų | 28 | 34.5 Ų | 34.5 | 23% | 0.231 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A2446 D2447 C2452 N2453 H2454 L2485 | A2446-A2450 WeakPolarHBondContact O-CB 3.23Å; A2446-A2450 PolarHBondContact O-N 3.05Å; D2447-A2450 PolarHBondContact O-N 3.34Å; A2450-C2452 VanDerWaalsContact C-N 3.34Å; A2450-C2452 PolarHBondContact O-N 3.32Å; A2450-N2453 WeakPolarHBondContact O-CB 3.42Å; A2450-N2453 PolarHBondContact O-N 3.21Å; A2450-H2454 PolarHBondContact O-CD2 3.26Å; A2450-H2454 PolarHBondContact O-N 3.22Å; A2450-H2454 VanDerWaalsContact O-N 3.08Å; A2450-H2454 PolarHBondContact O-ND1 3.29Å; A2450-L2485 HydrophobicContact CB-CD2 3.87Å |
| 2451 | L | 91.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57 | -48.8 | 175.1 | 177.7 | 65.3 | 0 | 0 | 0 | 110.9 | W2410 D2447 S2448 N2453 H2454 L2455 I2482 L2485 I2486 F2491 I2494 L2532 W2553 | W2410-L2451 HydrophobicContact CH2-CD2 4.3Å; D2447-L2451 WeakPolarHBondContact O-CB 3.29Å; D2447-L2451 PolarHBondContact O-N 3.17Å; S2448-L2451 PolarHBondContact O-N 2.91Å; L2451-N2453 VanDerWaalsContact C-N 3.32Å; L2451-N2453 PolarHBondContact O-N 2.88Å; L2451-H2454 PolarHBondContact O-N 3.35Å; L2451-H2454 VanDerWaalsContact O-N 3.16Å; L2451-L2455 HydrophobicContact CD1-CD1 4.3Å; L2451-L2455 HydrophobicContact CD1-CG 4.32Å; L2451-L2455 HydrophobicContact CD2-CD1 4.46Å; L2451-L2455 HydrophobicContact CG-CD1 3.96Å; L2451-L2455 HydrophobicContact CG-CG 4.38Å; L2451-L2455 WeakPolarHBondContact O-CG 3.45Å; L2451-L2455 PolarHBondContact O-N 2.86Å; L2451-I2482 HydrophobicContact CD1-CD1 4.29Å; L2451-I2482 HydrophobicContact CD1-CG1 4.18Å; L2451-L2485 HydrophobicContact CB-CD2 4.35Å; L2451-I2486 HydrophobicContact CD1-CD1 4.03Å; L2451-I2486 HydrophobicContact CD1-CG1 4.18Å; L2451-F2491 HydrophobicContact CD2-CZ 4.33Å; L2451-I2494 HydrophobicContact CB-CD1 4.27Å; L2451-I2494 HydrophobicContact CD2-CD1 3.78Å; L2451-I2494 HydrophobicContact CD2-CG2 4.06Å; L2451-L2532 HydrophobicContact CD2-CD2 4.3Å; L2451-W2553 HydrophobicContact CD2-CH2 4.41Å |
| 2452 | C | 90.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.3 | -36.5 | -179.9 | -68 | 0 | 0 | 0 | 0 | 112.6 | I2413 S2448 I2449 A2450 H2454 L2455 K2456 L2609 | I2413-C2452 HydrophobicContact CD1-CB 4.03Å; I2413-C2452 WeakPolarHBondContact CD1-SG 3.47Å; I2413-C2452 HydrophobicContact CG1-CB 4.49Å; I2413-C2452 HydrophobicContact CG2-CB 4Å; S2448-C2452 WeakPolarHBondContact O-CB 3.35Å; S2448-C2452 PolarHBondContact O-N 3.13Å; S2448-C2452 PolarHBondContact O-SG 3.32Å; I2449-C2452 PolarHBondContact O-N 2.9Å; A2450-C2452 VanDerWaalsContact C-N 3.34Å; A2450-C2452 PolarHBondContact O-N 3.32Å; C2452-H2454 VanDerWaalsContact C-N 3.34Å; C2452-L2455 PolarHBondContact O-N 3.05Å; C2452-K2456 WeakPolarHBondContact O-CB 3.33Å; C2452-K2456 VanDerWaalsContact O-CE 3.31Å; C2452-K2456 WeakPolarHBondContact O-CE 3.42Å; C2452-K2456 WeakPolarHBondContact O-CG 3.33Å; C2452-K2456 PolarHBondContact O-N 3.38Å; C2452-L2609 HydrophobicContact CB-CD2 4.28Å |
| 2453 | N | 90.4 | Very high | 87.7 | Confident | 66.5 Ų | 66.5 | 31.4 Ų | 31.4 | 36% | 0.356 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 173.2 | -73.9 | -26.3 | 0 | 0 | 0 | 112 | I2449 A2450 L2451 K2456 T2457 | I2449-N2453 WeakPolarHBondContact O-CB 3.22Å; I2449-N2453 VanDerWaalsContact O-CG 3.25Å; I2449-N2453 PolarHBondContact O-N 2.96Å; I2449-N2453 PolarHBondContact O-ND2 3.14Å; A2450-N2453 WeakPolarHBondContact O-CB 3.42Å; A2450-N2453 PolarHBondContact O-N 3.21Å; L2451-N2453 VanDerWaalsContact C-N 3.32Å; L2451-N2453 PolarHBondContact O-N 2.88Å; N2453-K2456 PolarHBondContact O-N 2.92Å; N2453-K2456 VanDerWaalsContact OD1-CE 3.23Å; N2453-K2456 WeakPolarHBondContact OD1-CE 3.35Å; N2453-K2456 PolarHBondContact OD1-NZ 3.09Å; N2453-T2457 PolarHBondContact O-N 3.08Å; N2453-T2457 PolarHBondContact O-OG1 3.28Å; N2453-T2457 VanDerWaalsContact O-OG1 3.13Å |
| 2454 | H | 90.4 | Very high | 86.8 | Confident | 43 Ų | 43 | 31.7 Ų | 31.7 | 20% | 0.199 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.5 | -40.1 | 174.9 | -67 | 25 | 0 | 0 | 0 | 112.5 | A2450 L2451 C2452 K2456 T2457 V2458 P2481 I2482 | A2450-H2454 PolarHBondContact O-CD2 3.26Å; A2450-H2454 PolarHBondContact O-N 3.22Å; A2450-H2454 VanDerWaalsContact O-N 3.08Å; A2450-H2454 PolarHBondContact O-ND1 3.29Å; L2451-H2454 PolarHBondContact O-N 3.35Å; L2451-H2454 VanDerWaalsContact O-N 3.16Å; C2452-H2454 VanDerWaalsContact C-N 3.34Å; H2454-K2456 VanDerWaalsContact C-N 3.32Å; H2454-K2456 PolarHBondContact O-N 3.4Å; H2454-T2457 WeakPolarHBondContact O-CA 3.43Å; H2454-T2457 VanDerWaalsContact O-CB 3.27Å; H2454-T2457 WeakPolarHBondContact O-CB 3.45Å; H2454-T2457 PolarHBondContact O-N 3.09Å; H2454-T2457 VanDerWaalsContact O-N 3.12Å; H2454-V2458 WeakPolarHBondContact O-CG2 3.26Å; H2454-V2458 PolarHBondContact O-N 3.22Å; H2454-P2481 VanDerWaalsContact CE1-CB 3.44Å; H2454-P2481 WeakPolarHBondContact CE1-CB 3.48Å; H2454-P2481 VanDerWaalsContact NE2-CB 3.27Å; H2454-P2481 WeakPolarHBondContact NE2-CB 3.36Å; H2454-I2482 HydrophobicContact CB-CB 3.85Å; H2454-I2482 HydrophobicContact CB-CD1 3.8Å; H2454-I2482 HydrophobicContact CB-CG1 3.65Å |
| 2455 | L | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -38.2 | 175.8 | -68.3 | 173.2 | 0 | 0 | 0 | 112.2 | L2451 C2452 T2457 V2458 C2459 I2482 M2551 W2553 L2609 L2615 | L2451-L2455 HydrophobicContact CD1-CD1 4.3Å; L2451-L2455 HydrophobicContact CD1-CG 4.32Å; L2451-L2455 HydrophobicContact CD2-CD1 4.46Å; L2451-L2455 HydrophobicContact CG-CD1 3.96Å; L2451-L2455 HydrophobicContact CG-CG 4.38Å; L2451-L2455 WeakPolarHBondContact O-CG 3.45Å; L2451-L2455 PolarHBondContact O-N 2.86Å; C2452-L2455 PolarHBondContact O-N 3.05Å; L2455-T2457 VanDerWaalsContact C-N 3.31Å; L2455-T2457 PolarHBondContact O-N 3.08Å; L2455-V2458 WeakPolarHBondContact O-CB 3.35Å; L2455-V2458 PolarHBondContact O-N 3.41Å; L2455-C2459 PolarHBondContact O-N 2.96Å; L2455-C2459 PolarHBondContact O-SG 3.14Å; L2455-I2482 HydrophobicContact CD2-CD1 3.82Å; L2455-I2482 HydrophobicContact CG-CD1 4.27Å; L2455-M2551 HydrophobicContact CD2-CE 4.22Å; L2455-M2551 HydrophobicContact CD2-SD 4.28Å; L2455-W2553 HydrophobicContact CD1-CH2 3.89Å; L2455-W2553 HydrophobicContact CD1-CZ2 3.93Å; L2455-W2553 HydrophobicContact CD2-CZ2 3.83Å; L2455-L2609 HydrophobicContact CB-CD1 3.9Å; L2455-L2615 HydrophobicContact CD1-CD1 3.99Å |
| 2456 | K | 87.2 | Confident | 83.9 | Confident | 50.5 Ų | 50.5 | 41.5 Ų | 41.5 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 171.3 | -73.9 | 177.7 | -64 | 179.6 | 0 | 111.8 | D2417 C2452 N2453 H2454 V2458 C2459 G2460 L2609 | D2417-K2456 IonicContact OD1-NZ 3.03Å; D2417-K2456 IonicContact OD2-NZ 3.29Å; D2417-K2456 PolarHBondContact OD2-NZ 3.28Å; C2452-K2456 WeakPolarHBondContact O-CB 3.33Å; C2452-K2456 VanDerWaalsContact O-CE 3.31Å; C2452-K2456 WeakPolarHBondContact O-CE 3.42Å; C2452-K2456 WeakPolarHBondContact O-CG 3.33Å; C2452-K2456 PolarHBondContact O-N 3.38Å; N2453-K2456 PolarHBondContact O-N 2.92Å; N2453-K2456 VanDerWaalsContact OD1-CE 3.23Å; N2453-K2456 WeakPolarHBondContact OD1-CE 3.35Å; N2453-K2456 PolarHBondContact OD1-NZ 3.09Å; H2454-K2456 VanDerWaalsContact C-N 3.32Å; H2454-K2456 PolarHBondContact O-N 3.4Å; K2456-V2458 VanDerWaalsContact C-N 3.33Å; K2456-V2458 PolarHBondContact O-N 2.94Å; K2456-C2459 WeakPolarHBondContact O-CB 3.31Å; K2456-C2459 PolarHBondContact O-N 2.97Å; K2456-G2460 PolarHBondContact O-N 2.91Å; K2456-G2460 VanDerWaalsContact O-N 3.13Å; K2456-L2609 HydrophobicContact CD-CB 4.38Å; K2456-L2609 HydrophobicContact CG-CB 3.98Å; K2456-L2609 HydrophobicContact CG-CD1 4.2Å |
| 2457 | T | 87.1 | Confident | 82.7 | Confident | 75.5 Ų | 75.5 | 45.6 Ų | 45.6 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 173.2 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | N2453 H2454 L2455 C2459 G2460 L2461 | N2453-T2457 PolarHBondContact O-N 3.08Å; N2453-T2457 PolarHBondContact O-OG1 3.28Å; N2453-T2457 VanDerWaalsContact O-OG1 3.13Å; H2454-T2457 WeakPolarHBondContact O-CA 3.43Å; H2454-T2457 VanDerWaalsContact O-CB 3.27Å; H2454-T2457 WeakPolarHBondContact O-CB 3.45Å; H2454-T2457 PolarHBondContact O-N 3.09Å; H2454-T2457 VanDerWaalsContact O-N 3.12Å; L2455-T2457 VanDerWaalsContact C-N 3.31Å; L2455-T2457 PolarHBondContact O-N 3.08Å; T2457-C2459 VanDerWaalsContact C-N 3.32Å; T2457-C2459 PolarHBondContact O-N 3.26Å; T2457-G2460 PolarHBondContact O-N 3.33Å; T2457-G2460 VanDerWaalsContact O-N 3.11Å; T2457-L2461 WeakPolarHBondContact O-CG 3.39Å; T2457-L2461 PolarHBondContact O-N 3.16Å |
| 2458 | V | 86.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 176 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | H2454 L2455 K2456 G2460 L2461 F2473 L2475 V2479 I2482 K2549 M2551 | H2454-V2458 WeakPolarHBondContact O-CG2 3.26Å; H2454-V2458 PolarHBondContact O-N 3.22Å; L2455-V2458 WeakPolarHBondContact O-CB 3.35Å; L2455-V2458 PolarHBondContact O-N 3.41Å; K2456-V2458 VanDerWaalsContact C-N 3.33Å; K2456-V2458 PolarHBondContact O-N 2.94Å; V2458-G2460 VanDerWaalsContact C-N 3.3Å; V2458-G2460 PolarHBondContact O-N 3.16Å; V2458-L2461 PolarHBondContact O-N 3.07Å; V2458-F2473 HydrophobicContact CG1-CZ 4.35Å; V2458-L2475 HydrophobicContact CG2-CD1 4.17Å; V2458-V2479 HydrophobicContact CG2-CB 4.47Å; V2458-V2479 HydrophobicContact CG2-CG1 4.44Å; V2458-V2479 HydrophobicContact CG2-CG2 3.99Å; V2458-I2482 HydrophobicContact CG2-CD1 4.41Å; V2458-K2549 HydrophobicContact CG1-CB 4.35Å; V2458-K2549 HydrophobicContact CG1-CG 4.44Å; V2458-M2551 HydrophobicContact CG1-SD 3.91Å |
| 2459 | C | 84.4 | Confident | 80.7 | Confident | 7.5 Ų | 7.5 | 62.2 Ų | 62.2 | 5% | 0.051 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55 | -47.2 | 175 | -64.8 | 0 | 0 | 0 | 0 | 111 | L2455 K2456 T2457 L2461 K2549 A2565 P2567 | L2455-C2459 PolarHBondContact O-N 2.96Å; L2455-C2459 PolarHBondContact O-SG 3.14Å; K2456-C2459 WeakPolarHBondContact O-CB 3.31Å; K2456-C2459 PolarHBondContact O-N 2.97Å; T2457-C2459 VanDerWaalsContact C-N 3.32Å; T2457-C2459 PolarHBondContact O-N 3.26Å; C2459-L2461 VanDerWaalsContact C-N 3.34Å; C2459-L2461 PolarHBondContact O-N 3.11Å; C2459-K2549 WeakPolarHBondContact O-CE 3.27Å; C2459-K2549 PolarHBondContact O-NZ 2.66Å; C2459-A2565 VanDerWaalsContact SG-CB 3.55Å; C2459-P2567 HydrophobicContact CB-CB 4.15Å; C2459-P2567 VanDerWaalsContact O-CB 3.27Å; C2459-P2567 WeakPolarHBondContact O-CB 3.34Å |
| 2460 | G | 82.7 | Confident | 80.1 | Confident | 48.5 Ų | 48.5 | 63.5 Ų | 63.5 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -75.9 | -9.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K2456 T2457 V2458 M2463 | K2456-G2460 PolarHBondContact O-N 2.91Å; K2456-G2460 VanDerWaalsContact O-N 3.13Å; T2457-G2460 PolarHBondContact O-N 3.33Å; T2457-G2460 VanDerWaalsContact O-N 3.11Å; V2458-G2460 VanDerWaalsContact C-N 3.3Å; V2458-G2460 PolarHBondContact O-N 3.16Å; G2460-M2463 WeakPolarHBondContact O-CG 3.33Å |
| 2461 | L | 83.1 | Confident | 79.8 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 20% | 0.199 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 150.4 | -178.1 | -71.5 | 174.6 | 0 | 0 | 0 | 113.1 | T2457 V2458 C2459 M2463 F2473 T2478 V2479 K2549 | T2457-L2461 WeakPolarHBondContact O-CG 3.39Å; T2457-L2461 PolarHBondContact O-N 3.16Å; V2458-L2461 PolarHBondContact O-N 3.07Å; C2459-L2461 VanDerWaalsContact C-N 3.34Å; C2459-L2461 PolarHBondContact O-N 3.11Å; L2461-M2463 VanDerWaalsContact C-N 3.26Å; L2461-M2463 PolarHBondContact O-N 3.24Å; L2461-F2473 HydrophobicContact CD1-CE2 4.23Å; L2461-F2473 HydrophobicContact CD1-CZ 4.28Å; L2461-T2478 HydrophobicContact CD1-CG2 3.78Å; L2461-T2478 HydrophobicContact CD2-CG2 4.08Å; L2461-T2478 HydrophobicContact CG-CG2 4.47Å; L2461-V2479 HydrophobicContact CD1-CG2 3.53Å; L2461-V2479 VanDerWaalsContact CD1-CG2 3.5Å; L2461-K2549 WeakPolarHBondContact O-CE 3.31Å; L2461-K2549 PolarHBondContact O-NZ 3.13Å |
| 2462 | F | 78.9 | Confident | 79.6 | Confident | 21.5 Ų | 21.5 | 76.6 Ų | 76.6 | 9% | 0.094 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 32.6 | 171.2 | -47.3 | -65.1 | 0 | 0 | 0 | 115.5 | L2470 F2473 T2478 I2541 R2547 | F2462-L2470 HydrophobicContact CD1-CD2 4.29Å; F2462-L2470 HydrophobicContact CE1-CD2 4.28Å; F2462-L2470 HydrophobicContact CE2-CD2 4.45Å; F2462-L2470 HydrophobicContact CG-CD2 4.48Å; F2462-L2470 HydrophobicContact CZ-CD2 4.24Å; F2462-F2473 AromaticContact CD2-CD1 3.91Å; F2462-F2473 HydrophobicContact CD2-CD1 3.91Å; F2462-F2473 AromaticContact CD2-CE1 3.99Å; F2462-F2473 HydrophobicContact CD2-CE1 4.05Å; F2462-F2473 HydrophobicContact CD2-CG 4.33Å; F2462-F2473 HydrophobicContact CE2-CB 3.9Å; F2462-F2473 AromaticContact CE2-CD1 3.47Å; F2462-F2473 HydrophobicContact CE2-CD1 3.47Å; F2462-F2473 VanDerWaalsContact CE2-CD1 3.47Å; F2462-F2473 AromaticContact CE2-CD2 3.78Å; F2462-F2473 HydrophobicContact CE2-CD2 3.78Å; F2462-F2473 AromaticContact CE2-CE1 3.81Å; F2462-F2473 HydrophobicContact CE2-CE1 3.81Å; F2462-F2473 HydrophobicContact CE2-CE2 4.11Å; F2462-F2473 AromaticContact CE2-CG 3.43Å; F2462-F2473 HydrophobicContact CE2-CG 3.43Å; F2462-F2473 VanDerWaalsContact CE2-CG 3.46Å; F2462-F2473 HydrophobicContact CE2-CZ 4.11Å; F2462-F2473 HydrophobicContact CZ-CB 4.07Å; F2462-F2473 HydrophobicContact CZ-CD1 4.45Å; F2462-F2473 HydrophobicContact CZ-CD2 4.35Å; F2462-F2473 HydrophobicContact CZ-CG 4.06Å; F2462-T2478 HydrophobicContact CE2-CG2 4.22Å; F2462-T2478 HydrophobicContact CZ-CG2 3.74Å; F2462-I2541 HydrophobicContact CB-CD1 4.15Å; F2462-I2541 HydrophobicContact CD2-CD1 3.74Å; F2462-I2541 HydrophobicContact CE2-CD1 4.35Å; F2462-I2541 HydrophobicContact CG-CD1 4.12Å; F2462-R2547 PolarHBondContact O-NE 2.82Å; F2462-R2547 VanDerWaalsContact O-NE 3.11Å; F2462-R2547 PolarHBondContact O-NH1 3.36Å |
| 2463 | M | 71.5 | Confident | 79.6 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | trans | -82.8 | -19 | 176.2 | -63.3 | -59.5 | -70.2 | 0 | 0 | 113.4 | G2460 L2461 R2547 K2549 P2567 | G2460-M2463 WeakPolarHBondContact O-CG 3.33Å; L2461-M2463 VanDerWaalsContact C-N 3.26Å; L2461-M2463 PolarHBondContact O-N 3.24Å; M2463-R2547 HydrophobicContact SD-CB 4.31Å; M2463-K2549 PolarHBondContact SD-NZ 3.49Å; M2463-P2567 HydrophobicContact CE-CB 4.46Å; M2463-P2567 HydrophobicContact CE-CG 3.93Å; M2463-P2567 HydrophobicContact SD-CB 4.37Å; M2463-P2567 HydrophobicContact SD-CG 3.76Å | ||
| 2464 | T | 68.8 | Low | 79.5 | Confident | 91.5 Ų | 91.5 | 75 Ų | 75 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -74.2 | 148.4 | -177.6 | 49 | 0 | 0 | 0 | 0 | 112.6 | D2466 R2467 | T2464-D2466 VanDerWaalsContact C-N 3.26Å; T2464-D2466 PolarHBondContact O-N 3.11Å; T2464-R2467 PolarHBondContact O-N 3Å |
| 2465 | A | 61.5 | Low | 79.3 | Confident | 62.5 Ų | 62.5 | 72.9 Ų | 72.9 | 52% | 0.517 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -59.6 | -32.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R2467 R2468 | A2465-R2467 PolarHBondContact O-N 3.15Å; A2465-R2467 VanDerWaalsContact O-N 3.15Å; A2465-R2468 WeakPolarHBondContact O-CG 3.32Å; A2465-R2468 PolarHBondContact O-N 3.09Å |
| 2466 | D | 59.2 | Low | 79 | Confident | 156 Ų | 156 | 79.3 Ų | 79.3 | 83% | 0.834 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -68.6 | -13.8 | -172.5 | -54.5 | -24.2 | 0 | 0 | 0 | 114.4 | T2464 | T2464-D2466 VanDerWaalsContact C-N 3.26Å; T2464-D2466 PolarHBondContact O-N 3.11Å |
| 2467 | R | 67.4 | Low | 78.9 | Confident | 139.5 Ų | 139.5 | 84.8 Ų | 84.8 | 53% | 0.526 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -118 | 31 | -178.4 | -64.9 | -166.6 | 179.4 | -158.7 | 5.4 | 113.4 | T2464 A2465 E2469 L2470 R2547 | T2464-R2467 PolarHBondContact O-N 3Å; A2465-R2467 PolarHBondContact O-N 3.15Å; A2465-R2467 VanDerWaalsContact O-N 3.15Å; R2467-E2469 VanDerWaalsContact C-N 3.29Å; R2467-E2469 PolarHBondContact O-N 3.12Å; R2467-L2470 HydrophobicContact CB-CD1 4.37Å; R2467-L2470 PolarHBondContact O-N 3.16Å; R2467-R2547 PolarHBondContact O-NH1 3.29Å; R2467-R2547 PolarHBondContact O-NH2 3.2Å; R2467-R2547 VanDerWaalsContact O-NH2 3.14Å |
| 2468 | R | 68.3 | Low | 78.7 | Confident | 188 Ų | 188 | 83.9 Ų | 83.9 | 71% | 0.709 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.4 | -178.8 | -83.6 | 179.6 | -180 | -173.2 | 2.8 | 114.1 | A2465 L2470 R2547 | A2465-R2468 WeakPolarHBondContact O-CG 3.32Å; A2465-R2468 PolarHBondContact O-N 3.09Å; R2468-L2470 VanDerWaalsContact C-N 3.3Å; R2468-L2470 PolarHBondContact O-N 3.35Å; R2468-R2547 VanDerWaalsContact CA-NH1 3.31Å; R2468-R2547 PolarHBondContact O-NH1 3.19Å; R2468-R2547 PolarHBondContact O-NH2 3.26Å |
| 2469 | E | 72.8 | Confident | 78.5 | Confident | 187.5 Ų | 187.5 | 84.4 Ų | 84.4 | 88% | 0.876 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -21.6 | -178.1 | -61.6 | -175.6 | 177.4 | 0 | 0 | 113.9 | R2467 R2471 | R2467-E2469 VanDerWaalsContact C-N 3.29Å; R2467-E2469 PolarHBondContact O-N 3.12Å; E2469-R2471 PolarHBondContact O-N 3.45Å |
| 2470 | L | 79.5 | Confident | 78.5 | Confident | 62.5 Ų | 62.5 | 90.9 Ų | 90.9 | 33% | 0.327 | 44% | 0.438 | S | S | . | . | trans | -65.6 | 118.9 | 178.7 | -117.2 | 105.5 | 0 | 0 | 0 | 110.4 | F2462 R2467 R2468 N2472 F2473 I2541 R2547 | F2462-L2470 HydrophobicContact CD1-CD2 4.29Å; F2462-L2470 HydrophobicContact CE1-CD2 4.28Å; F2462-L2470 HydrophobicContact CE2-CD2 4.45Å; F2462-L2470 HydrophobicContact CG-CD2 4.48Å; F2462-L2470 HydrophobicContact CZ-CD2 4.24Å; R2467-L2470 HydrophobicContact CB-CD1 4.37Å; R2467-L2470 PolarHBondContact O-N 3.16Å; R2468-L2470 VanDerWaalsContact C-N 3.3Å; R2468-L2470 PolarHBondContact O-N 3.35Å; L2470-N2472 VanDerWaalsContact CD2-O 3.26Å; L2470-N2472 WeakPolarHBondContact CD2-O 3.44Å; L2470-F2473 HydrophobicContact CD2-CB 4.22Å; L2470-I2541 HydrophobicContact CB-CD1 4.36Å; L2470-I2541 HydrophobicContact CD2-CD1 4.13Å; L2470-R2547 PolarHBondContact O-NH2 2.76Å | ||
| 2471 | R | 83.7 | Confident | 78.6 | Confident | 202.5 Ų | 202.5 | 91.9 Ų | 91.9 | 76% | 0.764 | 44% | 0.436 | S | S | * | . | trans | -103.2 | -19.9 | 176.4 | -66.6 | -167.6 | 178.6 | -152 | 1 | 113.8 | E2469 I2541 | E2469-R2471 PolarHBondContact O-N 3.45Å; R2471-I2541 PolarHBondContact O-N 3.32Å | ||
| 2472 | N | 88.1 | Confident | 78.8 | Confident | 99.5 Ų | 99.5 | 90.1 Ų | 90.1 | 53% | 0.532 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.9 | 178.5 | 55 | 1.6 | 0 | 0 | 0 | 110.5 | L2470 T2538 V2539 | L2470-N2472 VanDerWaalsContact CD2-O 3.26Å; L2470-N2472 WeakPolarHBondContact CD2-O 3.44Å; N2472-T2538 HydrophobicContact CB-CG2 4.27Å; N2472-V2539 CarbonylContact C-O 3.55Å; N2472-V2539 WeakPolarHBondContact CA-O 3.32Å |
| 2473 | F | 90 | Very high | 79 | Confident | 15 Ų | 15 | 89.5 Ų | 89.5 | 7% | 0.066 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.6 | 172.9 | 67.1 | -84.9 | 0 | 0 | 0 | 111.1 | V2458 L2461 F2462 L2470 L2475 T2478 V2539 I2541 K2549 | V2458-F2473 HydrophobicContact CG1-CZ 4.35Å; L2461-F2473 HydrophobicContact CD1-CE2 4.23Å; L2461-F2473 HydrophobicContact CD1-CZ 4.28Å; F2462-F2473 AromaticContact CD2-CD1 3.91Å; F2462-F2473 HydrophobicContact CD2-CD1 3.91Å; F2462-F2473 AromaticContact CD2-CE1 3.99Å; F2462-F2473 HydrophobicContact CD2-CE1 4.05Å; F2462-F2473 HydrophobicContact CD2-CG 4.33Å; F2462-F2473 HydrophobicContact CE2-CB 3.9Å; F2462-F2473 AromaticContact CE2-CD1 3.47Å; F2462-F2473 HydrophobicContact CE2-CD1 3.47Å; F2462-F2473 VanDerWaalsContact CE2-CD1 3.47Å; F2462-F2473 AromaticContact CE2-CD2 3.78Å; F2462-F2473 HydrophobicContact CE2-CD2 3.78Å; F2462-F2473 AromaticContact CE2-CE1 3.81Å; F2462-F2473 HydrophobicContact CE2-CE1 3.81Å; F2462-F2473 HydrophobicContact CE2-CE2 4.11Å; F2462-F2473 AromaticContact CE2-CG 3.43Å; F2462-F2473 HydrophobicContact CE2-CG 3.43Å; F2462-F2473 VanDerWaalsContact CE2-CG 3.46Å; F2462-F2473 HydrophobicContact CE2-CZ 4.11Å; F2462-F2473 HydrophobicContact CZ-CB 4.07Å; F2462-F2473 HydrophobicContact CZ-CD1 4.45Å; F2462-F2473 HydrophobicContact CZ-CD2 4.35Å; F2462-F2473 HydrophobicContact CZ-CG 4.06Å; L2470-F2473 HydrophobicContact CD2-CB 4.22Å; F2473-L2475 HydrophobicContact CE2-CD1 4.29Å; F2473-T2478 HydrophobicContact CD2-CG2 4.44Å; F2473-T2478 WeakPolarHBondContact CD2-OG1 3.5Å; F2473-V2539 HydrophobicContact CD1-CB 4.11Å; F2473-V2539 HydrophobicContact CD1-CG1 4.32Å; F2473-V2539 HydrophobicContact CD2-CB 4.49Å; F2473-V2539 HydrophobicContact CE1-CB 3.65Å; F2473-V2539 HydrophobicContact CE1-CG1 3.48Å; F2473-V2539 VanDerWaalsContact CE1-CG1 3.45Å; F2473-V2539 HydrophobicContact CE2-CB 4.07Å; F2473-V2539 HydrophobicContact CE2-CG1 4.45Å; F2473-V2539 HydrophobicContact CE2-CG2 4.28Å; F2473-V2539 HydrophobicContact CZ-CB 3.64Å; F2473-V2539 HydrophobicContact CZ-CG1 3.56Å; F2473-V2539 HydrophobicContact CZ-CG2 4.15Å; F2473-V2539 PolarHBondContact N-O 3.14Å; F2473-V2539 PolarHBondContact O-N 3.18Å; F2473-I2541 HydrophobicContact CD1-CD1 3.81Å; F2473-I2541 HydrophobicContact CD1-CG1 3.84Å; F2473-I2541 HydrophobicContact CE1-CD1 4.23Å; F2473-I2541 HydrophobicContact CE1-CG1 3.94Å; F2473-K2549 HydrophobicContact CE1-CG 3.99Å; F2473-K2549 HydrophobicContact CZ-CG 4.29Å |
| 2474 | S | 88.7 | Confident | 79.6 | Confident | 19 Ų | 19 | 92.9 Ų | 92.9 | 13% | 0.133 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.9 | 173.8 | 165 | 0 | 0 | 0 | 0 | 110.6 | Q2477 T2478 D2537 | S2474-Q2477 PolarHBondContact O-N 2.81Å; S2474-Q2477 WeakPolarHBondContact OG-CG 3.34Å; S2474-Q2477 PolarHBondContact OG-N 3.01Å; S2474-T2478 WeakPolarHBondContact O-CB 3.41Å; S2474-T2478 PolarHBondContact O-N 2.76Å; S2474-T2478 PolarHBondContact O-OG1 3.38Å; S2474-D2537 CarbonylContact C-O 3.58Å; S2474-D2537 WeakPolarHBondContact CA-O 3.35Å; S2474-D2537 VanDerWaalsContact CB-OD2 3.3Å; S2474-D2537 WeakPolarHBondContact CB-OD2 3.43Å; S2474-D2537 PolarHBondContact OG-OD1 3.08Å; S2474-D2537 VanDerWaalsContact OG-OD1 3.05Å; S2474-D2537 PolarHBondContact OG-OD2 3.18Å |
| 2475 | L | 85.5 | Confident | 80.5 | Confident | 0.5 Ų | 0.5 | 90.2 Ų | 90.2 | 0% | 0.003 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 179.2 | -159.3 | 76.2 | 0 | 0 | 0 | 111.1 | V2458 F2473 Q2477 T2478 V2479 I2482 T2483 I2535 D2537 V2539 | V2458-L2475 HydrophobicContact CG2-CD1 4.17Å; F2473-L2475 HydrophobicContact CE2-CD1 4.29Å; L2475-Q2477 VanDerWaalsContact C-N 3.31Å; L2475-Q2477 PolarHBondContact O-N 3.09Å; L2475-T2478 PolarHBondContact O-N 3.34Å; L2475-V2479 HydrophobicContact CD1-CB 4.23Å; L2475-V2479 HydrophobicContact CD1-CG2 4.39Å; L2475-V2479 CarbonylContact O-C 3.36Å; L2475-V2479 VanDerWaalsContact O-C 3.23Å; L2475-V2479 WeakPolarHBondContact O-CA 3.22Å; L2475-V2479 PolarHBondContact O-N 3.33Å; L2475-I2482 HydrophobicContact CD1-CG2 3.89Å; L2475-I2482 HydrophobicContact CD2-CG2 3.53Å; L2475-I2482 HydrophobicContact CG-CG2 3.7Å; L2475-T2483 HydrophobicContact CB-CG2 4.33Å; L2475-T2483 HydrophobicContact CD2-CG2 3.83Å; L2475-T2483 HydrophobicContact CG-CG2 4.14Å; L2475-I2535 HydrophobicContact CD2-CB 4.2Å; L2475-I2535 HydrophobicContact CD2-CG2 3.92Å; L2475-D2537 WeakPolarHBondContact CB-O 3.33Å; L2475-D2537 PolarHBondContact N-O 3.08Å; L2475-D2537 PolarHBondContact N-OD1 3Å; L2475-D2537 VanDerWaalsContact N-OD1 3.09Å; L2475-V2539 HydrophobicContact CB-CG2 4.36Å; L2475-V2539 HydrophobicContact CD1-CG2 3.85Å; L2475-V2539 VanDerWaalsContact CD1-CG2 3.46Å |
| 2476 | R | 84.5 | Confident | 81.5 | Confident | 134.5 Ų | 134.5 | 87.7 Ų | 87.7 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 177.6 | -73.7 | 175.4 | 174.3 | -168.6 | -1.4 | 112.5 | R2480 T2483 E2487 D2537 | R2476-R2480 WeakPolarHBondContact O-CA 3.5Å; R2476-R2480 VanDerWaalsContact O-CB 3.3Å; R2476-R2480 WeakPolarHBondContact O-CB 3.42Å; R2476-T2483 HydrophobicContact CG-CG2 3.8Å; R2476-E2487 IonicContact CZ-OE1 3.49Å; R2476-E2487 IonicContact NE-OE1 3.47Å; R2476-E2487 IonicContact NH2-OE1 2.85Å; R2476-E2487 PolarHBondContact NH2-OE1 3.14Å; R2476-D2537 VanDerWaalsContact CB-OD1 3.24Å; R2476-D2537 WeakPolarHBondContact CB-OD1 3.31Å; R2476-D2537 WeakPolarHBondContact CG-OD1 3.34Å; R2476-D2537 PolarHBondContact N-OD1 3.38Å |
| 2477 | Q | 84 | Confident | 82.7 | Confident | 166 Ų | 166 | 84.9 Ų | 84.9 | 78% | 0.776 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -77.4 | -39.7 | 177.4 | -68.2 | 178.8 | -2.2 | 0 | 0 | 112 | S2474 L2475 | S2474-Q2477 PolarHBondContact O-N 2.81Å; S2474-Q2477 WeakPolarHBondContact OG-CG 3.34Å; S2474-Q2477 PolarHBondContact OG-N 3.01Å; L2475-Q2477 VanDerWaalsContact C-N 3.31Å; L2475-Q2477 PolarHBondContact O-N 3.09Å |
| 2478 | T | 82.6 | Confident | 83.5 | Confident | 56.5 Ų | 56.5 | 80.5 Ų | 80.5 | 35% | 0.347 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -92.9 | -39.8 | -169.4 | -40.4 | 0 | 0 | 0 | 0 | 113 | L2461 F2462 F2473 S2474 L2475 | L2461-T2478 HydrophobicContact CD1-CG2 3.78Å; L2461-T2478 HydrophobicContact CD2-CG2 4.08Å; L2461-T2478 HydrophobicContact CG-CG2 4.47Å; F2462-T2478 HydrophobicContact CE2-CG2 4.22Å; F2462-T2478 HydrophobicContact CZ-CG2 3.74Å; F2473-T2478 HydrophobicContact CD2-CG2 4.44Å; F2473-T2478 WeakPolarHBondContact CD2-OG1 3.5Å; S2474-T2478 WeakPolarHBondContact O-CB 3.41Å; S2474-T2478 PolarHBondContact O-N 2.76Å; S2474-T2478 PolarHBondContact O-OG1 3.38Å; L2475-T2478 PolarHBondContact O-N 3.34Å |
| 2479 | V | 83.8 | Confident | 83.8 | Confident | 9 Ų | 9 | 77.6 Ų | 77.6 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | trans | -132.4 | 52.9 | -176.9 | -163.2 | 0 | 0 | 0 | 0 | 109.6 | V2458 L2461 L2475 P2481 I2482 | V2458-V2479 HydrophobicContact CG2-CB 4.47Å; V2458-V2479 HydrophobicContact CG2-CG1 4.44Å; V2458-V2479 HydrophobicContact CG2-CG2 3.99Å; L2461-V2479 HydrophobicContact CD1-CG2 3.53Å; L2461-V2479 VanDerWaalsContact CD1-CG2 3.5Å; L2475-V2479 HydrophobicContact CD1-CB 4.23Å; L2475-V2479 HydrophobicContact CD1-CG2 4.39Å; L2475-V2479 CarbonylContact O-C 3.36Å; L2475-V2479 VanDerWaalsContact O-C 3.23Å; L2475-V2479 WeakPolarHBondContact O-CA 3.22Å; L2475-V2479 PolarHBondContact O-N 3.33Å; V2479-P2481 WeakPolarHBondContact O-CD 3.33Å; V2479-I2482 HydrophobicContact CB-CG2 4.15Å; V2479-I2482 HydrophobicContact CG1-CB 4.09Å; V2479-I2482 HydrophobicContact CG1-CG2 4.1Å; V2479-I2482 WeakPolarHBondContact O-CG2 3.33Å; V2479-I2482 PolarHBondContact O-N 3.19Å | ||
| 2480 | R | 83.7 | Confident | 84.2 | Confident | 145.5 Ų | 145.5 | 75.1 Ų | 75.1 | 55% | 0.549 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -44.8 | -34.5 | 178.2 | -160.9 | 175.3 | -177.8 | -174.5 | -0.1 | 115.8 | R2476 I2482 T2483 R2484 | R2476-R2480 WeakPolarHBondContact O-CA 3.5Å; R2476-R2480 VanDerWaalsContact O-CB 3.3Å; R2476-R2480 WeakPolarHBondContact O-CB 3.42Å; R2480-I2482 VanDerWaalsContact C-N 3.3Å; R2480-I2482 PolarHBondContact O-N 3.35Å; R2480-T2483 PolarHBondContact O-OG1 3.09Å; R2480-T2483 VanDerWaalsContact O-OG1 3.06Å; R2480-R2484 HydrophobicContact CG-CG 4.43Å; R2480-R2484 VanDerWaalsContact NH2-NH2 3.17Å; R2480-R2484 WeakPolarHBondContact O-CG 3.33Å; R2480-R2484 PolarHBondContact O-N 3.01Å |
| 2481 | P | 85.8 | Confident | 84.4 | Confident | 68.5 Ų | 68.5 | 73.5 Ų | 73.5 | 45% | 0.445 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.6 | -33.4 | 176 | -28.4 | 38.4 | 0 | 0 | 0 | 114.8 | H2454 V2479 L2485 | H2454-P2481 VanDerWaalsContact CE1-CB 3.44Å; H2454-P2481 WeakPolarHBondContact CE1-CB 3.48Å; H2454-P2481 VanDerWaalsContact NE2-CB 3.27Å; H2454-P2481 WeakPolarHBondContact NE2-CB 3.36Å; V2479-P2481 WeakPolarHBondContact O-CD 3.33Å; P2481-L2485 WeakPolarHBondContact O-CB 3.22Å; P2481-L2485 PolarHBondContact O-N 3.21Å |
| 2482 | I | 86.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.4 | -43.6 | -177.8 | -159.6 | 177.2 | 0 | 0 | 0 | 111.4 | L2451 H2454 L2455 V2458 L2475 V2479 R2480 L2485 I2486 I2535 | L2451-I2482 HydrophobicContact CD1-CD1 4.29Å; L2451-I2482 HydrophobicContact CD1-CG1 4.18Å; H2454-I2482 HydrophobicContact CB-CB 3.85Å; H2454-I2482 HydrophobicContact CB-CD1 3.8Å; H2454-I2482 HydrophobicContact CB-CG1 3.65Å; L2455-I2482 HydrophobicContact CD2-CD1 3.82Å; L2455-I2482 HydrophobicContact CG-CD1 4.27Å; V2458-I2482 HydrophobicContact CG2-CD1 4.41Å; L2475-I2482 HydrophobicContact CD1-CG2 3.89Å; L2475-I2482 HydrophobicContact CD2-CG2 3.53Å; L2475-I2482 HydrophobicContact CG-CG2 3.7Å; V2479-I2482 HydrophobicContact CB-CG2 4.15Å; V2479-I2482 HydrophobicContact CG1-CB 4.09Å; V2479-I2482 HydrophobicContact CG1-CG2 4.1Å; V2479-I2482 WeakPolarHBondContact O-CG2 3.33Å; V2479-I2482 PolarHBondContact O-N 3.19Å; R2480-I2482 VanDerWaalsContact C-N 3.3Å; R2480-I2482 PolarHBondContact O-N 3.35Å; I2482-L2485 PolarHBondContact O-N 3.15Å; I2482-I2486 HydrophobicContact CG1-CD1 3.99Å; I2482-I2486 WeakPolarHBondContact O-CD1 3.41Å; I2482-I2486 VanDerWaalsContact O-CG1 3.3Å; I2482-I2486 WeakPolarHBondContact O-CG1 3.38Å; I2482-I2486 PolarHBondContact O-N 3.33Å; I2482-I2486 VanDerWaalsContact O-N 3.1Å; I2482-I2535 HydrophobicContact CD1-CD1 4.42Å |
| 2483 | T | 83.2 | Confident | 84.6 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69 | -40.8 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | L2475 R2476 R2480 L2485 I2486 E2487 | L2475-T2483 HydrophobicContact CB-CG2 4.33Å; L2475-T2483 HydrophobicContact CD2-CG2 3.83Å; L2475-T2483 HydrophobicContact CG-CG2 4.14Å; R2476-T2483 HydrophobicContact CG-CG2 3.8Å; R2480-T2483 PolarHBondContact O-OG1 3.09Å; R2480-T2483 VanDerWaalsContact O-OG1 3.06Å; T2483-L2485 VanDerWaalsContact C-N 3.33Å; T2483-L2485 PolarHBondContact O-N 3.14Å; T2483-I2486 PolarHBondContact O-N 3.26Å; T2483-E2487 WeakPolarHBondContact O-CB 3.41Å; T2483-E2487 VanDerWaalsContact O-CG 3.24Å; T2483-E2487 WeakPolarHBondContact O-CG 3.37Å; T2483-E2487 PolarHBondContact O-N 3.26Å |
| 2484 | R | 84.1 | Confident | 84.6 | Confident | 137.5 Ų | 137.5 | 69.5 Ų | 69.5 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 174.2 | -76.2 | 177.3 | 170.3 | 173.5 | -7.1 | 113.1 | R2480 S2488 | R2480-R2484 HydrophobicContact CG-CG 4.43Å; R2480-R2484 VanDerWaalsContact NH2-NH2 3.17Å; R2480-R2484 WeakPolarHBondContact O-CG 3.33Å; R2480-R2484 PolarHBondContact O-N 3.01Å; R2484-S2488 WeakPolarHBondContact O-CB 3.41Å; R2484-S2488 PolarHBondContact O-N 3.16Å |
| 2485 | L | 86.8 | Confident | 84.7 | Confident | 34.5 Ų | 34.5 | 68.6 Ų | 68.6 | 18% | 0.181 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -49.8 | 177.3 | -178.6 | 67.6 | 0 | 0 | 0 | 110.3 | A2450 L2451 P2481 I2482 T2483 S2488 F2491 | A2450-L2485 HydrophobicContact CB-CD2 3.87Å; L2451-L2485 HydrophobicContact CB-CD2 4.35Å; P2481-L2485 WeakPolarHBondContact O-CB 3.22Å; P2481-L2485 PolarHBondContact O-N 3.21Å; I2482-L2485 PolarHBondContact O-N 3.15Å; T2483-L2485 VanDerWaalsContact C-N 3.33Å; T2483-L2485 PolarHBondContact O-N 3.14Å; L2485-S2488 WeakPolarHBondContact O-CB 3.27Å; L2485-S2488 PolarHBondContact O-N 3.32Å; L2485-S2488 PolarHBondContact O-OG 3.04Å; L2485-F2491 HydrophobicContact CD1-CD2 4.18Å; L2485-F2491 HydrophobicContact CD1-CE2 4.36Å; L2485-F2491 HydrophobicContact CD2-CE2 4.07Å; L2485-F2491 HydrophobicContact CG-CD2 3.93Å; L2485-F2491 HydrophobicContact CG-CE2 3.79Å; L2485-F2491 WeakPolarHBondContact O-CB 3.25Å; L2485-F2491 WeakPolarHBondContact O-CD2 3.46Å; L2485-F2491 WeakPolarHBondContact O-CG 3.27Å |
| 2486 | I | 84.3 | Confident | 85 | Confident | 10.5 Ų | 10.5 | 68.6 Ų | 68.6 | 5% | 0.054 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.2 | -40.3 | -176.2 | -61.9 | 162.1 | 0 | 0 | 0 | 111.9 | L2451 I2482 T2483 S2488 F2491 L2532 T2533 I2535 | L2451-I2486 HydrophobicContact CD1-CD1 4.03Å; L2451-I2486 HydrophobicContact CD1-CG1 4.18Å; I2482-I2486 HydrophobicContact CG1-CD1 3.99Å; I2482-I2486 WeakPolarHBondContact O-CD1 3.41Å; I2482-I2486 VanDerWaalsContact O-CG1 3.3Å; I2482-I2486 WeakPolarHBondContact O-CG1 3.38Å; I2482-I2486 PolarHBondContact O-N 3.33Å; I2482-I2486 VanDerWaalsContact O-N 3.1Å; T2483-I2486 PolarHBondContact O-N 3.26Å; I2486-S2488 PolarHBondContact O-N 3.37Å; I2486-F2491 HydrophobicContact CB-CE1 4.38Å; I2486-F2491 HydrophobicContact CG1-CE1 4.25Å; I2486-F2491 HydrophobicContact CG1-CZ 4.26Å; I2486-F2491 HydrophobicContact CG2-CD1 4.49Å; I2486-F2491 HydrophobicContact CG2-CE1 4.41Å; I2486-L2532 HydrophobicContact CD1-CD2 4.01Å; I2486-L2532 HydrophobicContact CG1-CD2 4.18Å; I2486-L2532 HydrophobicContact CG2-CD2 4.25Å; I2486-L2532 HydrophobicContact CG2-CG 4.23Å; I2486-T2533 WeakPolarHBondContact CG2-O 3.47Å; I2486-I2535 HydrophobicContact CD1-CD1 3.5Å; I2486-I2535 VanDerWaalsContact CD1-CD1 3.46Å; I2486-I2535 HydrophobicContact CD1-CG1 3.87Å |
| 2487 | E | 82.8 | Confident | 85.3 | Confident | 97.5 Ų | 97.5 | 62.3 Ų | 62.3 | 46% | 0.456 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -6.9 | 179.5 | -66.4 | 169.6 | 177.4 | 0 | 0 | 112.8 | R2476 T2483 S2489 | R2476-E2487 IonicContact CZ-OE1 3.49Å; R2476-E2487 IonicContact NE-OE1 3.47Å; R2476-E2487 IonicContact NH2-OE1 2.85Å; R2476-E2487 PolarHBondContact NH2-OE1 3.14Å; T2483-E2487 WeakPolarHBondContact O-CB 3.41Å; T2483-E2487 VanDerWaalsContact O-CG 3.24Å; T2483-E2487 WeakPolarHBondContact O-CG 3.37Å; T2483-E2487 PolarHBondContact O-N 3.26Å; E2487-S2489 PolarHBondContact O-N 3.22Å |
| 2488 | S | 84.5 | Confident | 85.6 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -67.3 | 132.2 | 176 | 73.4 | 0 | 0 | 0 | 0 | 110.4 | R2484 L2485 I2486 E2490 F2491 | R2484-S2488 WeakPolarHBondContact O-CB 3.41Å; R2484-S2488 PolarHBondContact O-N 3.16Å; L2485-S2488 WeakPolarHBondContact O-CB 3.27Å; L2485-S2488 PolarHBondContact O-N 3.32Å; L2485-S2488 PolarHBondContact O-OG 3.04Å; I2486-S2488 PolarHBondContact O-N 3.37Å; S2488-E2490 PolarHBondContact O-N 2.95Å; S2488-F2491 WeakPolarHBondContact O-CB 3.44Å; S2488-F2491 PolarHBondContact O-N 2.9Å; S2488-F2491 VanDerWaalsContact O-N 3.1Å; S2488-F2491 PolarHBondContact OG-N 3.41Å |
| 2489 | S | 74.9 | Confident | 85.9 | Confident | 129 Ų | 129 | 53.7 Ų | 53.7 | 90% | 0.902 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -17.9 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | E2487 | E2487-S2489 PolarHBondContact O-N 3.22Š|
| 2490 | E | 80.6 | Confident | 85.9 | Confident | 133.5 Ų | 133.5 | 60.2 Ų | 60.2 | 62% | 0.624 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -5.9 | -177.9 | -85.1 | -160.3 | -146.1 | 0 | 0 | 114.4 | K2443 S2488 S2492 | K2443-E2490 WeakPolarHBondContact CE-O 3.37Å; K2443-E2490 VanDerWaalsContact NZ-CB 3.34Å; K2443-E2490 PolarHBondContact NZ-O 3.29Å; K2443-E2490 IonicContact NZ-OE2 3.31Å; K2443-E2490 PolarHBondContact NZ-OE2 3.29Å; S2488-E2490 PolarHBondContact O-N 2.95Å; E2490-S2492 PolarHBondContact O-N 3.09Å |
| 2491 | F | 84.9 | Confident | 86.2 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 13% | 0.132 | 26% | 0.259 | C | S | . | . | trans | -64.4 | 131.2 | -177.1 | -172.5 | -123.3 | 0 | 0 | 0 | 111.7 | D2447 L2451 L2485 I2486 S2488 I2494 | D2447-F2491 HydrophobicContact CB-CD2 4.14Å; D2447-F2491 HydrophobicContact CB-CE2 3.99Å; L2451-F2491 HydrophobicContact CD2-CZ 4.33Å; L2485-F2491 HydrophobicContact CD1-CD2 4.18Å; L2485-F2491 HydrophobicContact CD1-CE2 4.36Å; L2485-F2491 HydrophobicContact CD2-CE2 4.07Å; L2485-F2491 HydrophobicContact CG-CD2 3.93Å; L2485-F2491 HydrophobicContact CG-CE2 3.79Å; L2485-F2491 WeakPolarHBondContact O-CB 3.25Å; L2485-F2491 WeakPolarHBondContact O-CD2 3.46Å; L2485-F2491 WeakPolarHBondContact O-CG 3.27Å; I2486-F2491 HydrophobicContact CB-CE1 4.38Å; I2486-F2491 HydrophobicContact CG1-CE1 4.25Å; I2486-F2491 HydrophobicContact CG1-CZ 4.26Å; I2486-F2491 HydrophobicContact CG2-CD1 4.49Å; I2486-F2491 HydrophobicContact CG2-CE1 4.41Å; S2488-F2491 WeakPolarHBondContact O-CB 3.44Å; S2488-F2491 PolarHBondContact O-N 2.9Å; S2488-F2491 VanDerWaalsContact O-N 3.1Å; S2488-F2491 PolarHBondContact OG-N 3.41Å; F2491-I2494 HydrophobicContact CE1-CB 4.46Å; F2491-I2494 HydrophobicContact CE1-CD1 4.27Å; F2491-I2494 HydrophobicContact CE1-CG1 4.3Å; F2491-I2494 HydrophobicContact CE2-CD1 3.92Å; F2491-I2494 HydrophobicContact CZ-CB 4.44Å; F2491-I2494 HydrophobicContact CZ-CD1 3.49Å; F2491-I2494 VanDerWaalsContact CZ-CD1 3.47Å; F2491-I2494 HydrophobicContact CZ-CG1 3.99Å | ||
| 2492 | S | 87.2 | Confident | 86.3 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | trans | -64 | 148.7 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | F2444 D2447 E2490 I2494 | F2444-S2492 WeakPolarHBondContact CA-OG 3.47Å; F2444-S2492 PolarHBondContact N-OG 3.14Å; D2447-S2492 VanDerWaalsContact OD2-CB 3.23Å; D2447-S2492 WeakPolarHBondContact OD2-CB 3.36Å; D2447-S2492 PolarHBondContact OD2-N 3.19Å; D2447-S2492 PolarHBondContact OD2-OG 3.03Å; E2490-S2492 PolarHBondContact O-N 3.09Å; S2492-I2494 PolarHBondContact O-N 3.36Å | ||
| 2493 | R | 87.5 | Confident | 86.1 | Confident | 208.5 Ų | 208.5 | 53 Ų | 53 | 79% | 0.787 | 25% | 0.254 | S | S | * | . | trans | -67.5 | 105.8 | 175.5 | -64 | -176.3 | -172.1 | 179 | 2.2 | 109.8 | L2406 C2531 | L2406-R2493 WeakPolarHBondContact CD2-O 3.37Å; R2493-C2531 HydrophobicContact CB-CB 4.45Å | ||
| 2494 | I | 89.8 | Confident | 86 | Confident | 3.5 Ų | 3.5 | 52.9 Ų | 52.9 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | trans | -102.2 | 130.7 | 176.1 | -60.9 | -172.1 | 0 | 0 | 0 | 109.6 | W2410 F2444 S2448 L2451 F2491 S2492 C2531 L2532 | W2410-I2494 HydrophobicContact CH2-CG2 4.35Å; W2410-I2494 HydrophobicContact CZ2-CG2 3.73Å; F2444-I2494 HydrophobicContact CD2-CG1 4.49Å; F2444-I2494 HydrophobicContact CE2-CG1 4.14Å; S2448-I2494 WeakPolarHBondContact OG-CD1 3.42Å; L2451-I2494 HydrophobicContact CB-CD1 4.27Å; L2451-I2494 HydrophobicContact CD2-CD1 3.78Å; L2451-I2494 HydrophobicContact CD2-CG2 4.06Å; F2491-I2494 HydrophobicContact CE1-CB 4.46Å; F2491-I2494 HydrophobicContact CE1-CD1 4.27Å; F2491-I2494 HydrophobicContact CE1-CG1 4.3Å; F2491-I2494 HydrophobicContact CE2-CD1 3.92Å; F2491-I2494 HydrophobicContact CZ-CB 4.44Å; F2491-I2494 HydrophobicContact CZ-CD1 3.49Å; F2491-I2494 VanDerWaalsContact CZ-CD1 3.47Å; F2491-I2494 HydrophobicContact CZ-CG1 3.99Å; S2492-I2494 PolarHBondContact O-N 3.36Å; I2494-C2531 CarbonylContact O-C 3.57Å; I2494-C2531 VanDerWaalsContact O-CA 3.3Å; I2494-C2531 WeakPolarHBondContact O-CA 3.27Å; I2494-C2531 WeakPolarHBondContact O-CB 3.27Å; I2494-L2532 PolarHBondContact O-N 2.92Å | ||
| 2495 | L | 92 | Very high | 85.6 | Confident | 0.5 Ų | 0.5 | 50.3 Ų | 50.3 | 0% | 0.003 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 136.8 | 179.4 | -173.2 | 80.2 | 0 | 0 | 0 | 111.7 | L2406 Q2407 W2410 P2497 Q2501 L2502 L2529 | L2406-L2495 HydrophobicContact CB-CB 4.13Å; Q2407-L2495 HydrophobicContact CG-CD2 3.88Å; W2410-L2495 VanDerWaalsContact CZ2-O 3.3Å; W2410-L2495 WeakPolarHBondContact CZ2-O 3.45Å; W2410-L2495 PolarHBondContact NE1-O 3.14Å; W2410-L2495 VanDerWaalsContact NE1-O 3.11Å; L2495-P2497 WeakPolarHBondContact O-CD 3.41Å; L2495-Q2501 HydrophobicContact CD1-CB 4.32Å; L2495-Q2501 VanDerWaalsContact CD1-OE1 3.26Å; L2495-Q2501 HydrophobicContact CD2-CB 4.11Å; L2495-Q2501 HydrophobicContact CG-CB 4.43Å; L2495-L2502 HydrophobicContact CD2-CD2 4.05Å; L2495-L2529 HydrophobicContact CD1-CB 4.02Å; L2495-L2529 HydrophobicContact CD1-CD2 4.2Å; L2495-L2529 HydrophobicContact CD1-CG 4.49Å |
| 2496 | I | 92.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -71.8 | 123.1 | 168.4 | -56.4 | -170.7 | 0 | 0 | 0 | 108.9 | I2498 Q2501 V2530 L2532 W2553 Y2561 I2563 | I2496-I2498 VanDerWaalsContact C-N 3.31Å; I2496-I2498 HydrophobicContact CG2-CG2 4.06Å; I2496-I2498 PolarHBondContact O-N 2.92Å; I2496-Q2501 PolarHBondContact O-NE2 3.3Å; I2496-V2530 HydrophobicContact CD1-CG1 4.16Å; I2496-V2530 PolarHBondContact N-O 3.13Å; I2496-L2532 HydrophobicContact CG1-CB 4.13Å; I2496-W2553 HydrophobicContact CD1-CB 4.24Å; I2496-W2553 HydrophobicContact CG1-CE3 4.22Å; I2496-W2553 HydrophobicContact CG2-CE3 4.2Å; I2496-Y2561 HydrophobicContact CD1-CD2 3.76Å; I2496-Y2561 HydrophobicContact CD1-CE2 4.38Å; I2496-Y2561 HydrophobicContact CD1-CG 4.35Å; I2496-Y2561 HydrophobicContact CG2-CG 4.29Å; I2496-I2563 HydrophobicContact CG2-CD1 3.95Å | ||
| 2497 | P | 90.5 | Very high | 83.8 | Confident | 2.5 Ų | 2.5 | 52.4 Ų | 52.4 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | trans | -84.4 | 74.9 | -170 | 36.4 | -38.1 | 0 | 0 | 0 | 111.7 | W2410 L2495 L2502 I2563 A2605 I2607 | W2410-P2497 HydrophobicContact CD2-CB 3.94Å; W2410-P2497 HydrophobicContact CD2-CG 4.28Å; W2410-P2497 HydrophobicContact CE3-CB 4.4Å; W2410-P2497 HydrophobicContact CE3-CG 4.29Å; W2410-P2497 HydrophobicContact CG-CB 4.14Å; W2410-P2497 HydrophobicContact CH2-CG 4.11Å; W2410-P2497 HydrophobicContact CZ2-CB 4.16Å; W2410-P2497 HydrophobicContact CZ2-CG 3.82Å; W2410-P2497 HydrophobicContact CZ3-CG 4.26Å; L2495-P2497 WeakPolarHBondContact O-CD 3.41Å; P2497-L2502 HydrophobicContact CB-CD1 4.2Å; P2497-I2563 HydrophobicContact CG-CD1 4.3Å; P2497-A2605 WeakPolarHBondContact O-CB 3.39Å; P2497-I2607 HydrophobicContact CB-CD1 4.19Å; P2497-I2607 HydrophobicContact CB-CG1 3.62Å; P2497-I2607 HydrophobicContact CG-CG1 4.24Å | ||
| 2498 | I | 90.1 | Very high | 82.8 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.046 | 27% | 0.273 | C | S | . | . | trans | -100.3 | 150.9 | 172.7 | 58.1 | -179.6 | 0 | 0 | 0 | 110.7 | I2496 R2500 Q2501 L2502 Y2561 | I2496-I2498 VanDerWaalsContact C-N 3.31Å; I2496-I2498 HydrophobicContact CG2-CG2 4.06Å; I2496-I2498 PolarHBondContact O-N 2.92Å; I2498-R2500 VanDerWaalsContact C-N 3.28Å; I2498-R2500 HydrophobicContact CD1-CG 3.8Å; I2498-R2500 VanDerWaalsContact CD1-NE 3.34Å; I2498-R2500 HydrophobicContact CG1-CG 4Å; I2498-R2500 PolarHBondContact O-N 3.05Å; I2498-R2500 VanDerWaalsContact O-N 3.16Å; I2498-Q2501 HydrophobicContact CD1-CG 3.88Å; I2498-Q2501 HydrophobicContact CG1-CB 4.05Å; I2498-Q2501 HydrophobicContact CG1-CG 3.61Å; I2498-Q2501 PolarHBondContact O-N 2.87Å; I2498-L2502 PolarHBondContact O-N 2.97Å; I2498-Y2561 HydrophobicContact CD1-CD1 4.08Å; I2498-Y2561 HydrophobicContact CD1-CE1 3.62Å; I2498-Y2561 HydrophobicContact CG2-CD1 3.84Å; I2498-Y2561 HydrophobicContact CG2-CE1 4.22Å; I2498-Y2561 HydrophobicContact CG2-CG 4.44Å | ||
| 2499 | H | 88.5 | Confident | 81.6 | Confident | 32.5 Ų | 32.5 | 56.3 Ų | 56.3 | 15% | 0.15 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.1 | -43.9 | -171.5 | -171.8 | 79.1 | 0 | 0 | 0 | 112.8 | Q2501 L2502 V2503 T2603 A2605 E2617 | H2499-Q2501 PolarHBondContact O-N 3.25Å; H2499-Q2501 VanDerWaalsContact O-N 3.16Å; H2499-L2502 PolarHBondContact O-N 3.24Å; H2499-L2502 VanDerWaalsContact O-N 3.12Å; H2499-V2503 VanDerWaalsContact CE1-CG2 3.48Å; H2499-V2503 WeakPolarHBondContact CE1-CG2 3.34Å; H2499-V2503 WeakPolarHBondContact NE2-CG2 3.31Å; H2499-V2503 PolarHBondContact O-N 3.39Å; H2499-V2503 VanDerWaalsContact O-N 3.15Å; H2499-T2603 PolarHBondContact CD2-OG1 2.84Å; H2499-T2603 WeakPolarHBondContact NE2-CB 3.41Å; H2499-T2603 PolarHBondContact NE2-OG1 2.9Å; H2499-A2605 HydrophobicContact CB-CB 4.29Å; H2499-E2617 PolarHBondContact N-OE2 3Å |
| 2500 | R | 84.9 | Confident | 80.8 | Confident | 144.5 Ų | 144.5 | 56.6 Ų | 56.6 | 55% | 0.545 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.8 | -25.7 | -179.3 | 130.7 | 179.6 | -179.7 | 145.2 | 4.2 | 114.2 | I2498 E2524 | I2498-R2500 VanDerWaalsContact C-N 3.28Å; I2498-R2500 HydrophobicContact CD1-CG 3.8Å; I2498-R2500 VanDerWaalsContact CD1-NE 3.34Å; I2498-R2500 HydrophobicContact CG1-CG 4Å; I2498-R2500 PolarHBondContact O-N 3.05Å; I2498-R2500 VanDerWaalsContact O-N 3.16Å; R2500-E2524 IonicContact CZ-OE1 2.72Å; R2500-E2524 IonicContact CZ-OE2 3.68Å; R2500-E2524 VanDerWaalsContact NH1-CD 3.31Å; R2500-E2524 IonicContact NH1-OE1 2.73Å; R2500-E2524 PolarHBondContact NH1-OE1 3.48Å; R2500-E2524 IonicContact NH1-OE2 3.29Å; R2500-E2524 IonicContact NH2-OE1 3.3Å; R2500-E2524 PolarHBondContact NH2-OE1 3.36Å; R2500-E2524 IonicContact NH2-OE2 2.73Å; R2500-E2524 PolarHBondContact NH2-OE2 3.26Å; R2500-E2524 VanDerWaalsContact NH2-OE2 3.12Å |
| 2501 | Q | 88.9 | Confident | 79.9 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -92.5 | -14.6 | -179.8 | -64.3 | -163.9 | 103.6 | 0 | 0 | 113.2 | Q2407 L2495 I2496 I2498 H2499 F2522 V2530 | Q2407-Q2501 WeakPolarHBondContact CG-O 3.47Å; L2495-Q2501 HydrophobicContact CD1-CB 4.32Å; L2495-Q2501 VanDerWaalsContact CD1-OE1 3.26Å; L2495-Q2501 HydrophobicContact CD2-CB 4.11Å; L2495-Q2501 HydrophobicContact CG-CB 4.43Å; I2496-Q2501 PolarHBondContact O-NE2 3.3Å; I2498-Q2501 HydrophobicContact CD1-CG 3.88Å; I2498-Q2501 HydrophobicContact CG1-CB 4.05Å; I2498-Q2501 HydrophobicContact CG1-CG 3.61Å; I2498-Q2501 PolarHBondContact O-N 2.87Å; H2499-Q2501 PolarHBondContact O-N 3.25Å; H2499-Q2501 VanDerWaalsContact O-N 3.16Å; Q2501-F2522 VanDerWaalsContact O-CD1 3.24Å; Q2501-F2522 WeakPolarHBondContact O-CD1 3.38Å; Q2501-V2530 PolarHBondContact NE2-O 3.43Å; Q2501-V2530 VanDerWaalsContact NE2-O 3.09Å; Q2501-V2530 PolarHBondContact OE1-O 3Å |
| 2502 | L | 87.4 | Confident | 79 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -104.1 | -19.2 | -177 | -61.3 | 176.3 | 0 | 0 | 0 | 112.8 | Y2372 Q2407 F2411 L2495 P2497 I2498 H2499 A2605 I2607 | Y2372-L2502 VanDerWaalsContact CE1-O 3.27Å; Y2372-L2502 WeakPolarHBondContact CE1-O 3.31Å; Y2372-L2502 PolarHBondContact OH-O 2.94Å; Q2407-L2502 HydrophobicContact CB-CD2 4.25Å; Q2407-L2502 HydrophobicContact CG-CD2 4.45Å; F2411-L2502 HydrophobicContact CE2-CD2 4.22Å; F2411-L2502 HydrophobicContact CZ-CB 4.5Å; L2495-L2502 HydrophobicContact CD2-CD2 4.05Å; P2497-L2502 HydrophobicContact CB-CD1 4.2Å; I2498-L2502 PolarHBondContact O-N 2.97Å; H2499-L2502 PolarHBondContact O-N 3.24Å; H2499-L2502 VanDerWaalsContact O-N 3.12Å; L2502-A2605 HydrophobicContact CD1-CB 4.19Å; L2502-I2607 HydrophobicContact CD1-CD1 3.69Å |
| 2503 | V | 83.2 | Confident | 77.9 | Confident | 44.5 Ų | 44.5 | 56.2 Ų | 56.2 | 27% | 0.27 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -99.2 | 125.5 | 179 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | H2499 | H2499-V2503 VanDerWaalsContact CE1-CG2 3.48Å; H2499-V2503 WeakPolarHBondContact CE1-CG2 3.34Å; H2499-V2503 WeakPolarHBondContact NE2-CG2 3.31Å; H2499-V2503 PolarHBondContact O-N 3.39Å; H2499-V2503 VanDerWaalsContact O-N 3.15Å |
| 2504 | P | 81.1 | Confident | 76.9 | Confident | 6.5 Ų | 6.5 | 53.2 Ų | 53.2 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 132.5 | 177.8 | 29 | -34.2 | 0 | 0 | 0 | 111.5 | Y2372 T2373 H2506 P2521 F2522 K2586 | Y2372-P2504 HydrophobicContact CD1-CG 4.17Å; T2373-P2504 HydrophobicContact CG2-CG 3.64Å; P2504-H2506 PolarHBondContact O-NE2 3.45Å; P2504-P2521 CarbonylContact C-O 3.59Å; P2504-P2521 WeakPolarHBondContact CA-O 3.4Å; P2504-P2521 HydrophobicContact CB-CB 3.75Å; P2504-P2521 HydrophobicContact CB-CG 4.41Å; P2504-F2522 HydrophobicContact CB-CE1 4.27Å; P2504-F2522 HydrophobicContact CB-CZ 4.42Å; P2504-K2586 PolarHBondContact O-NZ 3.29Å |
| 2505 | N | 75.1 | Confident | 75.9 | Confident | 81.5 Ų | 81.5 | 58 Ų | 58 | 44% | 0.436 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 140.9 | 163.7 | -65.5 | -24.9 | 0 | 0 | 0 | 109.6 | H2519 P2521 A2523 | N2505-H2519 PolarHBondContact O-CE1 2.97Å; N2505-H2519 VanDerWaalsContact O-CE1 3.26Å; N2505-H2519 PolarHBondContact O-NE2 2.79Å; N2505-P2521 VanDerWaalsContact CB-O 3.24Å; N2505-P2521 WeakPolarHBondContact CB-O 3.46Å; N2505-P2521 PolarHBondContact N-O 2.88Å; N2505-P2521 PolarHBondContact ND2-O 3.35Å; N2505-A2523 WeakPolarHBondContact ND2-CA 3.4Å |
| 2506 | H | 67.9 | Low | 74.7 | Confident | 55.5 Ų | 55.5 | 59.6 Ų | 59.6 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 152.1 | 179.8 | -63 | -58 | 0 | 0 | 0 | 110.8 | Y2309 P2504 K2586 | Y2309-H2506 AromaticContact CE2-CD2 3.7Å; Y2309-H2506 AromaticContact CE2-CE1 3.65Å; Y2309-H2506 AromaticContact CE2-NE2 3.31Å; Y2309-H2506 WeakPolarHBondContact CE2-NE2 3.43Å; Y2309-H2506 AromaticContact CZ-CE1 3.96Å; Y2309-H2506 AromaticContact CZ-NE2 3.47Å; Y2309-H2506 VanDerWaalsContact CZ-NE2 3.27Å; Y2309-H2506 PolarHBondContact OH-NE2 3.12Å; P2504-H2506 PolarHBondContact O-NE2 3.45Å; H2506-K2586 PolarHBondContact CD2-NZ 3.34Å; H2506-K2586 PolarHBondContact NE2-NZ 3.36Å |
| 2507 | L | 65.9 | Low | 73.5 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 152.2 | 172 | -72.9 | 168.3 | 0 | 0 | 0 | 110.9 | A2511 I2516 H2519 | L2507-A2511 HydrophobicContact CB-CB 3.84Å; L2507-A2511 HydrophobicContact CD1-CB 3.99Å; L2507-A2511 HydrophobicContact CD2-CB 4.23Å; L2507-A2511 HydrophobicContact CG-CB 4.25Å; L2507-I2516 HydrophobicContact CD1-CB 4.21Å; L2507-I2516 HydrophobicContact CD1-CG1 3.67Å; L2507-H2519 HydrophobicContact CD1-CB 3.97Å; L2507-H2519 HydrophobicContact CD2-CB 4.08Å; L2507-H2519 WeakPolarHBondContact CD2-CD2 3.47Å; L2507-H2519 WeakPolarHBondContact CD2-ND1 3.49Å; L2507-H2519 HydrophobicContact CG-CB 4.19Å |
| 2508 | L | 62.5 | Low | 72.5 | Confident | 144 Ų | 144 | 70.9 Ų | 70.9 | 75% | 0.754 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 150 | 170.7 | -73 | 154.4 | 0 | 0 | 0 | 110.1 | N2510 A2511 | L2508-N2510 PolarHBondContact O-N 3.41Å; L2508-A2511 PolarHBondContact O-N 3.42Å |
| 2509 | P | 58 | Low | 71.7 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 53% | 0.532 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 131.5 | 171.8 | -19.4 | 30.4 | 0 | 0 | 0 | 109.7 | ||
| 2510 | N | 58.9 | Low | 71.1 | Confident | 135 Ų | 135 | 74.1 Ų | 74.1 | 72% | 0.722 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 32 | -177.4 | -45 | -29.3 | 0 | 0 | 0 | 115.8 | L2508 T2512 | L2508-N2510 PolarHBondContact O-N 3.41Å; N2510-T2512 PolarHBondContact O-N 2.97Å |
| 2511 | A | 61.5 | Low | 70.7 | Confident | 17.5 Ų | 17.5 | 67.2 Ų | 67.2 | 15% | 0.145 | 36% | 0.363 | C | S | . | . | trans | -57.1 | 140.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2507 L2508 Q2515 I2516 | L2507-A2511 HydrophobicContact CB-CB 3.84Å; L2507-A2511 HydrophobicContact CD1-CB 3.99Å; L2507-A2511 HydrophobicContact CD2-CB 4.23Å; L2507-A2511 HydrophobicContact CG-CB 4.25Å; L2508-A2511 PolarHBondContact O-N 3.42Å; A2511-Q2515 VanDerWaalsContact CA-OE1 3.29Å; A2511-Q2515 HydrophobicContact CB-CB 4.18Å; A2511-I2516 HydrophobicContact CB-CG1 4.19Å | ||
| 2512 | T | 65.4 | Low | 70.3 | Confident | 59.5 Ų | 59.5 | 67.1 Ų | 67.1 | 37% | 0.365 | 36% | 0.362 | S | S | . | . | trans | -67.3 | 155.8 | 179.7 | 63.9 | 0 | 0 | 0 | 0 | 110.8 | N2510 E2514 Q2515 I2516 | N2510-T2512 PolarHBondContact O-N 2.97Å; T2512-E2514 PolarHBondContact O-N 3.35Å; T2512-E2514 VanDerWaalsContact O-N 3.13Å; T2512-Q2515 WeakPolarHBondContact O-CA 3.43Å; T2512-Q2515 WeakPolarHBondContact O-CB 3.4Å; T2512-Q2515 PolarHBondContact O-N 2.96Å; T2512-Q2515 VanDerWaalsContact OG1-CG 3.27Å; T2512-Q2515 WeakPolarHBondContact OG1-CG 3.33Å; T2512-Q2515 PolarHBondContact OG1-N 3.24Å; T2512-I2516 WeakPolarHBondContact O-CG1 3.47Å; T2512-I2516 PolarHBondContact O-N 2.91Å | ||
| 2513 | P | 64.4 | Low | 69.3 | Low | 99 Ų | 99 | 68.4 Ų | 68.4 | 64% | 0.643 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -53.3 | -35 | 176 | -25.3 | 33.7 | 0 | 0 | 0 | 112.8 | I2516 A2517 | P2513-I2516 PolarHBondContact O-N 2.83Å; P2513-A2517 WeakPolarHBondContact O-CB 3.37Å; P2513-A2517 PolarHBondContact O-N 3Å |
| 2514 | E | 65.9 | Low | 68.4 | Low | 146 Ų | 146 | 70.9 Ų | 70.9 | 68% | 0.682 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.4 | -44 | 175.6 | -63.8 | 170.3 | 178 | 0 | 0 | 112.2 | T2512 I2516 A2517 H2518 | T2512-E2514 PolarHBondContact O-N 3.35Å; T2512-E2514 VanDerWaalsContact O-N 3.13Å; E2514-I2516 VanDerWaalsContact C-N 3.29Å; E2514-I2516 PolarHBondContact O-N 3.32Å; E2514-A2517 PolarHBondContact O-N 3.39Å; E2514-H2518 PolarHBondContact O-CD2 3.35Å; E2514-H2518 VanDerWaalsContact O-CD2 3.26Å; E2514-H2518 PolarHBondContact O-N 3.06Å; E2514-H2518 VanDerWaalsContact O-N 3.08Å; E2514-H2518 PolarHBondContact O-ND1 2.67Å |
| 2515 | Q | 68.8 | Low | 67.7 | Low | 103.5 Ų | 103.5 | 75.8 Ų | 75.8 | 48% | 0.484 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 174.6 | -73.9 | 171.1 | -15.8 | 0 | 0 | 111.3 | A2511 T2512 H2519 | A2511-Q2515 VanDerWaalsContact CA-OE1 3.29Å; A2511-Q2515 HydrophobicContact CB-CB 4.18Å; T2512-Q2515 WeakPolarHBondContact O-CA 3.43Å; T2512-Q2515 WeakPolarHBondContact O-CB 3.4Å; T2512-Q2515 PolarHBondContact O-N 2.96Å; T2512-Q2515 VanDerWaalsContact OG1-CG 3.27Å; T2512-Q2515 WeakPolarHBondContact OG1-CG 3.33Å; T2512-Q2515 PolarHBondContact OG1-N 3.24Å; Q2515-H2519 WeakPolarHBondContact O-CA 3.45Å; Q2515-H2519 VanDerWaalsContact O-CB 3.29Å; Q2515-H2519 WeakPolarHBondContact O-CB 3.46Å; Q2515-H2519 PolarHBondContact O-N 3.36Å |
| 2516 | I | 68 | Low | 67.3 | Low | 34.5 Ų | 34.5 | 75.3 Ų | 75.3 | 18% | 0.177 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66 | -44.1 | 176 | -64.3 | 163.1 | 0 | 0 | 0 | 111 | Y2303 P2367 L2507 A2511 T2512 P2513 E2514 H2518 H2519 | Y2303-I2516 WeakPolarHBondContact O-CD1 3.44Å; P2367-I2516 HydrophobicContact CG-CG2 3.76Å; L2507-I2516 HydrophobicContact CD1-CB 4.21Å; L2507-I2516 HydrophobicContact CD1-CG1 3.67Å; A2511-I2516 HydrophobicContact CB-CG1 4.19Å; T2512-I2516 WeakPolarHBondContact O-CG1 3.47Å; T2512-I2516 PolarHBondContact O-N 2.91Å; P2513-I2516 PolarHBondContact O-N 2.83Å; E2514-I2516 VanDerWaalsContact C-N 3.29Å; E2514-I2516 PolarHBondContact O-N 3.32Å; I2516-H2518 VanDerWaalsContact C-N 3.35Å; I2516-H2518 PolarHBondContact O-N 3.3Å; I2516-H2519 WeakPolarHBondContact O-CB 3.27Å; I2516-H2519 PolarHBondContact O-N 3.47Å |
| 2517 | A | 67.4 | Low | 67.4 | Low | 76 Ų | 76 | 79.4 Ų | 79.4 | 63% | 0.628 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.7 | -37.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P2513 E2514 | P2513-A2517 WeakPolarHBondContact O-CB 3.37Å; P2513-A2517 PolarHBondContact O-N 3Å; E2514-A2517 PolarHBondContact O-N 3.39Å |
| 2518 | H | 69.3 | Low | 67.9 | Low | 163 Ų | 163 | 85.3 Ų | 85.3 | 76% | 0.755 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 8.6 | -179.1 | -62.6 | 12.4 | 0 | 0 | 0 | 113.9 | E2514 I2516 W2520 | E2514-H2518 PolarHBondContact O-CD2 3.35Å; E2514-H2518 VanDerWaalsContact O-CD2 3.26Å; E2514-H2518 PolarHBondContact O-N 3.06Å; E2514-H2518 VanDerWaalsContact O-N 3.08Å; E2514-H2518 PolarHBondContact O-ND1 2.67Å; I2516-H2518 VanDerWaalsContact C-N 3.35Å; I2516-H2518 PolarHBondContact O-N 3.3Å; H2518-W2520 PolarHBondContact O-N 2.98Å; H2518-W2520 VanDerWaalsContact O-N 3.11Å |
| 2519 | H | 73.3 | Confident | 69 | Low | 36.5 Ų | 36.5 | 79.2 Ų | 79.2 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | trans | -69.3 | 117.5 | -177.5 | -176.2 | -35.2 | 0 | 0 | 0 | 111.6 | Y2369 N2505 L2507 Q2515 I2516 P2521 | Y2369-H2519 HydrophobicContact CE1-CB 4.5Å; N2505-H2519 PolarHBondContact O-CE1 2.97Å; N2505-H2519 VanDerWaalsContact O-CE1 3.26Å; N2505-H2519 PolarHBondContact O-NE2 2.79Å; L2507-H2519 HydrophobicContact CD1-CB 3.97Å; L2507-H2519 HydrophobicContact CD2-CB 4.08Å; L2507-H2519 WeakPolarHBondContact CD2-CD2 3.47Å; L2507-H2519 WeakPolarHBondContact CD2-ND1 3.49Å; L2507-H2519 HydrophobicContact CG-CB 4.19Å; Q2515-H2519 WeakPolarHBondContact O-CA 3.45Å; Q2515-H2519 VanDerWaalsContact O-CB 3.29Å; Q2515-H2519 WeakPolarHBondContact O-CB 3.46Å; Q2515-H2519 PolarHBondContact O-N 3.36Å; I2516-H2519 WeakPolarHBondContact O-CB 3.27Å; I2516-H2519 PolarHBondContact O-N 3.47Å; H2519-P2521 WeakPolarHBondContact O-CD 3.45Å | ||
| 2520 | W | 75.1 | Confident | 70.5 | Confident | 72.5 Ų | 72.5 | 75.7 Ų | 75.7 | 28% | 0.275 | 40% | 0.396 | S | S | . | . | trans | -93.8 | 116.1 | 165.6 | -174.4 | -108.8 | 0 | 0 | 0 | 109.6 | Y2404 H2518 F2522 E2524 P2526 L2529 | Y2404-W2520 AromaticContact CD1-CH2 3.79Å; Y2404-W2520 HydrophobicContact CD1-CH2 3.96Å; Y2404-W2520 HydrophobicContact CD1-CZ3 4.16Å; Y2404-W2520 HydrophobicContact CE1-CE3 4.23Å; Y2404-W2520 AromaticContact CE1-CH2 3.82Å; Y2404-W2520 HydrophobicContact CE1-CH2 3.93Å; Y2404-W2520 AromaticContact CE1-CZ3 3.67Å; Y2404-W2520 HydrophobicContact CE1-CZ3 3.67Å; H2518-W2520 PolarHBondContact O-N 2.98Å; H2518-W2520 VanDerWaalsContact O-N 3.11Å; W2520-F2522 AromaticContact CE2-CD2 3.89Å; W2520-F2522 HydrophobicContact CH2-CD2 4.46Å; W2520-F2522 AromaticContact CZ2-CD2 3.8Å; W2520-F2522 HydrophobicContact CZ2-CD2 3.8Å; W2520-F2522 PolarHBondContact O-N 3.4Å; W2520-E2524 PolarHBondContact NE1-O 2.97Å; W2520-P2526 HydrophobicContact CD2-CG 4.02Å; W2520-P2526 HydrophobicContact CE3-CG 4.23Å; W2520-P2526 HydrophobicContact CG-CG 4.39Å; W2520-P2526 HydrophobicContact CH2-CB 4.38Å; W2520-P2526 HydrophobicContact CH2-CG 4.09Å; W2520-P2526 HydrophobicContact CZ2-CB 4.17Å; W2520-P2526 HydrophobicContact CZ2-CG 4.14Å; W2520-P2526 HydrophobicContact CZ3-CG 4.09Å; W2520-L2529 HydrophobicContact CZ2-CD1 4.37Å | ||
| 2521 | P | 77.5 | Confident | 72 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -80.1 | -16.7 | -168.5 | 31.1 | -37 | 0 | 0 | 0 | 114.4 | Y2369 Y2404 P2504 N2505 H2519 | Y2369-P2521 HydrophobicContact CD2-CB 4.26Å; Y2369-P2521 HydrophobicContact CG-CB 4.17Å; Y2369-P2521 HydrophobicContact CG-CG 4.49Å; Y2404-P2521 HydrophobicContact CE1-CG 3.99Å; Y2404-P2521 WeakPolarHBondContact OH-CG 3.48Å; P2504-P2521 CarbonylContact C-O 3.59Å; P2504-P2521 WeakPolarHBondContact CA-O 3.4Å; P2504-P2521 HydrophobicContact CB-CB 3.75Å; P2504-P2521 HydrophobicContact CB-CG 4.41Å; N2505-P2521 VanDerWaalsContact CB-O 3.24Å; N2505-P2521 WeakPolarHBondContact CB-O 3.46Å; N2505-P2521 PolarHBondContact N-O 2.88Å; N2505-P2521 PolarHBondContact ND2-O 3.35Å; H2519-P2521 WeakPolarHBondContact O-CD 3.45Å | ||
| 2522 | F | 79.7 | Confident | 73.4 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -100.5 | 70.6 | -173.6 | -58.8 | -74 | 0 | 0 | 0 | 113.2 | Y2372 Y2404 Q2407 Q2501 P2504 W2520 E2524 L2529 | Y2372-F2522 HydrophobicContact CD1-CE1 4.26Å; Y2372-F2522 AromaticContact CD1-CZ 3.65Å; Y2372-F2522 HydrophobicContact CD1-CZ 3.88Å; Y2372-F2522 HydrophobicContact CD2-CZ 4.26Å; Y2372-F2522 AromaticContact CE1-CE1 3.74Å; Y2372-F2522 HydrophobicContact CE1-CE1 3.74Å; Y2372-F2522 AromaticContact CE1-CZ 3.66Å; Y2372-F2522 HydrophobicContact CE1-CZ 3.66Å; Y2372-F2522 VanDerWaalsContact CE1-CZ 3.46Å; Y2372-F2522 HydrophobicContact CE2-CZ 4.21Å; Y2372-F2522 HydrophobicContact CG-CZ 4.28Å; Y2372-F2522 AromaticContact CZ-CE1 3.99Å; Y2372-F2522 AromaticContact CZ-CZ 3.84Å; Y2404-F2522 AromaticContact CD1-CD2 3.99Å; Y2404-F2522 HydrophobicContact CD1-CD2 4.16Å; Y2404-F2522 AromaticContact CD1-CE2 3.55Å; Y2404-F2522 HydrophobicContact CD1-CE2 3.55Å; Y2404-F2522 HydrophobicContact CD1-CZ 4.47Å; Y2404-F2522 HydrophobicContact CD2-CE2 4.34Å; Y2404-F2522 HydrophobicContact CE1-CD2 4.36Å; Y2404-F2522 AromaticContact CE1-CE2 3.89Å; Y2404-F2522 HydrophobicContact CE1-CE2 3.89Å; Y2404-F2522 AromaticContact CG-CE2 3.8Å; Y2404-F2522 HydrophobicContact CG-CE2 3.8Å; Y2404-F2522 HydrophobicContact CG-CZ 4.38Å; Q2407-F2522 HydrophobicContact CB-CZ 4.35Å; Q2407-F2522 HydrophobicContact CG-CD1 4.35Å; Q2407-F2522 HydrophobicContact CG-CD2 4.15Å; Q2407-F2522 HydrophobicContact CG-CE1 4.11Å; Q2407-F2522 HydrophobicContact CG-CE2 4.17Å; Q2407-F2522 HydrophobicContact CG-CG 4.25Å; Q2407-F2522 HydrophobicContact CG-CZ 4.02Å; Q2501-F2522 VanDerWaalsContact O-CD1 3.24Å; Q2501-F2522 WeakPolarHBondContact O-CD1 3.38Å; P2504-F2522 HydrophobicContact CB-CE1 4.27Å; P2504-F2522 HydrophobicContact CB-CZ 4.42Å; W2520-F2522 AromaticContact CE2-CD2 3.89Å; W2520-F2522 HydrophobicContact CH2-CD2 4.46Å; W2520-F2522 AromaticContact CZ2-CD2 3.8Å; W2520-F2522 HydrophobicContact CZ2-CD2 3.8Å; W2520-F2522 PolarHBondContact O-N 3.4Å; F2522-E2524 PolarHBondContact O-N 2.96Å; F2522-L2529 HydrophobicContact CB-CD2 4.2Å |
| 2523 | A | 66.4 | Low | 74.6 | Confident | 39.5 Ų | 39.5 | 70.4 Ų | 70.4 | 33% | 0.326 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -109.1 | -104 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N2505 Q2525 L2529 | N2505-A2523 WeakPolarHBondContact ND2-CA 3.4Å; A2523-Q2525 VanDerWaalsContact CB-O 3.28Å; A2523-Q2525 WeakPolarHBondContact CB-O 3.32Å; A2523-L2529 HydrophobicContact CB-CD2 4.45Å |
| 2524 | E | 64.2 | Low | 75.8 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -92 | 48.6 | 173.6 | -73.5 | 173.9 | 168.8 | 0 | 0 | 110 | R2500 W2520 F2522 R2528 | R2500-E2524 IonicContact CZ-OE1 2.72Å; R2500-E2524 IonicContact CZ-OE2 3.68Å; R2500-E2524 VanDerWaalsContact NH1-CD 3.31Å; R2500-E2524 IonicContact NH1-OE1 2.73Å; R2500-E2524 PolarHBondContact NH1-OE1 3.48Å; R2500-E2524 IonicContact NH1-OE2 3.29Å; R2500-E2524 IonicContact NH2-OE1 3.3Å; R2500-E2524 PolarHBondContact NH2-OE1 3.36Å; R2500-E2524 IonicContact NH2-OE2 2.73Å; R2500-E2524 PolarHBondContact NH2-OE2 3.26Å; R2500-E2524 VanDerWaalsContact NH2-OE2 3.12Å; W2520-E2524 PolarHBondContact NE1-O 2.97Å; F2522-E2524 PolarHBondContact O-N 2.96Å; E2524-R2528 HydrophobicContact CB-CB 3.82Å; E2524-R2528 HydrophobicContact CG-CB 4.27Å; E2524-R2528 IonicContact OE2-CZ 3.69Å; E2524-R2528 IonicContact OE2-NH1 3.58Å; E2524-R2528 PolarHBondContact OE2-NH1 3.1Å; E2524-R2528 VanDerWaalsContact OE2-O 3.1Å |
| 2525 | Q | 66.7 | Low | 77 | Confident | 108.5 Ų | 108.5 | 62.7 Ų | 62.7 | 51% | 0.507 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -97.7 | 152.3 | 175.9 | -68.6 | -179.4 | -33.6 | 0 | 0 | 110.8 | A2523 D2527 R2528 | A2523-Q2525 VanDerWaalsContact CB-O 3.28Å; A2523-Q2525 WeakPolarHBondContact CB-O 3.32Å; Q2525-D2527 VanDerWaalsContact C-N 3.31Å; Q2525-D2527 WeakPolarHBondContact CB-OD1 3.38Å; Q2525-D2527 PolarHBondContact O-N 3.2Å; Q2525-R2528 HydrophobicContact CB-CG 4.39Å; Q2525-R2528 WeakPolarHBondContact O-CA 3.44Å; Q2525-R2528 PolarHBondContact O-N 2.93Å |
| 2526 | P | 65.8 | Low | 78.1 | Confident | 72.5 Ų | 72.5 | 61.2 Ų | 61.2 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -56.3 | -34.8 | -175 | -24.1 | 32.9 | 0 | 0 | 0 | 114.3 | W2520 R2528 L2529 | W2520-P2526 HydrophobicContact CD2-CG 4.02Å; W2520-P2526 HydrophobicContact CE3-CG 4.23Å; W2520-P2526 HydrophobicContact CG-CG 4.39Å; W2520-P2526 HydrophobicContact CH2-CB 4.38Å; W2520-P2526 HydrophobicContact CH2-CG 4.09Å; W2520-P2526 HydrophobicContact CZ2-CB 4.17Å; W2520-P2526 HydrophobicContact CZ2-CG 4.14Å; W2520-P2526 HydrophobicContact CZ3-CG 4.09Å; P2526-R2528 VanDerWaalsContact C-N 3.26Å; P2526-R2528 PolarHBondContact O-N 3.14Å; P2526-L2529 WeakPolarHBondContact O-CG 3.29Å; P2526-L2529 PolarHBondContact O-N 3.31Å |
| 2527 | D | 70.2 | Confident | 79.2 | Confident | 140.5 Ų | 140.5 | 62 Ų | 62 | 75% | 0.751 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -73.3 | -14.2 | -179.9 | 1.6 | -27.4 | 0 | 0 | 0 | 113.8 | Q2525 L2529 | Q2525-D2527 VanDerWaalsContact C-N 3.31Å; Q2525-D2527 WeakPolarHBondContact CB-OD1 3.38Å; Q2525-D2527 PolarHBondContact O-N 3.2Å; D2527-L2529 VanDerWaalsContact C-N 3.33Å |
| 2528 | R | 77.4 | Confident | 80.4 | Confident | 158.5 Ų | 158.5 | 62.6 Ų | 62.6 | 60% | 0.598 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -96 | 4.6 | 178.9 | -67.1 | -172.3 | 177.7 | -167.2 | -4.9 | 113.9 | E2524 Q2525 P2526 V2530 | E2524-R2528 HydrophobicContact CB-CB 3.82Å; E2524-R2528 HydrophobicContact CG-CB 4.27Å; E2524-R2528 IonicContact OE2-CZ 3.69Å; E2524-R2528 IonicContact OE2-NH1 3.58Å; E2524-R2528 PolarHBondContact OE2-NH1 3.1Å; E2524-R2528 VanDerWaalsContact OE2-O 3.1Å; Q2525-R2528 HydrophobicContact CB-CG 4.39Å; Q2525-R2528 WeakPolarHBondContact O-CA 3.44Å; Q2525-R2528 PolarHBondContact O-N 2.93Å; P2526-R2528 VanDerWaalsContact C-N 3.26Å; P2526-R2528 PolarHBondContact O-N 3.14Å; R2528-V2530 PolarHBondContact O-N 3.33Å |
| 2529 | L | 84.8 | Confident | 81.5 | Confident | 16.5 Ų | 16.5 | 54.8 Ų | 54.8 | 9% | 0.086 | 28% | 0.279 | C | S | . | . | trans | -64.2 | 131.8 | 173.5 | -67.9 | 175.1 | 0 | 0 | 0 | 110.4 | L2406 L2495 W2520 F2522 A2523 P2526 D2527 C2531 S2556 | L2406-L2529 HydrophobicContact CD1-CD1 3.97Å; L2495-L2529 HydrophobicContact CD1-CB 4.02Å; L2495-L2529 HydrophobicContact CD1-CD2 4.2Å; L2495-L2529 HydrophobicContact CD1-CG 4.49Å; W2520-L2529 HydrophobicContact CZ2-CD1 4.37Å; F2522-L2529 HydrophobicContact CB-CD2 4.2Å; A2523-L2529 HydrophobicContact CB-CD2 4.45Å; P2526-L2529 WeakPolarHBondContact O-CG 3.29Å; P2526-L2529 PolarHBondContact O-N 3.31Å; D2527-L2529 VanDerWaalsContact C-N 3.33Å; L2529-C2531 PolarHBondContact O-N 3.37Å; L2529-S2556 PolarHBondContact O-OG 3.18Å | ||
| 2530 | V | 89 | Confident | 82.3 | Confident | 8.5 Ų | 8.5 | 57.1 Ų | 57.1 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | trans | -85.7 | 106 | -179.2 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | I2496 Q2501 R2528 S2556 D2557 Y2561 | I2496-V2530 HydrophobicContact CD1-CG1 4.16Å; I2496-V2530 PolarHBondContact N-O 3.13Å; Q2501-V2530 PolarHBondContact NE2-O 3.43Å; Q2501-V2530 VanDerWaalsContact NE2-O 3.09Å; Q2501-V2530 PolarHBondContact OE1-O 3Å; R2528-V2530 PolarHBondContact O-N 3.33Å; V2530-S2556 WeakPolarHBondContact CA-OG 3.29Å; V2530-D2557 WeakPolarHBondContact CG1-OD1 3.2Å; V2530-D2557 HydrophobicContact CG2-CB 4.35Å; V2530-Y2561 HydrophobicContact CG1-CD2 4.44Å; V2530-Y2561 HydrophobicContact CG1-CE2 3.62Å | ||
| 2531 | C | 90.7 | Very high | 83 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 10% | 0.101 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -97 | 153.7 | 177.5 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | R2493 I2494 L2529 T2533 G2555 S2556 | R2493-C2531 HydrophobicContact CB-CB 4.45Å; I2494-C2531 CarbonylContact O-C 3.57Å; I2494-C2531 VanDerWaalsContact O-CA 3.3Å; I2494-C2531 WeakPolarHBondContact O-CA 3.27Å; I2494-C2531 WeakPolarHBondContact O-CB 3.27Å; L2529-C2531 PolarHBondContact O-N 3.37Å; C2531-T2533 PolarHBondContact O-N 2.97Å; C2531-G2555 CarbonylContact O-C 3.56Å; C2531-G2555 WeakPolarHBondContact O-CA 3.36Å; C2531-S2556 PolarHBondContact N-OG 3.44Å; C2531-S2556 PolarHBondContact O-N 3.16Å |
| 2532 | L | 92.2 | Very high | 83.4 | Confident | 11.5 Ų | 11.5 | 55.8 Ų | 55.8 | 6% | 0.06 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 125 | 175.1 | 175 | 60.8 | 0 | 0 | 0 | 109.9 | L2451 I2486 I2494 I2496 H2534 I2535 W2553 | L2451-L2532 HydrophobicContact CD2-CD2 4.3Å; I2486-L2532 HydrophobicContact CD1-CD2 4.01Å; I2486-L2532 HydrophobicContact CG1-CD2 4.18Å; I2486-L2532 HydrophobicContact CG2-CD2 4.25Å; I2486-L2532 HydrophobicContact CG2-CG 4.23Å; I2494-L2532 PolarHBondContact O-N 2.92Å; I2496-L2532 HydrophobicContact CG1-CB 4.13Å; L2532-H2534 VanDerWaalsContact CD1-O 3.31Å; L2532-H2534 WeakPolarHBondContact CD1-O 3.28Å; L2532-I2535 HydrophobicContact CD1-CG1 3.93Å; L2532-I2535 HydrophobicContact CD2-CD1 4.41Å; L2532-I2535 HydrophobicContact CD2-CG1 4.43Å; L2532-W2553 HydrophobicContact CB-CE3 4.31Å; L2532-W2553 HydrophobicContact CB-CZ3 4.42Å; L2532-W2553 HydrophobicContact CD1-CB 4.15Å; L2532-W2553 HydrophobicContact CD1-CD2 4Å; L2532-W2553 HydrophobicContact CD1-CE3 3.61Å; L2532-W2553 HydrophobicContact CD1-CG 4.28Å; L2532-W2553 HydrophobicContact CD1-CZ3 4.29Å; L2532-W2553 HydrophobicContact CD2-CE3 3.95Å; L2532-W2553 HydrophobicContact CD2-CH2 4.29Å; L2532-W2553 HydrophobicContact CD2-CZ3 3.75Å; L2532-W2553 HydrophobicContact CG-CE3 4.16Å; L2532-W2553 HydrophobicContact CG-CZ3 4.37Å |
| 2533 | T | 89.4 | Confident | 83.2 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -51.4 | 173.8 | -50.5 | 0 | 0 | 0 | 0 | 110.8 | I2486 C2531 V2554 G2555 S2556 | I2486-T2533 WeakPolarHBondContact CG2-O 3.47Å; C2531-T2533 PolarHBondContact O-N 2.97Å; T2533-V2554 WeakPolarHBondContact CB-O 3.44Å; T2533-V2554 PolarHBondContact N-O 3.15Å; T2533-G2555 PolarHBondContact OG1-O 2.94Å; T2533-S2556 WeakPolarHBondContact OG1-CA 3.48Å; T2533-S2556 PolarHBondContact OG1-N 3.2Å |
| 2534 | H | 89.3 | Confident | 83.6 | Confident | 72.5 Ų | 72.5 | 60.5 Ų | 60.5 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 167.9 | 171.8 | 69.8 | -13 | 0 | 0 | 0 | 111.2 | L2532 E2536 V2554 | L2532-H2534 VanDerWaalsContact CD1-O 3.31Å; L2532-H2534 WeakPolarHBondContact CD1-O 3.28Å; H2534-E2536 IonicContact CE1-OE1 3.36Å; H2534-E2536 PolarHBondContact CE1-OE1 2.96Å; H2534-V2554 WeakPolarHBondContact CE1-CG2 3.36Å; H2534-V2554 PolarHBondContact O-N 3.04Å |
| 2535 | I | 91.6 | Very high | 84 | Confident | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.7 | 172.1 | -58.7 | 175.8 | 0 | 0 | 0 | 107.4 | L2475 I2482 I2486 L2532 M2551 T2552 W2553 | L2475-I2535 HydrophobicContact CD2-CB 4.2Å; L2475-I2535 HydrophobicContact CD2-CG2 3.92Å; I2482-I2535 HydrophobicContact CD1-CD1 4.42Å; I2486-I2535 HydrophobicContact CD1-CD1 3.5Å; I2486-I2535 VanDerWaalsContact CD1-CD1 3.46Å; I2486-I2535 HydrophobicContact CD1-CG1 3.87Å; L2532-I2535 HydrophobicContact CD1-CG1 3.93Å; L2532-I2535 HydrophobicContact CD2-CD1 4.41Å; L2532-I2535 HydrophobicContact CD2-CG1 4.43Å; I2535-M2551 HydrophobicContact CG2-CB 4.42Å; I2535-T2552 WeakPolarHBondContact CG2-O 3.3Å; I2535-W2553 HydrophobicContact CD1-CD2 4.31Å; I2535-W2553 HydrophobicContact CD1-CZ2 4.03Å; I2535-W2553 HydrophobicContact CG1-CD2 4.24Å; I2535-W2553 HydrophobicContact CG1-CG 4.17Å |
| 2536 | E | 92.4 | Very high | 84.4 | Confident | 71.5 Ų | 71.5 | 62.2 Ų | 62.2 | 33% | 0.334 | 35% | 0.345 | S | S | . | . | trans | -57.6 | 142.8 | 174.5 | -70.5 | -115.4 | 156.2 | 0 | 0 | 111.3 | H2534 T2538 T2552 V2554 | H2534-E2536 IonicContact CE1-OE1 3.36Å; H2534-E2536 PolarHBondContact CE1-OE1 2.96Å; E2536-T2538 VanDerWaalsContact C-N 3.31Å; E2536-T2538 PolarHBondContact O-N 3.4Å; E2536-T2552 HydrophobicContact CG-CG2 4Å; E2536-T2552 PolarHBondContact N-O 3.15Å; E2536-T2552 WeakPolarHBondContact OE2-CB 3.31Å; E2536-T2552 WeakPolarHBondContact OE2-CG2 3.25Å; E2536-T2552 PolarHBondContact OE2-OG1 3.41Å; E2536-V2554 HydrophobicContact CG-CG2 4.49Å | ||
| 2537 | D | 91.5 | Very high | 85.3 | Confident | 50 Ų | 50 | 60.1 Ų | 60.1 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -68.4 | -31.9 | -173.9 | -171.3 | 49.4 | 0 | 0 | 0 | 112.7 | S2474 L2475 R2476 V2539 | S2474-D2537 CarbonylContact C-O 3.58Å; S2474-D2537 WeakPolarHBondContact CA-O 3.35Å; S2474-D2537 VanDerWaalsContact CB-OD2 3.3Å; S2474-D2537 WeakPolarHBondContact CB-OD2 3.43Å; S2474-D2537 PolarHBondContact OG-OD1 3.08Å; S2474-D2537 VanDerWaalsContact OG-OD1 3.05Å; S2474-D2537 PolarHBondContact OG-OD2 3.18Å; L2475-D2537 WeakPolarHBondContact CB-O 3.33Å; L2475-D2537 PolarHBondContact N-O 3.08Å; L2475-D2537 PolarHBondContact N-OD1 3Å; L2475-D2537 VanDerWaalsContact N-OD1 3.09Å; R2476-D2537 VanDerWaalsContact CB-OD1 3.24Å; R2476-D2537 WeakPolarHBondContact CB-OD1 3.31Å; R2476-D2537 WeakPolarHBondContact CG-OD1 3.34Å; R2476-D2537 PolarHBondContact N-OD1 3.38Å; D2537-V2539 PolarHBondContact O-N 3.35Å |
| 2538 | T | 91.8 | Very high | 86.2 | Confident | 89 Ų | 89 | 54 Ų | 54 | 55% | 0.546 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 116.2 | -177.1 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | N2472 E2536 | N2472-T2538 HydrophobicContact CB-CG2 4.27Å; E2536-T2538 VanDerWaalsContact C-N 3.31Å; E2536-T2538 PolarHBondContact O-N 3.4Å |
| 2539 | V | 91.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.8 | 174.5 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | N2472 F2473 L2475 D2537 K2549 K2550 M2551 | N2472-V2539 CarbonylContact C-O 3.55Å; N2472-V2539 WeakPolarHBondContact CA-O 3.32Å; F2473-V2539 HydrophobicContact CD1-CB 4.11Å; F2473-V2539 HydrophobicContact CD1-CG1 4.32Å; F2473-V2539 HydrophobicContact CD2-CB 4.49Å; F2473-V2539 HydrophobicContact CE1-CB 3.65Å; F2473-V2539 HydrophobicContact CE1-CG1 3.48Å; F2473-V2539 VanDerWaalsContact CE1-CG1 3.45Å; F2473-V2539 HydrophobicContact CE2-CB 4.07Å; F2473-V2539 HydrophobicContact CE2-CG1 4.45Å; F2473-V2539 HydrophobicContact CE2-CG2 4.28Å; F2473-V2539 HydrophobicContact CZ-CB 3.64Å; F2473-V2539 HydrophobicContact CZ-CG1 3.56Å; F2473-V2539 HydrophobicContact CZ-CG2 4.15Å; F2473-V2539 PolarHBondContact N-O 3.14Å; F2473-V2539 PolarHBondContact O-N 3.18Å; L2475-V2539 HydrophobicContact CB-CG2 4.36Å; L2475-V2539 HydrophobicContact CD1-CG2 3.85Å; L2475-V2539 VanDerWaalsContact CD1-CG2 3.46Å; D2537-V2539 PolarHBondContact O-N 3.35Å; V2539-K2549 HydrophobicContact CG1-CB 3.84Å; V2539-K2549 HydrophobicContact CG1-CG 4.32Å; V2539-K2550 WeakPolarHBondContact CG1-O 3.36Å; V2539-M2551 HydrophobicContact CG1-CG 3.82Å; V2539-M2551 HydrophobicContact CG2-CG 3.98Å |
| 2540 | E | 91.5 | Very high | 87.3 | Confident | 84 Ų | 84 | 47.8 Ų | 47.8 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 132.9 | 178.7 | -176.2 | -173.7 | 173.6 | 0 | 0 | 110.5 | L2542 K2549 K2550 | E2540-L2542 HydrophobicContact CG-CD2 4.43Å; E2540-K2549 CarbonylContact O-C 3.59Å; E2540-K2549 WeakPolarHBondContact O-CA 3.34Å; E2540-K2550 HydrophobicContact CB-CB 4.24Å; E2540-K2550 PolarHBondContact N-O 3.27Å; E2540-K2550 PolarHBondContact O-N 3.38Å; E2540-K2550 WeakPolarHBondContact OE2-CD 3.33Å; E2540-K2550 WeakPolarHBondContact OE2-CE 3.47Å; E2540-K2550 IonicContact OE2-NZ 2.74Å; E2540-K2550 PolarHBondContact OE2-NZ 3.36Å |
| 2541 | I | 89.1 | Confident | 87.5 | Confident | 9.5 Ų | 9.5 | 47.4 Ų | 47.4 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 113.6 | 174.1 | -56.2 | 171.7 | 0 | 0 | 0 | 107.9 | F2462 L2470 R2471 F2473 R2547 | F2462-I2541 HydrophobicContact CB-CD1 4.15Å; F2462-I2541 HydrophobicContact CD2-CD1 3.74Å; F2462-I2541 HydrophobicContact CE2-CD1 4.35Å; F2462-I2541 HydrophobicContact CG-CD1 4.12Å; L2470-I2541 HydrophobicContact CB-CD1 4.36Å; L2470-I2541 HydrophobicContact CD2-CD1 4.13Å; R2471-I2541 PolarHBondContact O-N 3.32Å; F2473-I2541 HydrophobicContact CD1-CD1 3.81Å; F2473-I2541 HydrophobicContact CD1-CG1 3.84Å; F2473-I2541 HydrophobicContact CE1-CD1 4.23Å; F2473-I2541 HydrophobicContact CE1-CG1 3.94Å; I2541-R2547 HydrophobicContact CG2-CB 4.02Å |
| 2542 | L | 85.1 | Confident | 87.7 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | trans | -73.6 | 143.7 | -179.3 | -59.5 | 178 | 0 | 0 | 0 | 111 | E2540 S2544 R2547 P2548 K2550 V2564 W2618 | E2540-L2542 HydrophobicContact CG-CD2 4.43Å; L2542-S2544 PolarHBondContact O-N 3.32Å; L2542-R2547 WeakPolarHBondContact O-CA 3.39Å; L2542-P2548 HydrophobicContact CB-CG 3.99Å; L2542-P2548 HydrophobicContact CD1-CG 4.04Å; L2542-P2548 HydrophobicContact CG-CG 4.46Å; L2542-P2548 PolarHBondContact N-O 3.21Å; L2542-K2550 HydrophobicContact CD1-CB 4.46Å; L2542-K2550 HydrophobicContact CD2-CB 4.45Å; L2542-K2550 HydrophobicContact CD2-CD 4.37Å; L2542-K2550 HydrophobicContact CG-CB 4.35Å; L2542-V2564 HydrophobicContact CD1-CG1 4.43Å; L2542-V2564 HydrophobicContact CD1-CG2 4.48Å; L2542-W2618 HydrophobicContact CD1-CZ3 4.11Å | ||
| 2543 | G | 75.8 | Confident | 87.9 | Confident | 90.5 Ų | 90.5 | 47.3 Ų | 47.3 | 93% | 0.933 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -76.9 | 33.7 | -174 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 2544 | S | 75.4 | Confident | 88.1 | Confident | 53.5 Ų | 53.5 | 44.7 Ų | 44.7 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -95.7 | 171.3 | 177.7 | 79.3 | 0 | 0 | 0 | 0 | 112.4 | L2542 T2546 R2547 P2548 | L2542-S2544 PolarHBondContact O-N 3.32Å; S2544-T2546 VanDerWaalsContact C-N 3.28Å; S2544-T2546 PolarHBondContact O-N 3.3Å; S2544-T2546 PolarHBondContact OG-N 2.67Å; S2544-T2546 PolarHBondContact OG-OG1 2.96Å; S2544-T2546 VanDerWaalsContact OG-OG1 3.09Å; S2544-R2547 VanDerWaalsContact O-CG 3.28Å; S2544-R2547 WeakPolarHBondContact O-CG 3.42Å; S2544-R2547 PolarHBondContact O-N 2.96Å; S2544-R2547 VanDerWaalsContact O-N 3.16Å; S2544-R2547 PolarHBondContact OG-N 2.74Å; S2544-P2548 WeakPolarHBondContact OG-CD 3.46Å |
| 2545 | Q | 72.5 | Confident | 88.2 | Confident | 195 Ų | 195 | 41.3 Ų | 41.3 | 91% | 0.911 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -35.8 | 177.1 | -173 | 177 | 2.4 | 0 | 0 | 112.8 | R2547 | Q2545-R2547 VanDerWaalsContact C-N 3.31Š|
| 2546 | T | 76.4 | Confident | 88.1 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7.8 | 178.4 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | S2544 P2567 | S2544-T2546 VanDerWaalsContact C-N 3.28Å; S2544-T2546 PolarHBondContact O-N 3.3Å; S2544-T2546 PolarHBondContact OG-N 2.67Å; S2544-T2546 PolarHBondContact OG-OG1 2.96Å; S2544-T2546 VanDerWaalsContact OG-OG1 3.09Å; T2546-P2567 WeakPolarHBondContact O-CD 3.26Å; T2546-P2567 WeakPolarHBondContact O-CG 3.42Å |
| 2547 | R | 84.3 | Confident | 87.9 | Confident | 28.5 Ų | 28.5 | 43.7 Ų | 43.7 | 11% | 0.108 | 26% | 0.259 | C | S | . | . | trans | 41.7 | 59.4 | -178.9 | -62 | -176.6 | 70.4 | 140.6 | 3.9 | 113.5 | F2462 M2463 R2467 R2468 L2470 I2541 L2542 S2544 Q2545 K2549 | F2462-R2547 PolarHBondContact O-NE 2.82Å; F2462-R2547 VanDerWaalsContact O-NE 3.11Å; F2462-R2547 PolarHBondContact O-NH1 3.36Å; M2463-R2547 HydrophobicContact SD-CB 4.31Å; R2467-R2547 PolarHBondContact O-NH1 3.29Å; R2467-R2547 PolarHBondContact O-NH2 3.2Å; R2467-R2547 VanDerWaalsContact O-NH2 3.14Å; R2468-R2547 VanDerWaalsContact CA-NH1 3.31Å; R2468-R2547 PolarHBondContact O-NH1 3.19Å; R2468-R2547 PolarHBondContact O-NH2 3.26Å; L2470-R2547 PolarHBondContact O-NH2 2.76Å; I2541-R2547 HydrophobicContact CG2-CB 4.02Å; L2542-R2547 WeakPolarHBondContact O-CA 3.39Å; S2544-R2547 VanDerWaalsContact O-CG 3.28Å; S2544-R2547 WeakPolarHBondContact O-CG 3.42Å; S2544-R2547 PolarHBondContact O-N 2.96Å; S2544-R2547 VanDerWaalsContact O-N 3.16Å; S2544-R2547 PolarHBondContact OG-N 2.74Å; Q2545-R2547 VanDerWaalsContact C-N 3.31Å; R2547-K2549 WeakPolarHBondContact O-CD 3.41Å; R2547-K2549 VanDerWaalsContact O-CE 3.32Å; R2547-K2549 WeakPolarHBondContact O-CE 3.37Å; R2547-K2549 PolarHBondContact O-NZ 3.1Å | ||
| 2548 | P | 88.1 | Confident | 87.8 | Confident | 11.5 Ų | 11.5 | 44.2 Ų | 44.2 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | trans | -70.1 | 153.4 | -179.5 | 29.3 | -32.3 | 0 | 0 | 0 | 111.4 | L2542 S2544 V2564 A2565 K2566 | L2542-P2548 HydrophobicContact CB-CG 3.99Å; L2542-P2548 HydrophobicContact CD1-CG 4.04Å; L2542-P2548 HydrophobicContact CG-CG 4.46Å; L2542-P2548 PolarHBondContact N-O 3.21Å; S2544-P2548 WeakPolarHBondContact OG-CD 3.46Å; P2548-V2564 HydrophobicContact CB-CG1 3.65Å; P2548-V2564 HydrophobicContact CG-CG1 4.33Å; P2548-A2565 CarbonylContact C-O 3.55Å; P2548-A2565 VanDerWaalsContact CA-O 3.3Å; P2548-A2565 WeakPolarHBondContact CA-O 3.37Å; P2548-A2565 WeakPolarHBondContact CB-O 3.39Å; P2548-K2566 HydrophobicContact CB-CB 4.42Å; P2548-K2566 HydrophobicContact CB-CG 4.4Å | ||
| 2549 | K | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.6 | -171.2 | -72.4 | 76.2 | 179.4 | 172.3 | 0 | 109.1 | V2458 C2459 L2461 M2463 F2473 V2539 E2540 R2547 V2564 A2565 | V2458-K2549 HydrophobicContact CG1-CB 4.35Å; V2458-K2549 HydrophobicContact CG1-CG 4.44Å; C2459-K2549 WeakPolarHBondContact O-CE 3.27Å; C2459-K2549 PolarHBondContact O-NZ 2.66Å; L2461-K2549 WeakPolarHBondContact O-CE 3.31Å; L2461-K2549 PolarHBondContact O-NZ 3.13Å; M2463-K2549 PolarHBondContact SD-NZ 3.49Å; F2473-K2549 HydrophobicContact CE1-CG 3.99Å; F2473-K2549 HydrophobicContact CZ-CG 4.29Å; V2539-K2549 HydrophobicContact CG1-CB 3.84Å; V2539-K2549 HydrophobicContact CG1-CG 4.32Å; E2540-K2549 CarbonylContact O-C 3.59Å; E2540-K2549 WeakPolarHBondContact O-CA 3.34Å; R2547-K2549 WeakPolarHBondContact O-CD 3.41Å; R2547-K2549 VanDerWaalsContact O-CE 3.32Å; R2547-K2549 WeakPolarHBondContact O-CE 3.37Å; R2547-K2549 PolarHBondContact O-NZ 3.1Å; K2549-V2564 CarbonylContact O-C 3.57Å; K2549-V2564 WeakPolarHBondContact O-CA 3.45Å; K2549-A2565 HydrophobicContact CB-CB 4.21Å; K2549-A2565 PolarHBondContact N-O 3.22Å; K2549-A2565 PolarHBondContact O-N 3.09Å |
| 2550 | K | 93.5 | Very high | 87.9 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 116.2 | 178 | 175.1 | -179.1 | 157.8 | -151.5 | 0 | 109.3 | V2539 E2540 L2542 I2562 V2564 | V2539-K2550 WeakPolarHBondContact CG1-O 3.36Å; E2540-K2550 HydrophobicContact CB-CB 4.24Å; E2540-K2550 PolarHBondContact N-O 3.27Å; E2540-K2550 PolarHBondContact O-N 3.38Å; E2540-K2550 WeakPolarHBondContact OE2-CD 3.33Å; E2540-K2550 WeakPolarHBondContact OE2-CE 3.47Å; E2540-K2550 IonicContact OE2-NZ 2.74Å; E2540-K2550 PolarHBondContact OE2-NZ 3.36Å; L2542-K2550 HydrophobicContact CD1-CB 4.46Å; L2542-K2550 HydrophobicContact CD2-CB 4.45Å; L2542-K2550 HydrophobicContact CD2-CD 4.37Å; L2542-K2550 HydrophobicContact CG-CB 4.35Å; K2550-I2562 HydrophobicContact CD-CG2 4.07Å; K2550-I2562 HydrophobicContact CG-CG2 3.57Å; K2550-V2564 HydrophobicContact CB-CG2 4.25Å; K2550-V2564 HydrophobicContact CG-CG2 4.42Å |
| 2551 | M | 94 | Very high | 88 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.4 | -176.9 | -57.9 | 173 | -68.9 | 0 | 0 | 109.7 | L2455 V2458 I2535 V2539 I2562 I2563 A2565 L2615 | L2455-M2551 HydrophobicContact CD2-CE 4.22Å; L2455-M2551 HydrophobicContact CD2-SD 4.28Å; V2458-M2551 HydrophobicContact CG1-SD 3.91Å; I2535-M2551 HydrophobicContact CG2-CB 4.42Å; V2539-M2551 HydrophobicContact CG1-CG 3.82Å; V2539-M2551 HydrophobicContact CG2-CG 3.98Å; M2551-I2562 WeakPolarHBondContact O-CA 3.38Å; M2551-I2563 HydrophobicContact CE-CG2 4.47Å; M2551-I2563 PolarHBondContact N-O 2.86Å; M2551-I2563 PolarHBondContact O-N 3.14Å; M2551-A2565 HydrophobicContact CE-CB 3.62Å; M2551-L2615 HydrophobicContact CE-CD2 4.17Å |
| 2552 | T | 95 | Very high | 88.3 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119.5 | 173.4 | -50.9 | 0 | 0 | 0 | 0 | 109.6 | I2535 E2536 E2560 | I2535-T2552 WeakPolarHBondContact CG2-O 3.3Å; E2536-T2552 HydrophobicContact CG-CG2 4Å; E2536-T2552 PolarHBondContact N-O 3.15Å; E2536-T2552 WeakPolarHBondContact OE2-CB 3.31Å; E2536-T2552 WeakPolarHBondContact OE2-CG2 3.25Å; E2536-T2552 PolarHBondContact OE2-OG1 3.41Å; T2552-E2560 HydrophobicContact CG2-CB 3.73Å; T2552-E2560 HydrophobicContact CG2-CG 3.83Å |
| 2553 | W | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 134 | -179.9 | -70.1 | 37.3 | 0 | 0 | 0 | 108.8 | W2410 L2451 L2455 I2496 L2532 I2535 E2560 Y2561 I2563 | W2410-W2553 HydrophobicContact CH2-CH2 4.22Å; W2410-W2553 HydrophobicContact CH2-CZ3 4.49Å; L2451-W2553 HydrophobicContact CD2-CH2 4.41Å; L2455-W2553 HydrophobicContact CD1-CH2 3.89Å; L2455-W2553 HydrophobicContact CD1-CZ2 3.93Å; L2455-W2553 HydrophobicContact CD2-CZ2 3.83Å; I2496-W2553 HydrophobicContact CD1-CB 4.24Å; I2496-W2553 HydrophobicContact CG1-CE3 4.22Å; I2496-W2553 HydrophobicContact CG2-CE3 4.2Å; L2532-W2553 HydrophobicContact CB-CE3 4.31Å; L2532-W2553 HydrophobicContact CB-CZ3 4.42Å; L2532-W2553 HydrophobicContact CD1-CB 4.15Å; L2532-W2553 HydrophobicContact CD1-CD2 4Å; L2532-W2553 HydrophobicContact CD1-CE3 3.61Å; L2532-W2553 HydrophobicContact CD1-CG 4.28Å; L2532-W2553 HydrophobicContact CD1-CZ3 4.29Å; L2532-W2553 HydrophobicContact CD2-CE3 3.95Å; L2532-W2553 HydrophobicContact CD2-CH2 4.29Å; L2532-W2553 HydrophobicContact CD2-CZ3 3.75Å; L2532-W2553 HydrophobicContact CG-CE3 4.16Å; L2532-W2553 HydrophobicContact CG-CZ3 4.37Å; I2535-W2553 HydrophobicContact CD1-CD2 4.31Å; I2535-W2553 HydrophobicContact CD1-CZ2 4.03Å; I2535-W2553 HydrophobicContact CG1-CD2 4.24Å; I2535-W2553 HydrophobicContact CG1-CG 4.17Å; W2553-E2560 CarbonylContact O-C 3.58Å; W2553-E2560 WeakPolarHBondContact O-CA 3.27Å; W2553-Y2561 WeakPolarHBondContact CB-O 3.32Å; W2553-Y2561 PolarHBondContact N-O 3.19Å; W2553-Y2561 PolarHBondContact O-N 3.18Å; W2553-I2563 HydrophobicContact CD2-CD1 3.66Å; W2553-I2563 HydrophobicContact CD2-CG1 4.31Å; W2553-I2563 HydrophobicContact CE3-CD1 3.78Å; W2553-I2563 HydrophobicContact CG-CD1 4.09Å; W2553-I2563 HydrophobicContact CG-CG1 4.24Å; W2553-I2563 HydrophobicContact CH2-CD1 4.36Å; W2553-I2563 HydrophobicContact CZ2-CD1 4.23Å; W2553-I2563 HydrophobicContact CZ3-CD1 4.15Å |
| 2554 | V | 93.7 | Very high | 89.6 | Confident | 19.5 Ų | 19.5 | 45.5 Ų | 45.5 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | T2533 H2534 E2536 E2560 | T2533-V2554 WeakPolarHBondContact CB-O 3.44Å; T2533-V2554 PolarHBondContact N-O 3.15Å; H2534-V2554 WeakPolarHBondContact CE1-CG2 3.36Å; H2534-V2554 PolarHBondContact O-N 3.04Å; E2536-V2554 HydrophobicContact CG-CG2 4.49Å; V2554-E2560 HydrophobicContact CG2-CG 4.34Å |
| 2555 | G | 91.9 | Very high | 90.4 | Very high | 1.5 Ų | 1.5 | 43 Ų | 43 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 162.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C2531 T2533 D2557 G2558 R2559 | C2531-G2555 CarbonylContact O-C 3.56Å; C2531-G2555 WeakPolarHBondContact O-CA 3.36Å; T2533-G2555 PolarHBondContact OG1-O 2.94Å; G2555-D2557 WeakPolarHBondContact CA-OD1 3.5Å; G2555-D2557 PolarHBondContact O-N 3.08Å; G2555-D2557 VanDerWaalsContact O-N 3.15Å; G2555-G2558 PolarHBondContact O-N 3.16Å; G2555-R2559 PolarHBondContact N-O 2.97Å |
| 2556 | S | 89.6 | Confident | 91.1 | Very high | 70 Ų | 70 | 34.5 Ų | 34.5 | 49% | 0.49 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.1 | 172.7 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | L2529 V2530 C2531 T2533 G2558 | L2529-S2556 PolarHBondContact O-OG 3.18Å; V2530-S2556 WeakPolarHBondContact CA-OG 3.29Å; C2531-S2556 PolarHBondContact N-OG 3.44Å; C2531-S2556 PolarHBondContact O-N 3.16Å; T2533-S2556 WeakPolarHBondContact OG1-CA 3.48Å; T2533-S2556 PolarHBondContact OG1-N 3.2Å; S2556-G2558 VanDerWaalsContact C-N 3.29Å |
| 2557 | D | 89.1 | Confident | 91.6 | Very high | 63 Ų | 63 | 32.3 Ų | 32.3 | 34% | 0.337 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 1.1 | 171.1 | 64.9 | -15.1 | 0 | 0 | 0 | 113.3 | V2530 G2555 R2559 Y2561 | V2530-D2557 WeakPolarHBondContact CG1-OD1 3.2Å; V2530-D2557 HydrophobicContact CG2-CB 4.35Å; G2555-D2557 WeakPolarHBondContact CA-OD1 3.5Å; G2555-D2557 PolarHBondContact O-N 3.08Å; G2555-D2557 VanDerWaalsContact O-N 3.15Å; D2557-R2559 PolarHBondContact O-N 3.34Å; D2557-R2559 PolarHBondContact OD1-N 3.09Å; D2557-R2559 VanDerWaalsContact OD2-CD 3.27Å; D2557-R2559 WeakPolarHBondContact OD2-CD 3.44Å; D2557-R2559 WeakPolarHBondContact OD2-CG 3.29Å; D2557-R2559 IonicContact OD2-NE 2.61Å; D2557-Y2561 PolarHBondContact OD2-OH 2.93Å |
| 2558 | G | 89.2 | Confident | 91.4 | Very high | 60.5 Ų | 60.5 | 36.4 Ų | 36.4 | 62% | 0.624 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 74.2 | 6.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G2555 S2556 | G2555-G2558 PolarHBondContact O-N 3.16Å; S2556-G2558 VanDerWaalsContact C-N 3.29Å |
| 2559 | R | 91.7 | Very high | 91.1 | Very high | 163 Ų | 163 | 37.3 Ų | 37.3 | 62% | 0.615 | 20% | 0.201 | S | C | * | . | trans | -91.2 | 144.5 | 177.6 | -61.4 | -177.1 | -179.4 | 171.2 | -1.5 | 110.5 | G2555 D2557 Y2561 | G2555-R2559 PolarHBondContact N-O 2.97Å; D2557-R2559 PolarHBondContact O-N 3.34Å; D2557-R2559 PolarHBondContact OD1-N 3.09Å; D2557-R2559 VanDerWaalsContact OD2-CD 3.27Å; D2557-R2559 WeakPolarHBondContact OD2-CD 3.44Å; D2557-R2559 WeakPolarHBondContact OD2-CG 3.29Å; D2557-R2559 IonicContact OD2-NE 2.61Å; R2559-Y2561 HydrophobicContact CB-CE2 3.86Å; R2559-Y2561 VanDerWaalsContact O-CD2 3.25Å; R2559-Y2561 WeakPolarHBondContact O-CD2 3.19Å; R2559-Y2561 VanDerWaalsContact O-CE2 3.27Å; R2559-Y2561 WeakPolarHBondContact O-CE2 3.35Å | ||
| 2560 | E | 93.3 | Very high | 90.5 | Very high | 104.5 Ų | 104.5 | 39 Ų | 39 | 49% | 0.488 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 146.3 | 170.4 | -68.7 | 168.6 | -157.1 | 0 | 0 | 110.2 | T2552 W2553 V2554 R2620 | T2552-E2560 HydrophobicContact CG2-CB 3.73Å; T2552-E2560 HydrophobicContact CG2-CG 3.83Å; W2553-E2560 CarbonylContact O-C 3.58Å; W2553-E2560 WeakPolarHBondContact O-CA 3.27Å; V2554-E2560 HydrophobicContact CG2-CG 4.34Å; E2560-R2620 VanDerWaalsContact O-CZ 3.23Å; E2560-R2620 PolarHBondContact O-NH1 3.41Å; E2560-R2620 VanDerWaalsContact O-NH1 3.15Å; E2560-R2620 PolarHBondContact O-NH2 2.91Å |
| 2561 | Y | 94.3 | Very high | 90.2 | Very high | 23.5 Ų | 23.5 | 36.9 Ų | 36.9 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 124.7 | 175.7 | -65.7 | -87.3 | 0 | 0 | 0 | 108.8 | I2496 I2498 V2530 W2553 D2557 R2559 | I2496-Y2561 HydrophobicContact CD1-CD2 3.76Å; I2496-Y2561 HydrophobicContact CD1-CE2 4.38Å; I2496-Y2561 HydrophobicContact CD1-CG 4.35Å; I2496-Y2561 HydrophobicContact CG2-CG 4.29Å; I2498-Y2561 HydrophobicContact CD1-CD1 4.08Å; I2498-Y2561 HydrophobicContact CD1-CE1 3.62Å; I2498-Y2561 HydrophobicContact CG2-CD1 3.84Å; I2498-Y2561 HydrophobicContact CG2-CE1 4.22Å; I2498-Y2561 HydrophobicContact CG2-CG 4.44Å; V2530-Y2561 HydrophobicContact CG1-CD2 4.44Å; V2530-Y2561 HydrophobicContact CG1-CE2 3.62Å; W2553-Y2561 WeakPolarHBondContact CB-O 3.32Å; W2553-Y2561 PolarHBondContact N-O 3.19Å; W2553-Y2561 PolarHBondContact O-N 3.18Å; D2557-Y2561 PolarHBondContact OD2-OH 2.93Å; R2559-Y2561 HydrophobicContact CB-CE2 3.86Å; R2559-Y2561 VanDerWaalsContact O-CD2 3.25Å; R2559-Y2561 WeakPolarHBondContact O-CD2 3.19Å; R2559-Y2561 VanDerWaalsContact O-CE2 3.27Å; R2559-Y2561 WeakPolarHBondContact O-CE2 3.35Å |
| 2562 | I | 94.5 | Very high | 89.6 | Confident | 33 Ų | 33 | 38.8 Ų | 38.8 | 17% | 0.169 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.1 | -175.1 | -57.8 | 169.7 | 0 | 0 | 0 | 108.6 | K2550 M2551 W2618 | K2550-I2562 HydrophobicContact CD-CG2 4.07Å; K2550-I2562 HydrophobicContact CG-CG2 3.57Å; M2551-I2562 WeakPolarHBondContact O-CA 3.38Å; I2562-W2618 HydrophobicContact CB-CB 3.67Å; I2562-W2618 HydrophobicContact CB-CG 4.11Å; I2562-W2618 HydrophobicContact CG2-CB 3.48Å; I2562-W2618 VanDerWaalsContact CG2-CB 3.48Å; I2562-W2618 HydrophobicContact CG2-CD2 4.41Å; I2562-W2618 HydrophobicContact CG2-CG 3.75Å; I2562-W2618 VanDerWaalsContact O-CB 3.28Å; I2562-W2618 WeakPolarHBondContact O-CB 3.38Å; I2562-W2618 PolarHBondContact O-N 3.26Å |
| 2563 | I | 94.5 | Very high | 88.9 | Confident | 2.5 Ų | 2.5 | 41.4 Ų | 41.4 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.6 | 179.5 | -57.4 | -118.5 | 0 | 0 | 0 | 109.1 | I2496 P2497 M2551 W2553 L2615 | I2496-I2563 HydrophobicContact CG2-CD1 3.95Å; P2497-I2563 HydrophobicContact CG-CD1 4.3Å; M2551-I2563 HydrophobicContact CE-CG2 4.47Å; M2551-I2563 PolarHBondContact N-O 2.86Å; M2551-I2563 PolarHBondContact O-N 3.14Å; W2553-I2563 HydrophobicContact CD2-CD1 3.66Å; W2553-I2563 HydrophobicContact CD2-CG1 4.31Å; W2553-I2563 HydrophobicContact CE3-CD1 3.78Å; W2553-I2563 HydrophobicContact CG-CD1 4.09Å; W2553-I2563 HydrophobicContact CG-CG1 4.24Å; W2553-I2563 HydrophobicContact CH2-CD1 4.36Å; W2553-I2563 HydrophobicContact CZ2-CD1 4.23Å; W2553-I2563 HydrophobicContact CZ3-CD1 4.15Å; I2563-L2615 HydrophobicContact CG2-CB 3.82Å; I2563-L2615 HydrophobicContact CG2-CD1 4.43Å; I2563-L2615 HydrophobicContact CG2-CD2 4.13Å; I2563-L2615 HydrophobicContact CG2-CG 4.34Å |
| 2564 | V | 93.1 | Very high | 88.5 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.1 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | L2542 P2548 K2549 K2550 L2615 I2616 W2618 | L2542-V2564 HydrophobicContact CD1-CG1 4.43Å; L2542-V2564 HydrophobicContact CD1-CG2 4.48Å; P2548-V2564 HydrophobicContact CB-CG1 3.65Å; P2548-V2564 HydrophobicContact CG-CG1 4.33Å; K2549-V2564 CarbonylContact O-C 3.57Å; K2549-V2564 WeakPolarHBondContact O-CA 3.45Å; K2550-V2564 HydrophobicContact CB-CG2 4.25Å; K2550-V2564 HydrophobicContact CG-CG2 4.42Å; V2564-L2615 CarbonylContact O-C 3.51Å; V2564-L2615 WeakPolarHBondContact O-CA 3.48Å; V2564-I2616 HydrophobicContact CB-CB 4.5Å; V2564-I2616 PolarHBondContact N-O 3.11Å; V2564-I2616 PolarHBondContact O-N 3.29Å; V2564-W2618 HydrophobicContact CG2-CB 4.46Å; V2564-W2618 HydrophobicContact CG2-CE3 3.58Å; V2564-W2618 HydrophobicContact CG2-CZ3 4.23Å |
| 2565 | A | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 110.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | C2459 P2548 K2549 M2551 G2614 L2615 | C2459-A2565 VanDerWaalsContact SG-CB 3.55Å; P2548-A2565 CarbonylContact C-O 3.55Å; P2548-A2565 VanDerWaalsContact CA-O 3.3Å; P2548-A2565 WeakPolarHBondContact CA-O 3.37Å; P2548-A2565 WeakPolarHBondContact CB-O 3.39Å; K2549-A2565 HydrophobicContact CB-CB 4.21Å; K2549-A2565 PolarHBondContact N-O 3.22Å; K2549-A2565 PolarHBondContact O-N 3.09Å; M2551-A2565 HydrophobicContact CE-CB 3.62Å; A2565-G2614 WeakPolarHBondContact CA-O 3.47Å; A2565-L2615 HydrophobicContact CB-CD2 4.15Å |
| 2566 | K | 89.2 | Confident | 87.8 | Confident | 15.5 Ų | 15.5 | 42.1 Ų | 42.1 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118 | 179.4 | -159.1 | -178.1 | -170.9 | -169.9 | 0 | 109.9 | P2548 D2569 L2571 G2613 G2614 I2616 D2733 | P2548-K2566 HydrophobicContact CB-CB 4.42Å; P2548-K2566 HydrophobicContact CB-CG 4.4Å; K2566-D2569 HydrophobicContact CD-CB 4.09Å; K2566-D2569 VanDerWaalsContact CD-OD2 3.31Å; K2566-D2569 WeakPolarHBondContact CD-OD2 3.39Å; K2566-D2569 WeakPolarHBondContact CE-OD2 3.34Å; K2566-D2569 HydrophobicContact CG-CB 4.32Å; K2566-D2569 IonicContact NZ-OD2 3.62Å; K2566-D2569 PolarHBondContact NZ-OD2 2.9Å; K2566-L2571 HydrophobicContact CB-CD1 4.38Å; K2566-L2571 HydrophobicContact CD-CD2 4.1Å; K2566-G2613 WeakPolarHBondContact O-CA 3.39Å; K2566-G2614 PolarHBondContact N-O 3.29Å; K2566-G2614 PolarHBondContact O-N 2.94Å; K2566-I2616 HydrophobicContact CB-CD1 4.32Å; K2566-I2616 HydrophobicContact CD-CD1 3.92Å; K2566-D2733 IonicContact NZ-OD1 3.91Å; K2566-D2733 IonicContact NZ-OD2 3.4Å; K2566-D2733 PolarHBondContact NZ-OD2 2.95Å |
| 2567 | P | 85.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 157.5 | 179.1 | 33.2 | -33.1 | 0 | 0 | 0 | 113.2 | C2459 M2463 T2546 D2569 | C2459-P2567 HydrophobicContact CB-CB 4.15Å; C2459-P2567 VanDerWaalsContact O-CB 3.27Å; C2459-P2567 WeakPolarHBondContact O-CB 3.34Å; M2463-P2567 HydrophobicContact CE-CB 4.46Å; M2463-P2567 HydrophobicContact CE-CG 3.93Å; M2463-P2567 HydrophobicContact SD-CB 4.37Å; M2463-P2567 HydrophobicContact SD-CG 3.76Å; T2546-P2567 WeakPolarHBondContact O-CD 3.26Å; T2546-P2567 WeakPolarHBondContact O-CG 3.42Å; P2567-D2569 PolarHBondContact O-N 3.21Å; P2567-D2569 VanDerWaalsContact O-N 3.12Å |
| 2568 | N | 80.9 | Confident | 87.7 | Confident | 114 Ų | 114 | 36.3 Ų | 36.3 | 61% | 0.61 | 18% | 0.183 | S | C | * | . | S | Bend | trans | 55.1 | 27.1 | 171.1 | -63 | -29.5 | 0 | 0 | 0 | 114.8 | K2612 | N2568-K2612 WeakPolarHBondContact CA-O 3.43Å; N2568-K2612 PolarHBondContact N-O 3.05Å |
| 2569 | D | 80.1 | Confident | 87.5 | Confident | 31 Ų | 31 | 35.9 Ų | 35.9 | 17% | 0.166 | 17% | 0.165 | C | C | . | . | trans | -127.8 | 143 | -180 | -163.8 | 11.8 | 0 | 0 | 0 | 111 | K2566 P2567 L2571 G2613 | K2566-D2569 HydrophobicContact CD-CB 4.09Å; K2566-D2569 VanDerWaalsContact CD-OD2 3.31Å; K2566-D2569 WeakPolarHBondContact CD-OD2 3.39Å; K2566-D2569 WeakPolarHBondContact CE-OD2 3.34Å; K2566-D2569 HydrophobicContact CG-CB 4.32Å; K2566-D2569 IonicContact NZ-OD2 3.62Å; K2566-D2569 PolarHBondContact NZ-OD2 2.9Å; P2567-D2569 PolarHBondContact O-N 3.21Å; P2567-D2569 VanDerWaalsContact O-N 3.12Å; D2569-L2571 HydrophobicContact CB-CD2 4.36Å; D2569-L2571 PolarHBondContact O-N 3.4Å; D2569-G2613 VanDerWaalsContact O-CA 3.27Å; D2569-G2613 WeakPolarHBondContact O-CA 3.18Å; D2569-G2613 PolarHBondContact O-N 3.04Å | ||
| 2570 | D | 80.9 | Confident | 87.2 | Confident | 36.5 Ų | 36.5 | 28.3 Ų | 28.3 | 20% | 0.195 | 14% | 0.136 | C | C | . | . | trans | -92.9 | 90.3 | 179.4 | -177.7 | 7.3 | 0 | 0 | 0 | 110.4 | R2572 | D2570-R2572 VanDerWaalsContact CG-NH2 3.29Å; D2570-R2572 PolarHBondContact O-N 3.03Å; D2570-R2572 VanDerWaalsContact OD1-CB 3.29Å; D2570-R2572 WeakPolarHBondContact OD1-CB 3.39Å; D2570-R2572 VanDerWaalsContact OD1-CG 3.28Å; D2570-R2572 WeakPolarHBondContact OD1-CG 3.36Å; D2570-R2572 IonicContact OD1-CZ 3.22Å; D2570-R2572 PolarHBondContact OD1-N 2.97Å; D2570-R2572 VanDerWaalsContact OD1-N 3.11Å; D2570-R2572 IonicContact OD1-NE 3.41Å; D2570-R2572 PolarHBondContact OD1-NE 3.03Å; D2570-R2572 IonicContact OD1-NH2 3.13Å; D2570-R2572 PolarHBondContact OD1-NH2 3.38Å; D2570-R2572 IonicContact OD2-CZ 2.77Å; D2570-R2572 IonicContact OD2-NE 3.49Å; D2570-R2572 PolarHBondContact OD2-NE 2.99Å; D2570-R2572 IonicContact OD2-NH2 3.03Å; D2570-R2572 PolarHBondContact OD2-NH2 3.38Å | ||
| 2571 | L | 86 | Confident | 87.1 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 3.5 | -177.6 | -63.7 | -176.6 | 0 | 0 | 0 | 114.4 | K2566 D2569 K2573 D2574 S2575 V2606 P2608 I2616 | K2566-L2571 HydrophobicContact CB-CD1 4.38Å; K2566-L2571 HydrophobicContact CD-CD2 4.1Å; D2569-L2571 HydrophobicContact CB-CD2 4.36Å; D2569-L2571 PolarHBondContact O-N 3.4Å; L2571-K2573 VanDerWaalsContact C-N 3.32Å; L2571-K2573 PolarHBondContact O-N 3.02Å; L2571-D2574 HydrophobicContact CD2-CB 4.33Å; L2571-D2574 PolarHBondContact O-N 3.1Å; L2571-S2575 VanDerWaalsContact O-CB 3.31Å; L2571-S2575 WeakPolarHBondContact O-CB 3.38Å; L2571-S2575 PolarHBondContact O-N 2.79Å; L2571-V2606 HydrophobicContact CB-CG1 3.68Å; L2571-V2606 HydrophobicContact CD1-CG1 4.08Å; L2571-V2606 HydrophobicContact CD2-CG1 4.47Å; L2571-V2606 HydrophobicContact CG-CG1 4.31Å; L2571-P2608 HydrophobicContact CB-CB 4.26Å; L2571-I2616 HydrophobicContact CD1-CD1 4.23Å; L2571-I2616 HydrophobicContact CD1-CG1 3.88Å; L2571-I2616 HydrophobicContact CD2-CD1 4.04Å; L2571-I2616 HydrophobicContact CD2-CG1 4.49Å |
| 2572 | R | 81.4 | Confident | 86.8 | Confident | 40 Ų | 40 | 22.9 Ų | 22.9 | 15% | 0.151 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 176.6 | -69 | 174.9 | -69.2 | 175.9 | 0.8 | 111.1 | D2570 S2575 R2576 P2608 E2611 E2803 | D2570-R2572 VanDerWaalsContact CG-NH2 3.29Å; D2570-R2572 PolarHBondContact O-N 3.03Å; D2570-R2572 VanDerWaalsContact OD1-CB 3.29Å; D2570-R2572 WeakPolarHBondContact OD1-CB 3.39Å; D2570-R2572 VanDerWaalsContact OD1-CG 3.28Å; D2570-R2572 WeakPolarHBondContact OD1-CG 3.36Å; D2570-R2572 IonicContact OD1-CZ 3.22Å; D2570-R2572 PolarHBondContact OD1-N 2.97Å; D2570-R2572 VanDerWaalsContact OD1-N 3.11Å; D2570-R2572 IonicContact OD1-NE 3.41Å; D2570-R2572 PolarHBondContact OD1-NE 3.03Å; D2570-R2572 IonicContact OD1-NH2 3.13Å; D2570-R2572 PolarHBondContact OD1-NH2 3.38Å; D2570-R2572 IonicContact OD2-CZ 2.77Å; D2570-R2572 IonicContact OD2-NE 3.49Å; D2570-R2572 PolarHBondContact OD2-NE 2.99Å; D2570-R2572 IonicContact OD2-NH2 3.03Å; D2570-R2572 PolarHBondContact OD2-NH2 3.38Å; R2572-S2575 PolarHBondContact O-N 3.08Å; R2572-R2576 VanDerWaalsContact O-CG 3.28Å; R2572-R2576 WeakPolarHBondContact O-CG 3.39Å; R2572-R2576 PolarHBondContact O-N 2.92Å; R2572-P2608 HydrophobicContact CG-CB 3.99Å; R2572-P2608 HydrophobicContact CG-CG 3.92Å; R2572-E2611 IonicContact CZ-OE1 3.07Å; R2572-E2611 IonicContact NH1-OE1 3.59Å; R2572-E2611 PolarHBondContact NH1-OE1 3.37Å; R2572-E2611 IonicContact NH2-OE1 3.62Å; R2572-E2803 IonicContact CZ-OE1 2.68Å; R2572-E2803 IonicContact CZ-OE2 3.8Å; R2572-E2803 IonicContact NE-OE1 2.69Å; R2572-E2803 VanDerWaalsContact NH1-CD 3.31Å; R2572-E2803 IonicContact NH1-OE1 3.47Å; R2572-E2803 PolarHBondContact NH1-OE1 2.83Å; R2572-E2803 IonicContact NH1-OE2 3.86Å; R2572-E2803 IonicContact NH2-OE1 2.88Å; R2572-E2803 PolarHBondContact NH2-OE1 3.03Å; R2572-E2803 IonicContact NH2-OE2 3.33Å; R2572-E2803 PolarHBondContact NH2-OE2 3.41Å |
| 2573 | K | 81 | Confident | 86.4 | Confident | 79 Ų | 79 | 21.6 Ų | 21.6 | 34% | 0.343 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -61.1 | -50.3 | 177.4 | -66.3 | 176.7 | -174.2 | 168.5 | 0 | 111.1 | L2571 S2575 R2576 L2577 | L2571-K2573 VanDerWaalsContact C-N 3.32Å; L2571-K2573 PolarHBondContact O-N 3.02Å; K2573-S2575 VanDerWaalsContact C-N 3.33Å; K2573-S2575 PolarHBondContact O-N 3.04Å; K2573-R2576 PolarHBondContact O-N 3.33Å; K2573-L2577 WeakPolarHBondContact O-CG 3.24Å; K2573-L2577 PolarHBondContact O-N 3.31Å |
| 2574 | D | 86.8 | Confident | 86.2 | Confident | 0.5 Ų | 0.5 | 21.7 Ų | 21.7 | 0% | 0.003 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 177.1 | -68.9 | -33.2 | 0 | 0 | 0 | 111.9 | L2571 R2576 L2577 M2578 V2606 F2734 | L2571-D2574 HydrophobicContact CD2-CB 4.33Å; L2571-D2574 PolarHBondContact O-N 3.1Å; D2574-R2576 PolarHBondContact O-N 3.02Å; D2574-L2577 PolarHBondContact O-N 3.38Å; D2574-M2578 WeakPolarHBondContact O-CG 3.35Å; D2574-M2578 PolarHBondContact O-N 3.35Å; D2574-V2606 HydrophobicContact CB-CB 4.41Å; D2574-V2606 HydrophobicContact CB-CG1 3.81Å; D2574-V2606 HydrophobicContact CB-CG2 4.28Å; D2574-F2734 PolarHBondContact OD1-N 3.46Å |
| 2575 | S | 86.9 | Confident | 86 | Confident | 11.5 Ų | 11.5 | 22.6 Ų | 22.6 | 8% | 0.08 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 176.6 | -167.2 | 0 | 0 | 0 | 0 | 112 | L2571 R2572 K2573 L2577 M2578 E2579 V2606 | L2571-S2575 VanDerWaalsContact O-CB 3.31Å; L2571-S2575 WeakPolarHBondContact O-CB 3.38Å; L2571-S2575 PolarHBondContact O-N 2.79Å; R2572-S2575 PolarHBondContact O-N 3.08Å; K2573-S2575 VanDerWaalsContact C-N 3.33Å; K2573-S2575 PolarHBondContact O-N 3.04Å; S2575-L2577 VanDerWaalsContact C-N 3.34Å; S2575-L2577 PolarHBondContact O-N 3.09Å; S2575-M2578 PolarHBondContact O-N 3.34Å; S2575-E2579 PolarHBondContact O-N 3.26Å; S2575-E2579 VanDerWaalsContact O-N 3.11Å; S2575-V2606 WeakPolarHBondContact CB-O 3.45Å; S2575-V2606 PolarHBondContact OG-O 3.1Å |
| 2576 | R | 84 | Confident | 85.7 | Confident | 23 Ų | 23 | 24.5 Ų | 24.5 | 9% | 0.087 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.2 | -36.2 | 176.6 | -63.2 | -53.7 | -176.7 | -166.4 | -3.8 | 113 | S2376 R2572 K2573 D2574 M2578 E2579 L2580 I2796 | S2376-R2576 VanDerWaalsContact O-CZ 3.32Å; S2376-R2576 PolarHBondContact O-NH1 2.8Å; S2376-R2576 PolarHBondContact O-NH2 3.46Å; S2376-R2576 PolarHBondContact OG-NH1 2.85Å; R2572-R2576 VanDerWaalsContact O-CG 3.28Å; R2572-R2576 WeakPolarHBondContact O-CG 3.39Å; R2572-R2576 PolarHBondContact O-N 2.92Å; K2573-R2576 PolarHBondContact O-N 3.33Å; D2574-R2576 PolarHBondContact O-N 3.02Å; R2576-M2578 VanDerWaalsContact C-N 3.32Å; R2576-M2578 PolarHBondContact O-N 3.13Å; R2576-E2579 IonicContact CZ-OE1 3.27Å; R2576-E2579 IonicContact NH1-OE1 3.19Å; R2576-E2579 PolarHBondContact NH1-OE1 2.85Å; R2576-E2579 IonicContact NH1-OE2 3.88Å; R2576-E2579 WeakPolarHBondContact O-CB 3.37Å; R2576-E2579 PolarHBondContact O-N 3.13Å; R2576-L2580 PolarHBondContact O-N 2.92Å; R2576-I2796 HydrophobicContact CB-CD1 3.8Å; R2576-I2796 HydrophobicContact CB-CG1 4.1Å; R2576-I2796 HydrophobicContact CG-CD1 4.34Å; R2576-I2796 HydrophobicContact CG-CG1 4.1Å |
| 2577 | L | 86.4 | Confident | 85.7 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.5 | -32.9 | 175.8 | -73.4 | 170.4 | 0 | 0 | 0 | 112.2 | K2573 D2574 S2575 L2580 N2581 L2710 F2734 V2737 F2793 | K2573-L2577 WeakPolarHBondContact O-CG 3.24Å; K2573-L2577 PolarHBondContact O-N 3.31Å; D2574-L2577 PolarHBondContact O-N 3.38Å; S2575-L2577 VanDerWaalsContact C-N 3.34Å; S2575-L2577 PolarHBondContact O-N 3.09Å; L2577-L2580 HydrophobicContact CD2-CD2 4.12Å; L2577-L2580 PolarHBondContact O-N 3.16Å; L2577-N2581 WeakPolarHBondContact O-CB 3.22Å; L2577-N2581 PolarHBondContact O-N 3.42Å; L2577-N2581 PolarHBondContact O-ND2 3.27Å; L2577-L2710 HydrophobicContact CD2-CD1 3.79Å; L2577-L2710 HydrophobicContact CD2-CD2 4.33Å; L2577-F2734 HydrophobicContact CD1-CB 3.38Å; L2577-F2734 HydrophobicContact CD1-CD1 4.42Å; L2577-F2734 HydrophobicContact CD1-CG 4.06Å; L2577-V2737 HydrophobicContact CD1-CG1 3.47Å; L2577-V2737 VanDerWaalsContact CD1-CG1 3.47Å; L2577-F2793 HydrophobicContact CD2-CE1 3.97Å; L2577-F2793 HydrophobicContact CD2-CZ 4.19Å |
| 2578 | M | 88.9 | Confident | 85.9 | Confident | 7.5 Ų | 7.5 | 24.3 Ų | 24.3 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.2 | -37.4 | 171.7 | -69.3 | -56.7 | 101.5 | 0 | 0 | 112.4 | D2574 S2575 R2576 N2581 G2582 Y2604 V2606 F2734 | D2574-M2578 WeakPolarHBondContact O-CG 3.35Å; D2574-M2578 PolarHBondContact O-N 3.35Å; S2575-M2578 PolarHBondContact O-N 3.34Å; R2576-M2578 VanDerWaalsContact C-N 3.32Å; R2576-M2578 PolarHBondContact O-N 3.13Å; M2578-N2581 VanDerWaalsContact CE-ND2 3.28Å; M2578-N2581 WeakPolarHBondContact CE-ND2 3.31Å; M2578-N2581 PolarHBondContact O-N 3.14Å; M2578-G2582 PolarHBondContact O-N 3.25Å; M2578-Y2604 HydrophobicContact CE-CE1 4.34Å; M2578-Y2604 VanDerWaalsContact CG-O 3.26Å; M2578-Y2604 WeakPolarHBondContact CG-O 3.05Å; M2578-Y2604 HydrophobicContact SD-CD1 3.98Å; M2578-Y2604 HydrophobicContact SD-CD2 4.35Å; M2578-Y2604 HydrophobicContact SD-CE1 3.92Å; M2578-Y2604 HydrophobicContact SD-CE2 4.28Å; M2578-Y2604 HydrophobicContact SD-CG 4.21Å; M2578-V2606 HydrophobicContact CG-CG2 4Å; M2578-F2734 HydrophobicContact CE-CD2 3.76Å; M2578-F2734 HydrophobicContact CE-CE2 3.21Å; M2578-F2734 HydrophobicContact CE-CZ 3.83Å |
| 2579 | E | 85.4 | Confident | 86.1 | Confident | 52 Ų | 52 | 23.2 Ų | 23.2 | 24% | 0.243 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 171.6 | -69.6 | 174.2 | -159.6 | 0 | 0 | 111.6 | S2376 S2575 R2576 G2582 M2583 | S2376-E2579 VanDerWaalsContact CB-CD 3.49Å; S2376-E2579 WeakPolarHBondContact CB-OE1 3.31Å; S2376-E2579 WeakPolarHBondContact CB-OE2 3.28Å; S2376-E2579 VanDerWaalsContact OG-CD 3.24Å; S2376-E2579 PolarHBondContact OG-OE1 3.01Å; S2376-E2579 PolarHBondContact OG-OE2 3.12Å; S2575-E2579 PolarHBondContact O-N 3.26Å; S2575-E2579 VanDerWaalsContact O-N 3.11Å; R2576-E2579 IonicContact CZ-OE1 3.27Å; R2576-E2579 IonicContact NH1-OE1 3.19Å; R2576-E2579 PolarHBondContact NH1-OE1 2.85Å; R2576-E2579 IonicContact NH1-OE2 3.88Å; R2576-E2579 WeakPolarHBondContact O-CB 3.37Å; R2576-E2579 PolarHBondContact O-N 3.13Å; E2579-G2582 PolarHBondContact O-N 2.94Å; E2579-M2583 PolarHBondContact O-N 3.09Å |
| 2580 | L | 86.5 | Confident | 86.2 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 175.1 | -177 | 89.1 | 0 | 0 | 0 | 111.6 | R2576 L2577 G2582 M2583 I2584 L2710 L2789 V2792 F2793 | R2576-L2580 PolarHBondContact O-N 2.92Å; L2577-L2580 HydrophobicContact CD2-CD2 4.12Å; L2577-L2580 PolarHBondContact O-N 3.16Å; L2580-G2582 PolarHBondContact O-N 3.21Å; L2580-M2583 HydrophobicContact CD1-CE 3.64Å; L2580-M2583 CarbonylContact O-C 3.51Å; L2580-M2583 WeakPolarHBondContact O-CA 3.26Å; L2580-M2583 VanDerWaalsContact O-CB 3.31Å; L2580-M2583 WeakPolarHBondContact O-CB 3.38Å; L2580-M2583 PolarHBondContact O-N 3.12Å; L2580-I2584 HydrophobicContact CD2-CD1 3.86Å; L2580-I2584 HydrophobicContact CG-CD1 3.95Å; L2580-I2584 HydrophobicContact CG-CG1 4.41Å; L2580-I2584 WeakPolarHBondContact O-CG1 3.4Å; L2580-I2584 PolarHBondContact O-N 3.42Å; L2580-L2710 HydrophobicContact CD2-CD1 4.08Å; L2580-L2710 HydrophobicContact CD2-CD2 3.87Å; L2580-L2710 HydrophobicContact CD2-CG 4.49Å; L2580-L2789 HydrophobicContact CD1-CD2 3.73Å; L2580-L2789 HydrophobicContact CG-CD2 4.4Å; L2580-V2792 HydrophobicContact CB-CG1 4.2Å; L2580-V2792 HydrophobicContact CD1-CB 3.96Å; L2580-V2792 HydrophobicContact CD1-CG1 4.03Å; L2580-V2792 HydrophobicContact CD1-CG2 4.28Å; L2580-F2793 HydrophobicContact CB-CZ 4.45Å; L2580-F2793 HydrophobicContact CD1-CD2 4.2Å; L2580-F2793 HydrophobicContact CD1-CE2 3.35Å; L2580-F2793 HydrophobicContact CD1-CZ 3.66Å; L2580-F2793 HydrophobicContact CD2-CE2 3.77Å; L2580-F2793 HydrophobicContact CD2-CZ 3.38Å; L2580-F2793 HydrophobicContact CG-CE2 4.1Å; L2580-F2793 HydrophobicContact CG-CZ 3.96Å |
| 2581 | N | 89.8 | Confident | 86.4 | Confident | 1.5 Ų | 1.5 | 27.2 Ų | 27.2 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -36.6 | 178.4 | -72.6 | -15 | 0 | 0 | 0 | 111 | L2577 M2578 M2583 I2584 N2585 I2601 T2603 | L2577-N2581 WeakPolarHBondContact O-CB 3.22Å; L2577-N2581 PolarHBondContact O-N 3.42Å; L2577-N2581 PolarHBondContact O-ND2 3.27Å; M2578-N2581 VanDerWaalsContact CE-ND2 3.28Å; M2578-N2581 WeakPolarHBondContact CE-ND2 3.31Å; M2578-N2581 PolarHBondContact O-N 3.14Å; N2581-M2583 VanDerWaalsContact C-N 3.34Å; N2581-M2583 PolarHBondContact O-N 2.84Å; N2581-I2584 PolarHBondContact O-N 2.91Å; N2581-N2585 WeakPolarHBondContact O-CB 3.29Å; N2581-N2585 PolarHBondContact O-N 3.02Å; N2581-I2601 HydrophobicContact CB-CB 4.48Å; N2581-I2601 HydrophobicContact CB-CD1 4.33Å; N2581-I2601 HydrophobicContact CB-CG2 3.96Å; N2581-T2603 HydrophobicContact CB-CG2 3.67Å |
| 2582 | G | 88 | Confident | 86 | Confident | 13.5 Ų | 13.5 | 30.2 Ų | 30.2 | 14% | 0.139 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M2578 E2579 L2580 N2585 K2586 | M2578-G2582 PolarHBondContact O-N 3.25Å; E2579-G2582 PolarHBondContact O-N 2.94Å; L2580-G2582 PolarHBondContact O-N 3.21Å; G2582-N2585 PolarHBondContact O-N 3.02Å; G2582-K2586 WeakPolarHBondContact O-CG 3.48Å; G2582-K2586 PolarHBondContact O-N 2.82Å |
| 2583 | M | 85.9 | Confident | 86 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.4 | -43.8 | 174.2 | -178.6 | 178.9 | -2.8 | 0 | 0 | 112.3 | Y2309 E2579 L2580 N2581 N2585 K2586 F2587 P2788 V2792 | Y2309-M2583 HydrophobicContact CD1-CB 3.92Å; Y2309-M2583 HydrophobicContact CD1-CE 3.33Å; Y2309-M2583 HydrophobicContact CD1-CG 3.89Å; Y2309-M2583 HydrophobicContact CD1-SD 4.13Å; Y2309-M2583 HydrophobicContact CD2-CG 4.41Å; Y2309-M2583 HydrophobicContact CE1-CB 4.19Å; Y2309-M2583 HydrophobicContact CE1-CE 3.87Å; Y2309-M2583 HydrophobicContact CE1-CG 4.38Å; Y2309-M2583 HydrophobicContact CG-CE 4.06Å; Y2309-M2583 HydrophobicContact CG-CG 3.99Å; Y2309-M2583 HydrophobicContact CG-SD 4.36Å; E2579-M2583 PolarHBondContact O-N 3.09Å; L2580-M2583 HydrophobicContact CD1-CE 3.64Å; L2580-M2583 CarbonylContact O-C 3.51Å; L2580-M2583 WeakPolarHBondContact O-CA 3.26Å; L2580-M2583 VanDerWaalsContact O-CB 3.31Å; L2580-M2583 WeakPolarHBondContact O-CB 3.38Å; L2580-M2583 PolarHBondContact O-N 3.12Å; N2581-M2583 VanDerWaalsContact C-N 3.34Å; N2581-M2583 PolarHBondContact O-N 2.84Å; M2583-N2585 VanDerWaalsContact C-N 3.32Å; M2583-N2585 PolarHBondContact O-N 3.41Å; M2583-K2586 WeakPolarHBondContact O-CB 3.37Å; M2583-K2586 PolarHBondContact O-N 3.17Å; M2583-K2586 VanDerWaalsContact O-N 3.11Å; M2583-F2587 HydrophobicContact CG-CD2 4.09Å; M2583-F2587 HydrophobicContact CG-CE2 3.47Å; M2583-F2587 VanDerWaalsContact CG-CE2 3.43Å; M2583-F2587 HydrophobicContact CG-CZ 3.86Å; M2583-F2587 PolarHBondContact O-N 3.32Å; M2583-F2587 VanDerWaalsContact O-N 3.14Å; M2583-F2587 HydrophobicContact SD-CE2 3.84Å; M2583-F2587 HydrophobicContact SD-CZ 4.1Å; M2583-P2788 HydrophobicContact SD-CB 4.22Å; M2583-V2792 HydrophobicContact CE-CG2 3.03Å; M2583-V2792 HydrophobicContact SD-CG2 3.65Å |
| 2584 | I | 90.4 | Very high | 86.2 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.4 | -67.4 | 168.1 | 0 | 0 | 0 | 110.1 | L2580 N2581 K2586 F2587 L2588 I2601 V2706 L2782 L2789 | L2580-I2584 HydrophobicContact CD2-CD1 3.86Å; L2580-I2584 HydrophobicContact CG-CD1 3.95Å; L2580-I2584 HydrophobicContact CG-CG1 4.41Å; L2580-I2584 WeakPolarHBondContact O-CG1 3.4Å; L2580-I2584 PolarHBondContact O-N 3.42Å; N2581-I2584 PolarHBondContact O-N 2.91Å; I2584-K2586 PolarHBondContact O-N 3.29Å; I2584-F2587 CarbonylContact O-C 3.38Å; I2584-F2587 PolarHBondContact O-N 3.34Å; I2584-L2588 HydrophobicContact CG2-CD1 3.89Å; I2584-L2588 HydrophobicContact CG2-CG 4.11Å; I2584-L2588 VanDerWaalsContact O-CG 3.31Å; I2584-L2588 WeakPolarHBondContact O-CG 3.41Å; I2584-L2588 PolarHBondContact O-N 3.26Å; I2584-I2601 HydrophobicContact CB-CD1 4.2Å; I2584-I2601 HydrophobicContact CD1-CD1 4.44Å; I2584-I2601 HydrophobicContact CG2-CD1 3.81Å; I2584-V2706 HydrophobicContact CD1-CG1 3.98Å; I2584-V2706 HydrophobicContact CD1-CG2 3.99Å; I2584-V2706 HydrophobicContact CG2-CG2 4.48Å; I2584-L2782 HydrophobicContact CD1-CD2 4.34Å; I2584-L2782 HydrophobicContact CG1-CD2 4.37Å; I2584-L2789 HydrophobicContact CD1-CD2 4.2Å; I2584-L2789 HydrophobicContact CG1-CD2 3.74Å |
| 2585 | N | 90.6 | Very high | 86.1 | Confident | 30.5 Ų | 30.5 | 33.9 Ų | 33.9 | 16% | 0.163 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.6 | -39.4 | 174.9 | -80.3 | -18.5 | 0 | 0 | 0 | 112.6 | N2581 G2582 M2583 L2588 V2589 I2601 | N2581-N2585 WeakPolarHBondContact O-CB 3.29Å; N2581-N2585 PolarHBondContact O-N 3.02Å; G2582-N2585 PolarHBondContact O-N 3.02Å; M2583-N2585 VanDerWaalsContact C-N 3.32Å; M2583-N2585 PolarHBondContact O-N 3.41Å; N2585-L2588 PolarHBondContact O-N 3.14Å; N2585-V2589 WeakPolarHBondContact O-CG2 3.4Å; N2585-V2589 PolarHBondContact O-N 3.29Å; N2585-V2589 VanDerWaalsContact O-N 3.12Å; N2585-I2601 PolarHBondContact ND2-O 2.88Å; N2585-I2601 PolarHBondContact OD1-N 3.09Å |
| 2586 | K | 84.9 | Confident | 85.6 | Confident | 39 Ų | 39 | 39 Ų | 39 | 17% | 0.17 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -43.4 | 176 | -122.1 | 176.3 | 177.6 | 177.2 | 0 | 111.8 | S2305 Y2309 P2504 H2506 G2582 M2583 I2584 L2588 V2589 I2590 | S2305-K2586 PolarHBondContact O-NZ 2.99Å; S2305-K2586 VanDerWaalsContact O-NZ 3.15Å; Y2309-K2586 HydrophobicContact CD2-CD 3.86Å; Y2309-K2586 HydrophobicContact CE2-CB 4.34Å; Y2309-K2586 HydrophobicContact CE2-CD 3.27Å; Y2309-K2586 HydrophobicContact CE2-CG 4.45Å; Y2309-K2586 HydrophobicContact CG-CD 4.48Å; Y2309-K2586 VanDerWaalsContact OH-CD 3.28Å; Y2309-K2586 WeakPolarHBondContact OH-CD 3.47Å; Y2309-K2586 WeakPolarHBondContact OH-CE 3.26Å; Y2309-K2586 PolarHBondContact OH-NZ 2.89Å; P2504-K2586 PolarHBondContact O-NZ 3.29Å; H2506-K2586 PolarHBondContact CD2-NZ 3.34Å; H2506-K2586 PolarHBondContact NE2-NZ 3.36Å; G2582-K2586 WeakPolarHBondContact O-CG 3.48Å; G2582-K2586 PolarHBondContact O-N 2.82Å; M2583-K2586 WeakPolarHBondContact O-CB 3.37Å; M2583-K2586 PolarHBondContact O-N 3.17Å; M2583-K2586 VanDerWaalsContact O-N 3.11Å; I2584-K2586 PolarHBondContact O-N 3.29Å; K2586-L2588 VanDerWaalsContact C-N 3.3Å; K2586-L2588 PolarHBondContact O-N 3.41Å; K2586-V2589 PolarHBondContact O-N 3.19Å; K2586-V2589 VanDerWaalsContact O-N 3.16Å; K2586-I2590 HydrophobicContact CD-CD1 4.43Å; K2586-I2590 HydrophobicContact CG-CD1 3.8Å; K2586-I2590 HydrophobicContact CG-CG1 4.36Å; K2586-I2590 VanDerWaalsContact O-CG1 3.28Å; K2586-I2590 WeakPolarHBondContact O-CG1 3.34Å; K2586-I2590 PolarHBondContact O-N 2.78Å |
| 2587 | F | 88.5 | Confident | 85.6 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -36.6 | 175.2 | -63.8 | -39.3 | 0 | 0 | 0 | 112.5 | M2583 I2584 V2589 I2590 N2591 L2781 E2785 P2788 | M2583-F2587 HydrophobicContact CG-CD2 4.09Å; M2583-F2587 HydrophobicContact CG-CE2 3.47Å; M2583-F2587 VanDerWaalsContact CG-CE2 3.43Å; M2583-F2587 HydrophobicContact CG-CZ 3.86Å; M2583-F2587 PolarHBondContact O-N 3.32Å; M2583-F2587 VanDerWaalsContact O-N 3.14Å; M2583-F2587 HydrophobicContact SD-CE2 3.84Å; M2583-F2587 HydrophobicContact SD-CZ 4.1Å; I2584-F2587 CarbonylContact O-C 3.38Å; I2584-F2587 PolarHBondContact O-N 3.34Å; F2587-V2589 VanDerWaalsContact C-N 3.31Å; F2587-V2589 PolarHBondContact O-N 3.03Å; F2587-I2590 HydrophobicContact CD1-CD1 4.44Å; F2587-I2590 PolarHBondContact O-N 3.27Å; F2587-N2591 WeakPolarHBondContact O-CB 3.15Å; F2587-N2591 PolarHBondContact O-N 3.34Å; F2587-L2781 HydrophobicContact CB-CD1 4.15Å; F2587-L2781 HydrophobicContact CB-CD2 3.91Å; F2587-L2781 HydrophobicContact CB-CG 4.26Å; F2587-E2785 HydrophobicContact CD1-CG 4.27Å; F2587-E2785 HydrophobicContact CD2-CB 4.05Å; F2587-E2785 HydrophobicContact CD2-CG 4.04Å; F2587-E2785 HydrophobicContact CE1-CG 4.5Å; F2587-E2785 HydrophobicContact CE2-CB 4.01Å; F2587-E2785 HydrophobicContact CE2-CG 4.26Å; F2587-E2785 HydrophobicContact CG-CG 4.05Å; F2587-E2785 HydrophobicContact CZ-CG 4.49Å; F2587-P2788 HydrophobicContact CE2-CB 4.03Å; F2587-P2788 HydrophobicContact CZ-CB 3.72Å; F2587-P2788 HydrophobicContact CZ-CG 4.12Å |
| 2588 | L | 90 | Very high | 85.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -35.1 | 175 | -69 | 169.8 | 0 | 0 | 0 | 112.1 | I2584 N2585 K2586 T2594 R2595 L2599 V2702 V2778 L2781 | I2584-L2588 HydrophobicContact CG2-CD1 3.89Å; I2584-L2588 HydrophobicContact CG2-CG 4.11Å; I2584-L2588 VanDerWaalsContact O-CG 3.31Å; I2584-L2588 WeakPolarHBondContact O-CG 3.41Å; I2584-L2588 PolarHBondContact O-N 3.26Å; N2585-L2588 PolarHBondContact O-N 3.14Å; K2586-L2588 VanDerWaalsContact C-N 3.3Å; K2586-L2588 PolarHBondContact O-N 3.41Å; L2588-T2594 WeakPolarHBondContact CA-OG1 3.26Å; L2588-T2594 HydrophobicContact CD2-CG2 3.84Å; L2588-T2594 CarbonylContact O-C 3.43Å; L2588-T2594 WeakPolarHBondContact O-CB 3.47Å; L2588-T2594 PolarHBondContact O-OG1 3.44Å; L2588-R2595 PolarHBondContact O-N 3.2Å; L2588-L2599 WeakPolarHBondContact CB-O 3.4Å; L2588-L2599 HydrophobicContact CD1-CB 4.36Å; L2588-L2599 HydrophobicContact CD2-CB 3.99Å; L2588-L2599 HydrophobicContact CD2-CD1 4.42Å; L2588-V2702 HydrophobicContact CD1-CG1 4.19Å; L2588-V2778 HydrophobicContact CD2-CG2 4.25Å; L2588-L2781 HydrophobicContact CD2-CD2 3.51Å; L2588-L2781 HydrophobicContact CG-CD2 3.93Å |
| 2589 | V | 85.6 | Confident | 85.7 | Confident | 91 Ų | 91 | 42.8 Ų | 42.8 | 55% | 0.552 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -76.7 | -37.5 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | N2585 K2586 F2587 R2595 | N2585-V2589 WeakPolarHBondContact O-CG2 3.4Å; N2585-V2589 PolarHBondContact O-N 3.29Å; N2585-V2589 VanDerWaalsContact O-N 3.12Å; K2586-V2589 PolarHBondContact O-N 3.19Å; K2586-V2589 VanDerWaalsContact O-N 3.16Å; F2587-V2589 VanDerWaalsContact C-N 3.31Å; F2587-V2589 PolarHBondContact O-N 3.03Å; V2589-R2595 WeakPolarHBondContact O-CD 3.46Å; V2589-R2595 PolarHBondContact O-NH1 2.96Å |
| 2590 | I | 82.6 | Confident | 86.1 | Confident | 101.5 Ų | 101.5 | 44.9 Ų | 44.9 | 52% | 0.521 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.6 | -45.3 | 179 | -69 | 166.8 | 0 | 0 | 0 | 110.5 | K2586 F2587 E2592 R2595 | K2586-I2590 HydrophobicContact CD-CD1 4.43Å; K2586-I2590 HydrophobicContact CG-CD1 3.8Å; K2586-I2590 HydrophobicContact CG-CG1 4.36Å; K2586-I2590 VanDerWaalsContact O-CG1 3.28Å; K2586-I2590 WeakPolarHBondContact O-CG1 3.34Å; K2586-I2590 PolarHBondContact O-N 2.78Å; F2587-I2590 HydrophobicContact CD1-CD1 4.44Å; F2587-I2590 PolarHBondContact O-N 3.27Å; I2590-E2592 PolarHBondContact O-N 3.29Å; I2590-R2595 PolarHBondContact O-NH1 3Å |
| 2591 | N | 84.5 | Confident | 86.4 | Confident | 50 Ų | 50 | 45.1 Ų | 45.1 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -71.2 | 128.7 | -178.2 | -178.4 | -57.4 | 0 | 0 | 0 | 111.5 | F2587 N2593 T2594 R2595 L2781 | F2587-N2591 WeakPolarHBondContact O-CB 3.15Å; F2587-N2591 PolarHBondContact O-N 3.34Å; N2591-N2593 PolarHBondContact O-N 3.47Å; N2591-N2593 WeakPolarHBondContact OD1-CB 3.29Å; N2591-N2593 PolarHBondContact OD1-N 3.13Å; N2591-T2594 VanDerWaalsContact CB-OG1 3.3Å; N2591-T2594 WeakPolarHBondContact CB-OG1 3.41Å; N2591-T2594 PolarHBondContact O-N 3.09Å; N2591-T2594 PolarHBondContact O-OG1 3.46Å; N2591-T2594 VanDerWaalsContact O-OG1 3.07Å; N2591-T2594 PolarHBondContact OD1-N 3.02Å; N2591-T2594 PolarHBondContact OD1-OG1 3.25Å; N2591-R2595 WeakPolarHBondContact O-CB 3.3Å; N2591-R2595 PolarHBondContact O-N 3.01Å; N2591-L2781 HydrophobicContact CB-CD1 3.64Å |
| 2592 | E | 76.8 | Confident | 86.5 | Confident | 64.5 Ų | 64.5 | 49.8 Ų | 49.8 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.7 | -41 | -174.1 | -178.1 | 171.3 | -168.6 | 0 | 0 | 113.1 | K2148 I2590 T2594 R2595 R2596 | K2148-E2592 WeakPolarHBondContact CB-OE1 3.28Å; I2590-E2592 PolarHBondContact O-N 3.29Å; E2592-T2594 VanDerWaalsContact C-N 3.34Å; E2592-T2594 PolarHBondContact O-N 3.35Å; E2592-R2595 PolarHBondContact O-N 2.78Å; E2592-R2596 WeakPolarHBondContact O-CB 3.19Å; E2592-R2596 VanDerWaalsContact O-CG 3.29Å; E2592-R2596 WeakPolarHBondContact O-CG 3.44Å; E2592-R2596 PolarHBondContact O-N 3.05Å; E2592-R2596 IonicContact OE1-CZ 3.04Å; E2592-R2596 IonicContact OE1-NE 3.7Å; E2592-R2596 IonicContact OE1-NH2 3.98Å; E2592-R2596 PolarHBondContact OE1-NH2 3.46Å |
| 2593 | N | 81.5 | Confident | 86.7 | Confident | 84.5 Ų | 84.5 | 50.6 Ų | 50.6 | 45% | 0.452 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.9 | -34.7 | -177.1 | -72.6 | -21.7 | 0 | 0 | 0 | 112.2 | N2591 R2597 | N2591-N2593 PolarHBondContact O-N 3.47Å; N2591-N2593 WeakPolarHBondContact OD1-CB 3.29Å; N2591-N2593 PolarHBondContact OD1-N 3.13Å; N2593-R2597 PolarHBondContact O-NH1 3.27Å |
| 2594 | T | 86.8 | Confident | 87.1 | Confident | 0.5 Ų | 0.5 | 50.6 Ų | 50.6 | 0% | 0.003 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -83.4 | -35.8 | 178.3 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | L2588 N2591 E2592 R2597 A2598 L2599 A2777 L2781 | L2588-T2594 WeakPolarHBondContact CA-OG1 3.26Å; L2588-T2594 HydrophobicContact CD2-CG2 3.84Å; L2588-T2594 CarbonylContact O-C 3.43Å; L2588-T2594 WeakPolarHBondContact O-CB 3.47Å; L2588-T2594 PolarHBondContact O-OG1 3.44Å; N2591-T2594 VanDerWaalsContact CB-OG1 3.3Å; N2591-T2594 WeakPolarHBondContact CB-OG1 3.41Å; N2591-T2594 PolarHBondContact O-N 3.09Å; N2591-T2594 PolarHBondContact O-OG1 3.46Å; N2591-T2594 VanDerWaalsContact O-OG1 3.07Å; N2591-T2594 PolarHBondContact OD1-N 3.02Å; N2591-T2594 PolarHBondContact OD1-OG1 3.25Å; E2592-T2594 VanDerWaalsContact C-N 3.34Å; E2592-T2594 PolarHBondContact O-N 3.35Å; T2594-R2597 CarbonylContact O-C 3.47Å; T2594-R2597 PolarHBondContact O-N 2.77Å; T2594-A2598 PolarHBondContact O-N 3Å; T2594-A2598 VanDerWaalsContact O-N 3.11Å; T2594-L2599 HydrophobicContact CG2-CD1 3.92Å; T2594-L2599 PolarHBondContact O-N 3.25Å; T2594-L2599 VanDerWaalsContact O-N 3.13Å; T2594-A2777 HydrophobicContact CG2-CB 4.09Å; T2594-L2781 HydrophobicContact CG2-CD2 4.42Å |
| 2595 | R | 84.5 | Confident | 87.1 | Confident | 111.5 Ų | 111.5 | 50.6 Ų | 50.6 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 173.2 | -177.8 | 177.6 | 59.6 | -111.3 | 0.7 | 112 | L2588 V2589 I2590 N2591 E2592 R2597 A2598 | L2588-R2595 PolarHBondContact O-N 3.2Å; V2589-R2595 WeakPolarHBondContact O-CD 3.46Å; V2589-R2595 PolarHBondContact O-NH1 2.96Å; I2590-R2595 PolarHBondContact O-NH1 3Å; N2591-R2595 WeakPolarHBondContact O-CB 3.3Å; N2591-R2595 PolarHBondContact O-N 3.01Å; E2592-R2595 PolarHBondContact O-N 2.78Å; R2595-R2597 PolarHBondContact O-N 3.22Å; R2595-A2598 PolarHBondContact O-N 3.29Å |
| 2596 | R | 76.1 | Confident | 87.2 | Confident | 118.5 Ų | 118.5 | 49.3 Ų | 49.3 | 45% | 0.447 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.4 | -32.4 | 176.5 | -127.8 | 177.6 | -179 | 179.3 | 1.9 | 112.4 | K2148 E2592 | K2148-R2596 PolarHBondContact O-NH2 2.94Å; K2148-R2596 VanDerWaalsContact O-NH2 3.16Å; E2592-R2596 WeakPolarHBondContact O-CB 3.19Å; E2592-R2596 VanDerWaalsContact O-CG 3.29Å; E2592-R2596 WeakPolarHBondContact O-CG 3.44Å; E2592-R2596 PolarHBondContact O-N 3.05Å; E2592-R2596 IonicContact OE1-CZ 3.04Å; E2592-R2596 IonicContact OE1-NE 3.7Å; E2592-R2596 IonicContact OE1-NH2 3.98Å; E2592-R2596 PolarHBondContact OE1-NH2 3.46Å |
| 2597 | R | 84.1 | Confident | 87.6 | Confident | 42.5 Ų | 42.5 | 47.8 Ų | 47.8 | 16% | 0.16 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 0.9 | 178.1 | -68.5 | 172.9 | 175.6 | 82.8 | 4.1 | 113.5 | D1804 N2593 T2594 R2595 L2599 R2698 | D1804-R2597 IonicContact OD1-CZ 2.66Å; D1804-R2597 IonicContact OD1-NE 3.55Å; D1804-R2597 PolarHBondContact OD1-NE 3.38Å; D1804-R2597 IonicContact OD1-NH2 2.76Å; D1804-R2597 PolarHBondContact OD1-NH2 3.14Å; D1804-R2597 WeakPolarHBondContact OD2-CD 3.28Å; D1804-R2597 IonicContact OD2-CZ 3.21Å; D1804-R2597 IonicContact OD2-NE 2.93Å; D1804-R2597 PolarHBondContact OD2-NE 3.03Å; D1804-R2597 IonicContact OD2-NH2 3.5Å; N2593-R2597 PolarHBondContact O-NH1 3.27Å; T2594-R2597 CarbonylContact O-C 3.47Å; T2594-R2597 PolarHBondContact O-N 2.77Å; R2595-R2597 PolarHBondContact O-N 3.22Å; R2597-L2599 HydrophobicContact CB-CD1 4.45Å; R2597-L2599 HydrophobicContact CB-CD2 3.79Å; R2597-L2599 HydrophobicContact CB-CG 3.79Å; R2597-L2599 PolarHBondContact O-N 3.28Å; R2597-L2599 VanDerWaalsContact O-N 3.12Å; R2597-R2698 WeakPolarHBondContact O-CD 3.16Å; R2597-R2698 PolarHBondContact O-NH1 3.14Å |
| 2598 | A | 86.5 | Confident | 87.6 | Confident | 66.5 Ų | 66.5 | 47.8 Ų | 47.8 | 55% | 0.55 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 40.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T2594 R2595 Q2600 | T2594-A2598 PolarHBondContact O-N 3Å; T2594-A2598 VanDerWaalsContact O-N 3.11Å; R2595-A2598 PolarHBondContact O-N 3.29Å; A2598-Q2600 PolarHBondContact O-N 3.01Å |
| 2599 | L | 91.5 | Very high | 87.6 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | trans | -68.5 | 132.8 | -179.7 | -58.3 | -172.9 | 0 | 0 | 0 | 110.6 | L2588 T2594 R2597 R2698 V2702 C2774 V2778 | L2588-L2599 WeakPolarHBondContact CB-O 3.4Å; L2588-L2599 HydrophobicContact CD1-CB 4.36Å; L2588-L2599 HydrophobicContact CD2-CB 3.99Å; L2588-L2599 HydrophobicContact CD2-CD1 4.42Å; T2594-L2599 HydrophobicContact CG2-CD1 3.92Å; T2594-L2599 PolarHBondContact O-N 3.25Å; T2594-L2599 VanDerWaalsContact O-N 3.13Å; R2597-L2599 HydrophobicContact CB-CD1 4.45Å; R2597-L2599 HydrophobicContact CB-CD2 3.79Å; R2597-L2599 HydrophobicContact CB-CG 3.79Å; R2597-L2599 PolarHBondContact O-N 3.28Å; R2597-L2599 VanDerWaalsContact O-N 3.12Å; L2599-R2698 HydrophobicContact CD2-CB 3.75Å; L2599-R2698 HydrophobicContact CD2-CG 3.87Å; L2599-V2702 HydrophobicContact CB-CG2 3.92Å; L2599-V2702 HydrophobicContact CD1-CG2 4.22Å; L2599-V2702 HydrophobicContact CD2-CG2 4.27Å; L2599-V2702 HydrophobicContact CG-CG2 4.36Å; L2599-C2774 HydrophobicContact CD1-CB 4.43Å; L2599-C2774 HydrophobicContact CD2-CB 4.19Å; L2599-V2778 HydrophobicContact CD1-CG2 3.62Å | ||
| 2600 | Q | 92.8 | Very high | 87.5 | Confident | 96 Ų | 96 | 44.5 Ų | 44.5 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | trans | -153.1 | 161.3 | 179.4 | 62.1 | 179.4 | -2.8 | 0 | 0 | 111.6 | A2598 | A2598-Q2600 PolarHBondContact O-N 3.01Š| ||
| 2601 | I | 93.7 | Very high | 87.4 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | trans | -113.4 | 128.8 | 170.2 | -59 | 173.7 | 0 | 0 | 0 | 107.6 | N2581 I2584 N2585 T2603 V2702 M2703 V2706 | N2581-I2601 HydrophobicContact CB-CB 4.48Å; N2581-I2601 HydrophobicContact CB-CD1 4.33Å; N2581-I2601 HydrophobicContact CB-CG2 3.96Å; I2584-I2601 HydrophobicContact CB-CD1 4.2Å; I2584-I2601 HydrophobicContact CD1-CD1 4.44Å; I2584-I2601 HydrophobicContact CG2-CD1 3.81Å; N2585-I2601 PolarHBondContact ND2-O 2.88Å; N2585-I2601 PolarHBondContact OD1-N 3.09Å; I2601-T2603 PolarHBondContact O-N 2.82Å; I2601-V2702 HydrophobicContact CD1-CG1 3.81Å; I2601-V2702 HydrophobicContact CG1-CG1 3.38Å; I2601-M2703 HydrophobicContact CB-SD 4.4Å; I2601-M2703 HydrophobicContact CD1-SD 4.19Å; I2601-M2703 HydrophobicContact CG1-SD 4.08Å; I2601-M2703 HydrophobicContact CG2-SD 3.55Å; I2601-M2703 VanDerWaalsContact CG2-SD 3.55Å; I2601-V2706 HydrophobicContact CD1-CG2 4.06Å | ||
| 2602 | R | 91.6 | Very high | 87.3 | Confident | 100 Ų | 100 | 45.9 Ų | 45.9 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | trans | -69 | 116.1 | 172.3 | -167.9 | 71.4 | 167.2 | -173.8 | -7.7 | 109.4 | V2619 D2723 V2730 | R2602-V2619 HydrophobicContact CG-CG1 4.26Å; R2602-D2723 IonicContact NH2-OD2 3.8Å; R2602-V2730 HydrophobicContact CB-CG1 4.27Å; R2602-V2730 HydrophobicContact CB-CG2 3.82Å; R2602-V2730 HydrophobicContact CG-CG1 4.3Å; R2602-V2730 HydrophobicContact CG-CG2 3.85Å | ||
| 2603 | T | 91.8 | Very high | 87.7 | Confident | 30 Ų | 30 | 43 Ų | 43 | 18% | 0.184 | 20% | 0.204 | C | C | . | . | trans | -105.9 | 153.3 | 176.7 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | H2499 N2581 I2601 | H2499-T2603 PolarHBondContact CD2-OG1 2.84Å; H2499-T2603 WeakPolarHBondContact NE2-CB 3.41Å; H2499-T2603 PolarHBondContact NE2-OG1 2.9Å; N2581-T2603 HydrophobicContact CB-CG2 3.67Å; I2601-T2603 PolarHBondContact O-N 2.82Å | ||
| 2604 | Y | 93.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | trans | -143.9 | 159.2 | 177.4 | 55.2 | -93.2 | 0 | 0 | 0 | 109.3 | M2578 V2606 I2616 V2619 V2732 F2734 | M2578-Y2604 HydrophobicContact CE-CE1 4.34Å; M2578-Y2604 VanDerWaalsContact CG-O 3.26Å; M2578-Y2604 WeakPolarHBondContact CG-O 3.05Å; M2578-Y2604 HydrophobicContact SD-CD1 3.98Å; M2578-Y2604 HydrophobicContact SD-CD2 4.35Å; M2578-Y2604 HydrophobicContact SD-CE1 3.92Å; M2578-Y2604 HydrophobicContact SD-CE2 4.28Å; M2578-Y2604 HydrophobicContact SD-CG 4.21Å; Y2604-V2606 HydrophobicContact CD2-CG2 3.74Å; Y2604-V2606 HydrophobicContact CE2-CG2 3.45Å; Y2604-V2606 VanDerWaalsContact CE2-CG2 3.45Å; Y2604-I2616 HydrophobicContact CD2-CG2 3.95Å; Y2604-I2616 HydrophobicContact CE2-CG2 3.81Å; Y2604-V2619 HydrophobicContact CD1-CG2 3.71Å; Y2604-V2619 HydrophobicContact CE1-CG2 4.42Å; Y2604-V2619 HydrophobicContact CG-CG2 3.96Å; Y2604-V2732 HydrophobicContact CE1-CG1 4.16Å; Y2604-F2734 HydrophobicContact CE1-CE2 4.36Å; Y2604-F2734 VanDerWaalsContact OH-CE2 3.26Å; Y2604-F2734 WeakPolarHBondContact OH-CE2 3.49Å | ||
| 2605 | A | 92.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | trans | -77.9 | 137.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P2497 H2499 L2502 E2617 | P2497-A2605 WeakPolarHBondContact O-CB 3.39Å; H2499-A2605 HydrophobicContact CB-CB 4.29Å; L2502-A2605 HydrophobicContact CD1-CB 4.19Å; A2605-E2617 HydrophobicContact CB-CB 4.04Å; A2605-E2617 WeakPolarHBondContact CB-OE2 3.06Å; A2605-E2617 PolarHBondContact N-OE2 3.15Å; A2605-E2617 PolarHBondContact O-N 3.46Å | ||
| 2606 | V | 92.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 115.1 | 171.7 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | L2571 D2574 S2575 M2578 Y2604 I2616 | L2571-V2606 HydrophobicContact CB-CG1 3.68Å; L2571-V2606 HydrophobicContact CD1-CG1 4.08Å; L2571-V2606 HydrophobicContact CD2-CG1 4.47Å; L2571-V2606 HydrophobicContact CG-CG1 4.31Å; D2574-V2606 HydrophobicContact CB-CB 4.41Å; D2574-V2606 HydrophobicContact CB-CG1 3.81Å; D2574-V2606 HydrophobicContact CB-CG2 4.28Å; S2575-V2606 WeakPolarHBondContact CB-O 3.45Å; S2575-V2606 PolarHBondContact OG-O 3.1Å; M2578-V2606 HydrophobicContact CG-CG2 4Å; Y2604-V2606 HydrophobicContact CD2-CG2 3.74Å; Y2604-V2606 HydrophobicContact CE2-CG2 3.45Å; Y2604-V2606 VanDerWaalsContact CE2-CG2 3.45Å; V2606-I2616 HydrophobicContact CG1-CG1 4.35Å; V2606-I2616 HydrophobicContact CG2-CG1 4.48Å; V2606-I2616 HydrophobicContact CG2-CG2 4.49Å |
| 2607 | I | 91.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.036 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 105.3 | -176.3 | -55 | -52.5 | 0 | 0 | 0 | 109.4 | W2410 P2497 L2502 L2609 G2614 L2615 | W2410-I2607 HydrophobicContact CB-CD1 4.26Å; W2410-I2607 HydrophobicContact CB-CG2 4.3Å; W2410-I2607 HydrophobicContact CD2-CG2 4.34Å; W2410-I2607 HydrophobicContact CE3-CG2 3.67Å; W2410-I2607 HydrophobicContact CZ3-CG2 4.36Å; P2497-I2607 HydrophobicContact CB-CD1 4.19Å; P2497-I2607 HydrophobicContact CB-CG1 3.62Å; P2497-I2607 HydrophobicContact CG-CG1 4.24Å; L2502-I2607 HydrophobicContact CD1-CD1 3.69Å; I2607-L2609 HydrophobicContact CG2-CD2 4.43Å; I2607-L2609 PolarHBondContact O-N 3.16Å; I2607-G2614 CarbonylContact O-C 3.52Å; I2607-G2614 VanDerWaalsContact O-CA 3.32Å; I2607-G2614 WeakPolarHBondContact O-CA 3.23Å; I2607-L2615 HydrophobicContact CB-CB 4.32Å; I2607-L2615 PolarHBondContact N-O 3.11Å; I2607-L2615 PolarHBondContact O-N 3.24Å |
| 2608 | P | 89.9 | Confident | 90.2 | Very high | 12 Ų | 12 | 34 Ų | 34 | 8% | 0.078 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 128.8 | 169.8 | 20.7 | -19.3 | 0 | 0 | 0 | 109.4 | P2414 L2571 R2572 | P2414-P2608 HydrophobicContact CB-CB 4.22Å; P2414-P2608 HydrophobicContact CB-CG 4.37Å; P2414-P2608 WeakPolarHBondContact CB-O 3.41Å; P2414-P2608 WeakPolarHBondContact CD-O 3.22Å; P2414-P2608 HydrophobicContact CG-CB 4.44Å; P2414-P2608 HydrophobicContact CG-CG 4.12Å; P2414-P2608 VanDerWaalsContact CG-O 3.31Å; P2414-P2608 WeakPolarHBondContact CG-O 3.08Å; L2571-P2608 HydrophobicContact CB-CB 4.26Å; R2572-P2608 HydrophobicContact CG-CB 3.99Å; R2572-P2608 HydrophobicContact CG-CG 3.92Å |
| 2609 | L | 89.5 | Confident | 90.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -30.4 | 173.4 | -65.9 | 177.4 | 0 | 0 | 0 | 111.3 | W2410 I2413 C2452 L2455 K2456 I2607 G2613 L2615 | W2410-L2609 HydrophobicContact CZ3-CD2 4.28Å; I2413-L2609 HydrophobicContact CG2-CD2 4.16Å; C2452-L2609 HydrophobicContact CB-CD2 4.28Å; L2455-L2609 HydrophobicContact CB-CD1 3.9Å; K2456-L2609 HydrophobicContact CD-CB 4.38Å; K2456-L2609 HydrophobicContact CG-CB 3.98Å; K2456-L2609 HydrophobicContact CG-CD1 4.2Å; I2607-L2609 HydrophobicContact CG2-CD2 4.43Å; I2607-L2609 PolarHBondContact O-N 3.16Å; L2609-G2613 PolarHBondContact N-O 2.68Å; L2609-L2615 HydrophobicContact CD1-CD1 4.31Å; L2609-L2615 HydrophobicContact CD1-CD2 3.97Å; L2609-L2615 HydrophobicContact CD1-CG 3.84Å; L2609-L2615 HydrophobicContact CD2-CD1 4.24Å; L2609-L2615 HydrophobicContact CD2-CG 4.38Å; L2609-L2615 HydrophobicContact CG-CG 4.11Å |
| 2610 | S | 84.6 | Confident | 90.3 | Very high | 23 Ų | 23 | 35.7 Ų | 35.7 | 16% | 0.161 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | -177.3 | 173.4 | 70.2 | 0 | 0 | 0 | 0 | 109.1 | K2612 G2613 | S2610-K2612 PolarHBondContact O-N 2.74Å; S2610-K2612 PolarHBondContact OG-N 3.48Å; S2610-K2612 VanDerWaalsContact OG-N 3.15Å; S2610-G2613 PolarHBondContact N-O 2.95Å; S2610-G2613 VanDerWaalsContact N-O 3.11Å; S2610-G2613 VanDerWaalsContact O-O 3.13Å |
| 2611 | E | 79.6 | Confident | 90.3 | Very high | 35 Ų | 35 | 35 Ų | 35 | 16% | 0.164 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -9.2 | 172.3 | -54.7 | -172.3 | 156.3 | 0 | 0 | 113.2 | T2419 R2572 | T2419-E2611 VanDerWaalsContact CB-OE2 3.3Å; T2419-E2611 WeakPolarHBondContact CB-OE2 3.22Å; T2419-E2611 WeakPolarHBondContact CG2-OE2 3.31Å; T2419-E2611 VanDerWaalsContact OG1-CD 3.24Å; T2419-E2611 PolarHBondContact OG1-OE1 3Å; T2419-E2611 PolarHBondContact OG1-OE2 2.85Å; R2572-E2611 IonicContact CZ-OE1 3.07Å; R2572-E2611 IonicContact NH1-OE1 3.59Å; R2572-E2611 PolarHBondContact NH1-OE1 3.37Å; R2572-E2611 IonicContact NH2-OE1 3.62Å |
| 2612 | K | 81.7 | Confident | 90.3 | Very high | 145 Ų | 145 | 35.5 Ų | 35.5 | 63% | 0.63 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | 34.3 | -177.4 | -63.7 | -172.7 | 180 | -178.9 | 0 | 112.3 | N2568 S2610 | N2568-K2612 WeakPolarHBondContact CA-O 3.43Å; N2568-K2612 PolarHBondContact N-O 3.05Å; S2610-K2612 PolarHBondContact O-N 2.74Å; S2610-K2612 PolarHBondContact OG-N 3.48Å; S2610-K2612 VanDerWaalsContact OG-N 3.15Å |
| 2613 | G | 85 | Confident | 90.4 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.3 | 171.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K2566 D2569 L2609 S2610 | K2566-G2613 WeakPolarHBondContact O-CA 3.39Å; D2569-G2613 VanDerWaalsContact O-CA 3.27Å; D2569-G2613 WeakPolarHBondContact O-CA 3.18Å; D2569-G2613 PolarHBondContact O-N 3.04Å; L2609-G2613 PolarHBondContact N-O 2.68Å; S2610-G2613 PolarHBondContact N-O 2.95Å; S2610-G2613 VanDerWaalsContact N-O 3.11Å; S2610-G2613 VanDerWaalsContact O-O 3.13Å |
| 2614 | G | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | -159.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A2565 K2566 I2607 | A2565-G2614 WeakPolarHBondContact CA-O 3.47Å; K2566-G2614 PolarHBondContact N-O 3.29Å; K2566-G2614 PolarHBondContact O-N 2.94Å; I2607-G2614 CarbonylContact O-C 3.52Å; I2607-G2614 VanDerWaalsContact O-CA 3.32Å; I2607-G2614 WeakPolarHBondContact O-CA 3.23Å |
| 2615 | L | 93.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.6 | -173.8 | -52.1 | 174.3 | 0 | 0 | 0 | 110.3 | W2410 L2455 M2551 I2563 V2564 A2565 I2607 L2609 | W2410-L2615 HydrophobicContact CH2-CD1 4.4Å; W2410-L2615 HydrophobicContact CZ3-CD1 4.17Å; L2455-L2615 HydrophobicContact CD1-CD1 3.99Å; M2551-L2615 HydrophobicContact CE-CD2 4.17Å; I2563-L2615 HydrophobicContact CG2-CB 3.82Å; I2563-L2615 HydrophobicContact CG2-CD1 4.43Å; I2563-L2615 HydrophobicContact CG2-CD2 4.13Å; I2563-L2615 HydrophobicContact CG2-CG 4.34Å; V2564-L2615 CarbonylContact O-C 3.51Å; V2564-L2615 WeakPolarHBondContact O-CA 3.48Å; A2565-L2615 HydrophobicContact CB-CD2 4.15Å; I2607-L2615 HydrophobicContact CB-CB 4.32Å; I2607-L2615 PolarHBondContact N-O 3.11Å; I2607-L2615 PolarHBondContact O-N 3.24Å; L2609-L2615 HydrophobicContact CD1-CD1 4.31Å; L2609-L2615 HydrophobicContact CD1-CD2 3.97Å; L2609-L2615 HydrophobicContact CD1-CG 3.84Å; L2609-L2615 HydrophobicContact CD2-CD1 4.24Å; L2609-L2615 HydrophobicContact CD2-CG 4.38Å; L2609-L2615 HydrophobicContact CG-CG 4.11Å |
| 2616 | I | 93.7 | Very high | 90.5 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.2 | 176 | -60.2 | 177.7 | 0 | 0 | 0 | 108.1 | V2564 K2566 L2571 Y2604 V2606 W2618 | V2564-I2616 HydrophobicContact CB-CB 4.5Å; V2564-I2616 PolarHBondContact N-O 3.11Å; V2564-I2616 PolarHBondContact O-N 3.29Å; K2566-I2616 HydrophobicContact CB-CD1 4.32Å; K2566-I2616 HydrophobicContact CD-CD1 3.92Å; L2571-I2616 HydrophobicContact CD1-CD1 4.23Å; L2571-I2616 HydrophobicContact CD1-CG1 3.88Å; L2571-I2616 HydrophobicContact CD2-CD1 4.04Å; L2571-I2616 HydrophobicContact CD2-CG1 4.49Å; Y2604-I2616 HydrophobicContact CD2-CG2 3.95Å; Y2604-I2616 HydrophobicContact CE2-CG2 3.81Å; V2606-I2616 HydrophobicContact CG1-CG1 4.35Å; V2606-I2616 HydrophobicContact CG2-CG1 4.48Å; V2606-I2616 HydrophobicContact CG2-CG2 4.49Å; I2616-W2618 PolarHBondContact O-N 3.27Å |
| 2617 | E | 94.6 | Very high | 90.5 | Very high | 46 Ų | 46 | 40 Ų | 40 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 127.1 | 170.3 | 176.5 | 179 | -171.1 | 0 | 0 | 110.1 | H2499 A2605 V2619 | H2499-E2617 PolarHBondContact N-OE2 3Å; A2605-E2617 HydrophobicContact CB-CB 4.04Å; A2605-E2617 WeakPolarHBondContact CB-OE2 3.06Å; A2605-E2617 PolarHBondContact N-OE2 3.15Å; A2605-E2617 PolarHBondContact O-N 3.46Å; E2617-V2619 PolarHBondContact O-N 3.43Å |
| 2618 | W | 92.7 | Very high | 90.6 | Very high | 91 Ų | 91 | 39.7 Ų | 39.7 | 35% | 0.345 | 19% | 0.192 | S | C | . | . | trans | -75.6 | 125.7 | 177 | -178.5 | -91.2 | 0 | 0 | 0 | 111 | L2542 I2562 V2564 I2616 R2620 | L2542-W2618 HydrophobicContact CD1-CZ3 4.11Å; I2562-W2618 HydrophobicContact CB-CB 3.67Å; I2562-W2618 HydrophobicContact CB-CG 4.11Å; I2562-W2618 HydrophobicContact CG2-CB 3.48Å; I2562-W2618 VanDerWaalsContact CG2-CB 3.48Å; I2562-W2618 HydrophobicContact CG2-CD2 4.41Å; I2562-W2618 HydrophobicContact CG2-CG 3.75Å; I2562-W2618 VanDerWaalsContact O-CB 3.28Å; I2562-W2618 WeakPolarHBondContact O-CB 3.38Å; I2562-W2618 PolarHBondContact O-N 3.26Å; V2564-W2618 HydrophobicContact CG2-CB 4.46Å; V2564-W2618 HydrophobicContact CG2-CE3 3.58Å; V2564-W2618 HydrophobicContact CG2-CZ3 4.23Å; I2616-W2618 PolarHBondContact O-N 3.27Å; W2618-R2620 PolarHBondContact O-N 3.19Å | ||
| 2619 | V | 91.8 | Very high | 90.7 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 9% | 0.085 | 19% | 0.189 | C | C | . | . | trans | -77.5 | 108.3 | 176.7 | -166.3 | 0 | 0 | 0 | 0 | 109.5 | R2602 Y2604 E2617 T2622 V2730 | R2602-V2619 HydrophobicContact CG-CG1 4.26Å; Y2604-V2619 HydrophobicContact CD1-CG2 3.71Å; Y2604-V2619 HydrophobicContact CE1-CG2 4.42Å; Y2604-V2619 HydrophobicContact CG-CG2 3.96Å; E2617-V2619 PolarHBondContact O-N 3.43Å; V2619-T2622 HydrophobicContact CB-CG2 3.96Å; V2619-T2622 HydrophobicContact CG1-CG2 3.51Å; V2619-T2622 PolarHBondContact O-OG1 3.45Å; V2619-V2730 HydrophobicContact CG1-CG1 4.47Å; V2619-V2730 HydrophobicContact CG2-CG1 4.39Å | ||
| 2620 | R | 89.4 | Confident | 90.7 | Very high | 95 Ų | 95 | 41 Ų | 41 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 155.2 | -179.2 | -67.7 | -172.1 | 163.2 | 170 | -9.6 | 112.7 | E2560 W2618 T2622 | E2560-R2620 VanDerWaalsContact O-CZ 3.23Å; E2560-R2620 PolarHBondContact O-NH1 3.41Å; E2560-R2620 VanDerWaalsContact O-NH1 3.15Å; E2560-R2620 PolarHBondContact O-NH2 2.91Å; W2618-R2620 PolarHBondContact O-N 3.19Å; R2620-T2622 PolarHBondContact O-N 3.45Å; R2620-T2622 VanDerWaalsContact O-N 3.08Å |
| 2621 | N | 91.6 | Very high | 91 | Very high | 80 Ų | 80 | 44 Ų | 44 | 43% | 0.428 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 13.8 | 175.6 | -45.4 | -44 | 0 | 0 | 0 | 114.5 | D2723 S2724 I2725 | N2621-D2723 WeakPolarHBondContact CB-OD1 3.44Å; N2621-S2724 PolarHBondContact O-N 3.4Å; N2621-S2724 PolarHBondContact O-OG 3.05Å; N2621-I2725 HydrophobicContact CB-CD1 3.98Å; N2621-I2725 HydrophobicContact CB-CG1 3.97Å; N2621-I2725 VanDerWaalsContact CG-CD1 3.46Å; N2621-I2725 WeakPolarHBondContact ND2-CD1 3.28Å |
| 2622 | T | 93.7 | Very high | 91.5 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 145.1 | 179.2 | 62 | 0 | 0 | 0 | 0 | 112.2 | V2619 R2620 L2721 F2722 D2723 V2730 | V2619-T2622 HydrophobicContact CB-CG2 3.96Å; V2619-T2622 HydrophobicContact CG1-CG2 3.51Å; V2619-T2622 PolarHBondContact O-OG1 3.45Å; R2620-T2622 PolarHBondContact O-N 3.45Å; R2620-T2622 VanDerWaalsContact O-N 3.08Å; T2622-L2721 HydrophobicContact CG2-CB 4.42Å; T2622-F2722 CarbonylContact C-O 3.56Å; T2622-F2722 VanDerWaalsContact CA-O 3.26Å; T2622-F2722 WeakPolarHBondContact CA-O 3.33Å; T2622-D2723 HydrophobicContact CG2-CB 4.41Å; T2622-V2730 HydrophobicContact CG2-CG2 4.24Å |
| 2623 | Q | 93.5 | Very high | 91.9 | Very high | 72 Ų | 72 | 35.5 Ų | 35.5 | 34% | 0.336 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.5 | 173.5 | -67.5 | -179.3 | 1.8 | 0 | 0 | 110.1 | I2628 L2721 F2722 | Q2623-I2628 HydrophobicContact CB-CD1 3.91Å; Q2623-I2628 HydrophobicContact CB-CG1 3.87Å; Q2623-L2721 WeakPolarHBondContact O-CA 3.32Å; Q2623-F2722 PolarHBondContact N-O 3.49Å; Q2623-F2722 PolarHBondContact O-N 3.02Å |
| 2624 | P | 94.4 | Very high | 92 | Very high | 47 Ų | 47 | 39.6 Ų | 39.6 | 31% | 0.305 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 141 | 175.6 | -20.3 | 29.6 | 0 | 0 | 0 | 112.5 | R2626 S2627 I2628 L2721 | P2624-R2626 PolarHBondContact O-N 3.07Å; P2624-S2627 WeakPolarHBondContact CD-OG 3.39Å; P2624-S2627 WeakPolarHBondContact O-CB 3.18Å; P2624-S2627 PolarHBondContact O-N 2.72Å; P2624-S2627 PolarHBondContact O-OG 2.93Å; P2624-I2628 PolarHBondContact O-N 2.63Å; P2624-L2721 HydrophobicContact CB-CD2 3.82Å; P2624-L2721 HydrophobicContact CG-CD2 3.79Å |
| 2625 | F | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.1 | -41.5 | -178.4 | -173 | -136.5 | 0 | 0 | 0 | 112.6 | S2627 I2628 I2629 F2675 T2717 I2720 F2722 M2758 L2904 | F2625-S2627 VanDerWaalsContact C-N 3.3Å; F2625-S2627 PolarHBondContact O-N 3.37Å; F2625-I2628 PolarHBondContact O-N 2.98Å; F2625-I2629 HydrophobicContact CD2-CD1 4.35Å; F2625-I2629 HydrophobicContact CD2-CG1 3.77Å; F2625-I2629 HydrophobicContact CE1-CG1 4.21Å; F2625-I2629 HydrophobicContact CE2-CD1 3.57Å; F2625-I2629 HydrophobicContact CE2-CG1 3.42Å; F2625-I2629 VanDerWaalsContact CE2-CG1 3.42Å; F2625-I2629 HydrophobicContact CG-CG1 4.35Å; F2625-I2629 HydrophobicContact CZ-CD1 3.81Å; F2625-I2629 HydrophobicContact CZ-CG1 3.66Å; F2625-I2629 WeakPolarHBondContact O-CG1 3.25Å; F2625-I2629 PolarHBondContact O-N 3.35Å; F2625-F2675 HydrophobicContact CD2-CD2 4.22Å; F2625-F2675 AromaticContact CD2-CE2 3.9Å; F2625-F2675 HydrophobicContact CD2-CE2 3.9Å; F2625-F2675 HydrophobicContact CD2-CZ 4.12Å; F2625-F2675 HydrophobicContact CE2-CB 4.46Å; F2625-F2675 AromaticContact CE2-CD1 3.85Å; F2625-F2675 HydrophobicContact CE2-CD1 3.85Å; F2625-F2675 AromaticContact CE2-CD2 3.56Å; F2625-F2675 HydrophobicContact CE2-CD2 3.56Å; F2625-F2675 AromaticContact CE2-CE1 3.93Å; F2625-F2675 HydrophobicContact CE2-CE1 3.93Å; F2625-F2675 AromaticContact CE2-CE2 3.63Å; F2625-F2675 HydrophobicContact CE2-CE2 3.63Å; F2625-F2675 AromaticContact CE2-CG 3.69Å; F2625-F2675 HydrophobicContact CE2-CG 3.69Å; F2625-F2675 AromaticContact CE2-CZ 3.83Å; F2625-F2675 HydrophobicContact CE2-CZ 3.83Å; F2625-F2675 HydrophobicContact CZ-CD1 4.4Å; F2625-F2675 HydrophobicContact CZ-CG 4.36Å; F2625-T2717 VanDerWaalsContact CB-O 3.3Å; F2625-T2717 WeakPolarHBondContact CB-O 3.34Å; F2625-T2717 HydrophobicContact CD1-CG2 3.67Å; F2625-T2717 HydrophobicContact CE1-CG2 4.21Å; F2625-T2717 PolarHBondContact N-O 3.04Å; F2625-T2717 VanDerWaalsContact N-O 3.16Å; F2625-I2720 WeakPolarHBondContact CB-O 3.37Å; F2625-I2720 PolarHBondContact N-O 3.32Å; F2625-F2722 HydrophobicContact CB-CD2 4.23Å; F2625-F2722 HydrophobicContact CB-CE2 3.7Å; F2625-F2722 HydrophobicContact CD2-CD2 4.08Å; F2625-F2722 AromaticContact CD2-CE2 3.32Å; F2625-F2722 HydrophobicContact CD2-CE2 3.32Å; F2625-F2722 HydrophobicContact CD2-CZ 4.1Å; F2625-F2722 HydrophobicContact CE2-CE2 4.14Å; F2625-F2722 AromaticContact CG-CE2 3.7Å; F2625-F2722 HydrophobicContact CG-CE2 3.7Å; F2625-M2758 HydrophobicContact CZ-CG 4.34Å; F2625-L2904 HydrophobicContact CE1-CB 4.23Å; F2625-L2904 HydrophobicContact CE1-CD1 4.41Å |
| 2626 | R | 91.3 | Very high | 91.1 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 25% | 0.253 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.5 | -44.8 | 175.8 | -167.3 | -178 | 172.5 | 97.6 | -5.9 | 112.3 | P2624 T2630 T2717 E2718 M2901 | P2624-R2626 PolarHBondContact O-N 3.07Å; R2626-T2630 VanDerWaalsContact O-CB 3.31Å; R2626-T2630 WeakPolarHBondContact O-CB 3.5Å; R2626-T2630 PolarHBondContact O-N 3.26Å; R2626-T2630 PolarHBondContact O-OG1 3.17Å; R2626-T2717 WeakPolarHBondContact CB-OG1 3.27Å; R2626-T2717 PolarHBondContact N-O 3.26Å; R2626-E2718 HydrophobicContact CB-CG 4.08Å; R2626-E2718 WeakPolarHBondContact CD-OE1 3.48Å; R2626-E2718 IonicContact NE-OE1 2.85Å; R2626-M2901 HydrophobicContact CG-SD 4.47Å; R2626-M2901 PolarHBondContact NH1-SD 3.46Å |
| 2627 | S | 92 | Very high | 90.5 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 38% | 0.378 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | -176.7 | 72.2 | 0 | 0 | 0 | 0 | 111.3 | P2624 F2625 R2631 | P2624-S2627 WeakPolarHBondContact CD-OG 3.39Å; P2624-S2627 WeakPolarHBondContact O-CB 3.18Å; P2624-S2627 PolarHBondContact O-N 2.72Å; P2624-S2627 PolarHBondContact O-OG 2.93Å; F2625-S2627 VanDerWaalsContact C-N 3.3Å; F2625-S2627 PolarHBondContact O-N 3.37Å; S2627-R2631 WeakPolarHBondContact O-CB 3.4Å; S2627-R2631 PolarHBondContact O-N 3.2Å |
| 2628 | I | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -54.5 | 176.2 | -68 | 165.7 | 0 | 0 | 0 | 110 | Q2623 P2624 F2625 T2630 R2631 L2632 F2675 W2678 F2722 | Q2623-I2628 HydrophobicContact CB-CD1 3.91Å; Q2623-I2628 HydrophobicContact CB-CG1 3.87Å; P2624-I2628 PolarHBondContact O-N 2.63Å; F2625-I2628 PolarHBondContact O-N 2.98Å; I2628-T2630 VanDerWaalsContact C-N 3.35Å; I2628-T2630 PolarHBondContact O-N 2.99Å; I2628-R2631 WeakPolarHBondContact O-CB 3.42Å; I2628-R2631 PolarHBondContact O-N 3.04Å; I2628-L2632 HydrophobicContact CG2-CD1 3.76Å; I2628-L2632 HydrophobicContact CG2-CG 4.43Å; I2628-L2632 VanDerWaalsContact O-CG 3.32Å; I2628-L2632 WeakPolarHBondContact O-CG 3.4Å; I2628-L2632 PolarHBondContact O-N 3.25Å; I2628-F2675 HydrophobicContact CG2-CD2 4.16Å; I2628-F2675 HydrophobicContact CG2-CE2 4.04Å; I2628-W2678 HydrophobicContact CD1-CD2 4.41Å; I2628-W2678 HydrophobicContact CD1-CZ2 4.16Å; I2628-W2678 HydrophobicContact CG2-CB 3.97Å; I2628-W2678 HydrophobicContact CG2-CD2 4.32Å; I2628-W2678 HydrophobicContact CG2-CG 3.58Å; I2628-F2722 HydrophobicContact CD1-CB 3.86Å; I2628-F2722 HydrophobicContact CD1-CD2 3.76Å; I2628-F2722 HydrophobicContact CD1-CG 4.16Å |
| 2629 | I | 91.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | -176.4 | -68.7 | -65.2 | 0 | 0 | 0 | 111.8 | F2625 R2631 L2632 Y2633 V2674 F2675 L2904 | F2625-I2629 HydrophobicContact CD2-CD1 4.35Å; F2625-I2629 HydrophobicContact CD2-CG1 3.77Å; F2625-I2629 HydrophobicContact CE1-CG1 4.21Å; F2625-I2629 HydrophobicContact CE2-CD1 3.57Å; F2625-I2629 HydrophobicContact CE2-CG1 3.42Å; F2625-I2629 VanDerWaalsContact CE2-CG1 3.42Å; F2625-I2629 HydrophobicContact CG-CG1 4.35Å; F2625-I2629 HydrophobicContact CZ-CD1 3.81Å; F2625-I2629 HydrophobicContact CZ-CG1 3.66Å; F2625-I2629 WeakPolarHBondContact O-CG1 3.25Å; F2625-I2629 PolarHBondContact O-N 3.35Å; I2629-R2631 VanDerWaalsContact C-N 3.3Å; I2629-R2631 PolarHBondContact O-N 2.62Å; I2629-L2632 HydrophobicContact CD1-CD1 4.44Å; I2629-L2632 PolarHBondContact O-N 3.18Å; I2629-Y2633 HydrophobicContact CG2-CD2 3.46Å; I2629-Y2633 VanDerWaalsContact CG2-CD2 3.46Å; I2629-Y2633 HydrophobicContact CG2-CE2 3.24Å; I2629-Y2633 VanDerWaalsContact O-CD2 3.26Å; I2629-Y2633 WeakPolarHBondContact O-CD2 3.49Å; I2629-Y2633 PolarHBondContact O-N 3.38Å; I2629-V2674 HydrophobicContact CD1-CG2 3.92Å; I2629-V2674 HydrophobicContact CG2-CG2 4.48Å; I2629-F2675 HydrophobicContact CD1-CB 3.8Å; I2629-F2675 HydrophobicContact CD1-CD2 3.92Å; I2629-F2675 HydrophobicContact CD1-CG 4.12Å; I2629-L2904 HydrophobicContact CB-CD1 4.33Å; I2629-L2904 HydrophobicContact CG1-CD1 4.36Å; I2629-L2904 HydrophobicContact CG2-CD1 3.83Å; I2629-L2904 HydrophobicContact CG2-CD2 3.63Å; I2629-L2904 HydrophobicContact CG2-CG 4.35Å |
| 2630 | T | 90.8 | Very high | 89.1 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 23% | 0.233 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 178 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | R2626 I2628 N2634 | R2626-T2630 VanDerWaalsContact O-CB 3.31Å; R2626-T2630 WeakPolarHBondContact O-CB 3.5Å; R2626-T2630 PolarHBondContact O-N 3.26Å; R2626-T2630 PolarHBondContact O-OG1 3.17Å; I2628-T2630 VanDerWaalsContact C-N 3.35Å; I2628-T2630 PolarHBondContact O-N 2.99Å; T2630-N2634 PolarHBondContact O-N 3.09Å; T2630-N2634 VanDerWaalsContact O-N 3.14Å; T2630-N2634 PolarHBondContact O-ND2 3.09Å; T2630-N2634 PolarHBondContact O-OD1 3.48Å |
| 2631 | R | 90.7 | Very high | 88.9 | Confident | 85 Ų | 85 | 53.8 Ų | 53.8 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 174.3 | 177.3 | 174.9 | 67.5 | 92 | -9.8 | 111.6 | S2627 I2628 I2629 Y2633 N2634 E2635 | S2627-R2631 WeakPolarHBondContact O-CB 3.4Å; S2627-R2631 PolarHBondContact O-N 3.2Å; I2628-R2631 WeakPolarHBondContact O-CB 3.42Å; I2628-R2631 PolarHBondContact O-N 3.04Å; I2629-R2631 VanDerWaalsContact C-N 3.3Å; I2629-R2631 PolarHBondContact O-N 2.62Å; R2631-Y2633 VanDerWaalsContact C-N 3.35Å; R2631-Y2633 PolarHBondContact O-N 3.19Å; R2631-N2634 WeakPolarHBondContact O-CB 3.35Å; R2631-N2634 PolarHBondContact O-N 3.27Å; R2631-N2634 VanDerWaalsContact O-N 3.13Å; R2631-E2635 VanDerWaalsContact CG-OE1 3.23Å; R2631-E2635 WeakPolarHBondContact CG-OE1 3.36Å; R2631-E2635 IonicContact CZ-OE1 2.7Å; R2631-E2635 IonicContact NH1-OE1 3.56Å; R2631-E2635 PolarHBondContact NH1-OE1 3.34Å; R2631-E2635 IonicContact NH1-OE2 3.48Å; R2631-E2635 WeakPolarHBondContact O-CG 3.27Å; R2631-E2635 PolarHBondContact O-N 3.07Å |
| 2632 | L | 89.8 | Confident | 88.5 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -38.9 | -178.6 | -64.4 | 166.8 | 0 | 0 | 0 | 112.7 | I2628 I2629 N2634 E2635 I2636 V2674 N2677 W2678 | I2628-L2632 HydrophobicContact CG2-CD1 3.76Å; I2628-L2632 HydrophobicContact CG2-CG 4.43Å; I2628-L2632 VanDerWaalsContact O-CG 3.32Å; I2628-L2632 WeakPolarHBondContact O-CG 3.4Å; I2628-L2632 PolarHBondContact O-N 3.25Å; I2629-L2632 HydrophobicContact CD1-CD1 4.44Å; I2629-L2632 PolarHBondContact O-N 3.18Å; L2632-N2634 VanDerWaalsContact C-N 3.33Å; L2632-E2635 PolarHBondContact O-N 3.15Å; L2632-I2636 WeakPolarHBondContact O-CG1 3.31Å; L2632-I2636 PolarHBondContact O-N 3.01Å; L2632-I2636 VanDerWaalsContact O-N 3.12Å; L2632-V2674 HydrophobicContact CB-CB 4.07Å; L2632-V2674 HydrophobicContact CB-CG2 3.94Å; L2632-V2674 HydrophobicContact CD1-CG2 4.26Å; L2632-N2677 HydrophobicContact CD2-CB 4.24Å; L2632-W2678 HydrophobicContact CD1-CB 3.96Å |
| 2633 | Y | 89.2 | Confident | 88.1 | Confident | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 174.9 | -83.3 | -52 | 0 | 0 | 0 | 112.9 | I2629 R2631 I2636 G2637 K2638 I2640 F2671 P2672 V2674 L2904 | I2629-Y2633 HydrophobicContact CG2-CD2 3.46Å; I2629-Y2633 VanDerWaalsContact CG2-CD2 3.46Å; I2629-Y2633 HydrophobicContact CG2-CE2 3.24Å; I2629-Y2633 VanDerWaalsContact O-CD2 3.26Å; I2629-Y2633 WeakPolarHBondContact O-CD2 3.49Å; I2629-Y2633 PolarHBondContact O-N 3.38Å; R2631-Y2633 VanDerWaalsContact C-N 3.35Å; R2631-Y2633 PolarHBondContact O-N 3.19Å; Y2633-I2636 PolarHBondContact O-N 3.48Å; Y2633-G2637 PolarHBondContact O-N 2.92Å; Y2633-K2638 WeakPolarHBondContact CB-O 3.44Å; Y2633-K2638 CarbonylContact O-C 3.56Å; Y2633-K2638 PolarHBondContact O-N 3.45Å; Y2633-I2640 HydrophobicContact CD2-CD1 3.77Å; Y2633-I2640 HydrophobicContact CD2-CG1 3.68Å; Y2633-I2640 HydrophobicContact CE2-CD1 4.19Å; Y2633-I2640 HydrophobicContact CE2-CG1 4.25Å; Y2633-I2640 HydrophobicContact CG-CG1 4.27Å; Y2633-F2671 HydrophobicContact CE2-CD1 4.24Å; Y2633-F2671 WeakPolarHBondContact OH-CB 3.48Å; Y2633-P2672 HydrophobicContact CD1-CG 4.44Å; Y2633-P2672 HydrophobicContact CE1-CG 3.86Å; Y2633-P2672 WeakPolarHBondContact CE1-O 3.45Å; Y2633-P2672 PolarHBondContact OH-O 2.99Å; Y2633-V2674 HydrophobicContact CD1-CG1 3.9Å; Y2633-V2674 HydrophobicContact CD1-CG2 4.36Å; Y2633-V2674 HydrophobicContact CD2-CG2 4.44Å; Y2633-V2674 HydrophobicContact CE1-CG1 3.64Å; Y2633-V2674 HydrophobicContact CE1-CG2 4.03Å; Y2633-V2674 HydrophobicContact CE2-CG2 4.18Å; Y2633-L2904 HydrophobicContact CE2-CD2 3.75Å |
| 2634 | N | 88.1 | Confident | 87.6 | Confident | 89 Ų | 89 | 56.1 Ų | 56.1 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 174.2 | -66.4 | -17.5 | 0 | 0 | 0 | 111.1 | T2630 R2631 L2632 I2636 G2637 P2639 | T2630-N2634 PolarHBondContact O-N 3.09Å; T2630-N2634 VanDerWaalsContact O-N 3.14Å; T2630-N2634 PolarHBondContact O-ND2 3.09Å; T2630-N2634 PolarHBondContact O-OD1 3.48Å; R2631-N2634 WeakPolarHBondContact O-CB 3.35Å; R2631-N2634 PolarHBondContact O-N 3.27Å; R2631-N2634 VanDerWaalsContact O-N 3.13Å; L2632-N2634 VanDerWaalsContact C-N 3.33Å; N2634-I2636 VanDerWaalsContact C-N 3.3Å; N2634-I2636 PolarHBondContact O-N 3.46Å; N2634-G2637 PolarHBondContact O-N 3.05Å; N2634-P2639 VanDerWaalsContact OD1-CB 3.28Å; N2634-P2639 WeakPolarHBondContact OD1-CB 3.28Å |
| 2635 | E | 83.4 | Confident | 87.1 | Confident | 115 Ų | 115 | 54.2 Ų | 54.2 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 177.4 | -71.8 | 169.1 | -169.2 | 0 | 0 | 112.5 | R2631 L2632 G2637 | R2631-E2635 VanDerWaalsContact CG-OE1 3.23Å; R2631-E2635 WeakPolarHBondContact CG-OE1 3.36Å; R2631-E2635 IonicContact CZ-OE1 2.7Å; R2631-E2635 IonicContact NH1-OE1 3.56Å; R2631-E2635 PolarHBondContact NH1-OE1 3.34Å; R2631-E2635 IonicContact NH1-OE2 3.48Å; R2631-E2635 WeakPolarHBondContact O-CG 3.27Å; R2631-E2635 PolarHBondContact O-N 3.07Å; L2632-E2635 PolarHBondContact O-N 3.15Å; E2635-G2637 PolarHBondContact O-N 3.17Å |
| 2636 | I | 83 | Confident | 86.7 | Confident | 82 Ų | 82 | 56.6 Ų | 56.6 | 42% | 0.421 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -2.5 | 176.7 | -63.5 | 161.3 | 0 | 0 | 0 | 112 | L2632 Y2633 N2634 K2638 V2674 | L2632-I2636 WeakPolarHBondContact O-CG1 3.31Å; L2632-I2636 PolarHBondContact O-N 3.01Å; L2632-I2636 VanDerWaalsContact O-N 3.12Å; Y2633-I2636 PolarHBondContact O-N 3.48Å; N2634-I2636 VanDerWaalsContact C-N 3.3Å; N2634-I2636 PolarHBondContact O-N 3.46Å; I2636-K2638 VanDerWaalsContact C-N 3.33Å; I2636-K2638 PolarHBondContact O-N 3.25Å; I2636-V2674 HydrophobicContact CD1-CB 3.99Å; I2636-V2674 HydrophobicContact CD1-CG1 3.31Å |
| 2637 | G | 81.8 | Confident | 86.4 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 18 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y2633 N2634 E2635 P2639 | Y2633-G2637 PolarHBondContact O-N 2.92Å; N2634-G2637 PolarHBondContact O-N 3.05Å; E2635-G2637 PolarHBondContact O-N 3.17Å; G2637-P2639 WeakPolarHBondContact O-CD 3.01Å |
| 2638 | K | 83.8 | Confident | 86 | Confident | 123 Ų | 123 | 62.6 Ų | 62.6 | 54% | 0.535 | 33% | 0.328 | S | S | . | . | trans | -120 | 65 | 176.6 | -69.5 | -174.1 | 177.4 | -179.3 | 0 | 111 | Y2633 I2636 P2672 | Y2633-K2638 WeakPolarHBondContact CB-O 3.44Å; Y2633-K2638 CarbonylContact O-C 3.56Å; Y2633-K2638 PolarHBondContact O-N 3.45Å; I2636-K2638 VanDerWaalsContact C-N 3.33Å; I2636-K2638 PolarHBondContact O-N 3.25Å; K2638-P2672 HydrophobicContact CD-CG 4.19Å | ||
| 2639 | P | 82.5 | Confident | 85.5 | Confident | 82 Ų | 82 | 63 Ų | 63 | 53% | 0.532 | 33% | 0.332 | S | S | . | . | trans | -59 | 144.5 | -178.8 | 26.5 | -35.5 | 0 | 0 | 0 | 111.7 | N2634 G2637 N2641 | N2634-P2639 VanDerWaalsContact OD1-CB 3.28Å; N2634-P2639 WeakPolarHBondContact OD1-CB 3.28Å; G2637-P2639 WeakPolarHBondContact O-CD 3.01Å; P2639-N2641 PolarHBondContact O-N 3.4Å | ||
| 2640 | I | 82.2 | Confident | 85 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | trans | -65.7 | 110 | -179.6 | -58.4 | 175.4 | 0 | 0 | 0 | 109.8 | Y2633 W2642 F2671 M2901 | Y2633-I2640 HydrophobicContact CD2-CD1 3.77Å; Y2633-I2640 HydrophobicContact CD2-CG1 3.68Å; Y2633-I2640 HydrophobicContact CE2-CD1 4.19Å; Y2633-I2640 HydrophobicContact CE2-CG1 4.25Å; Y2633-I2640 HydrophobicContact CG-CG1 4.27Å; I2640-W2642 HydrophobicContact CB-CZ2 4.17Å; I2640-W2642 HydrophobicContact CD1-CH2 4.22Å; I2640-W2642 HydrophobicContact CD1-CZ2 4.02Å; I2640-W2642 HydrophobicContact CG2-CD2 3.76Å; I2640-W2642 HydrophobicContact CG2-CE3 4.05Å; I2640-W2642 HydrophobicContact CG2-CG 4.29Å; I2640-W2642 HydrophobicContact CG2-CH2 3.97Å; I2640-W2642 HydrophobicContact CG2-CZ2 3.71Å; I2640-W2642 HydrophobicContact CG2-CZ3 4.15Å; I2640-W2642 PolarHBondContact O-N 3.11Å; I2640-F2671 HydrophobicContact CB-CE1 4.48Å; I2640-F2671 HydrophobicContact CG1-CE1 4.18Å; I2640-F2671 HydrophobicContact CG2-CE1 3.98Å; I2640-F2671 HydrophobicContact CG2-CZ 4.36Å; I2640-M2901 HydrophobicContact CD1-CE 4.27Å | ||
| 2641 | N | 85.1 | Confident | 84.8 | Confident | 100 Ų | 100 | 66.8 Ų | 66.8 | 54% | 0.535 | 35% | 0.35 | S | S | . | . | trans | -85.1 | 91.4 | 171 | -171.3 | -27.5 | 0 | 0 | 0 | 110.6 | P2639 A2643 N2644 M2645 | P2639-N2641 PolarHBondContact O-N 3.4Å; N2641-A2643 VanDerWaalsContact C-N 3.26Å; N2641-A2643 PolarHBondContact O-N 3.06Å; N2641-A2643 PolarHBondContact OD1-N 3.31Å; N2641-N2644 HydrophobicContact CB-CB 4.15Å; N2641-N2644 PolarHBondContact O-N 2.68Å; N2641-N2644 PolarHBondContact OD1-N 3.13Å; N2641-N2644 VanDerWaalsContact OD1-N 3.09Å; N2641-M2645 PolarHBondContact O-N 3.44Å | ||
| 2642 | W | 83.5 | Confident | 84.6 | Confident | 87 Ų | 87 | 66.8 Ų | 66.8 | 33% | 0.33 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.8 | -34.2 | -178.9 | -60.6 | 101.3 | 0 | 0 | 0 | 114.2 | I2640 M2645 S2646 M2901 | I2640-W2642 HydrophobicContact CB-CZ2 4.17Å; I2640-W2642 HydrophobicContact CD1-CH2 4.22Å; I2640-W2642 HydrophobicContact CD1-CZ2 4.02Å; I2640-W2642 HydrophobicContact CG2-CD2 3.76Å; I2640-W2642 HydrophobicContact CG2-CE3 4.05Å; I2640-W2642 HydrophobicContact CG2-CG 4.29Å; I2640-W2642 HydrophobicContact CG2-CH2 3.97Å; I2640-W2642 HydrophobicContact CG2-CZ2 3.71Å; I2640-W2642 HydrophobicContact CG2-CZ3 4.15Å; I2640-W2642 PolarHBondContact O-N 3.11Å; W2642-M2645 HydrophobicContact CE3-CE 3.8Å; W2642-M2645 HydrophobicContact CE3-SD 4.08Å; W2642-M2645 HydrophobicContact CZ3-CE 4.12Å; W2642-M2645 HydrophobicContact CZ3-SD 4.13Å; W2642-S2646 WeakPolarHBondContact O-CB 3.39Å; W2642-S2646 PolarHBondContact O-N 2.88Å; W2642-S2646 PolarHBondContact O-OG 3.09Å; W2642-M2901 HydrophobicContact CH2-CE 3.43Å; W2642-M2901 VanDerWaalsContact CH2-CE 3.43Å; W2642-M2901 HydrophobicContact CH2-SD 3.96Å; W2642-M2901 HydrophobicContact CZ3-CE 3.78Å; W2642-M2901 HydrophobicContact CZ3-SD 4.27Å |
| 2643 | A | 84.7 | Confident | 84.4 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.1 | -46.3 | 180 | 0 | 0 | 0 | 0 | 0 | 110.7 | N2641 S2646 R2647 | N2641-A2643 VanDerWaalsContact C-N 3.26Å; N2641-A2643 PolarHBondContact O-N 3.06Å; N2641-A2643 PolarHBondContact OD1-N 3.31Å; A2643-S2646 PolarHBondContact O-N 2.79Å; A2643-R2647 WeakPolarHBondContact O-CG 3.22Å; A2643-R2647 PolarHBondContact O-N 3.04Å |
| 2644 | N | 84.5 | Confident | 84.4 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 40% | 0.401 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.6 | -48.6 | 175.9 | -166 | 21.8 | 0 | 0 | 0 | 110.9 | N2641 S2646 R2647 V2648 | N2641-N2644 HydrophobicContact CB-CB 4.15Å; N2641-N2644 PolarHBondContact O-N 2.68Å; N2641-N2644 PolarHBondContact OD1-N 3.13Å; N2641-N2644 VanDerWaalsContact OD1-N 3.09Å; N2644-S2646 VanDerWaalsContact C-N 3.27Å; N2644-S2646 PolarHBondContact O-N 2.91Å; N2644-R2647 WeakPolarHBondContact O-CB 3.45Å; N2644-R2647 PolarHBondContact O-N 3.29Å; N2644-V2648 VanDerWaalsContact O-CG2 3.28Å; N2644-V2648 WeakPolarHBondContact O-CG2 3.33Å; N2644-V2648 PolarHBondContact O-N 3.38Å |
| 2645 | M | 83.7 | Confident | 84.5 | Confident | 7 Ų | 7 | 75.9 Ų | 75.9 | 3% | 0.034 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -53.8 | -42.9 | 177.7 | -176 | -158.2 | 79.2 | 0 | 0 | 112.6 | N2641 W2642 R2647 A2649 W2667 F2671 F2903 | N2641-M2645 PolarHBondContact O-N 3.44Å; W2642-M2645 HydrophobicContact CE3-CE 3.8Å; W2642-M2645 HydrophobicContact CE3-SD 4.08Å; W2642-M2645 HydrophobicContact CZ3-CE 4.12Å; W2642-M2645 HydrophobicContact CZ3-SD 4.13Å; M2645-R2647 VanDerWaalsContact C-N 3.34Å; M2645-A2649 PolarHBondContact O-N 2.95Å; M2645-A2649 VanDerWaalsContact O-N 3.15Å; M2645-W2667 PolarHBondContact O-NE1 3.03Å; M2645-W2667 VanDerWaalsContact O-NE1 3.14Å; M2645-F2671 HydrophobicContact CB-CZ 4.24Å; M2645-F2671 HydrophobicContact CG-CE2 4.06Å; M2645-F2671 HydrophobicContact CG-CZ 3.94Å; M2645-F2671 HydrophobicContact SD-CZ 4.17Å; M2645-F2903 HydrophobicContact CG-CE1 4.37Å; M2645-F2903 HydrophobicContact CG-CZ 4.46Å; M2645-F2903 HydrophobicContact SD-CE1 3.66Å; M2645-F2903 HydrophobicContact SD-CZ 3.46Å; M2645-F2903 WeakPolarHBondContact SD-CZ 3.33Å |
| 2646 | S | 84.8 | Confident | 84.8 | Confident | 50 Ų | 50 | 74 Ų | 74 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.4 | -29.6 | 179.9 | -64.6 | 0 | 0 | 0 | 0 | 113.1 | W2642 A2643 N2644 A2649 | W2642-S2646 WeakPolarHBondContact O-CB 3.39Å; W2642-S2646 PolarHBondContact O-N 2.88Å; W2642-S2646 PolarHBondContact O-OG 3.09Å; A2643-S2646 PolarHBondContact O-N 2.79Å; N2644-S2646 VanDerWaalsContact C-N 3.27Å; N2644-S2646 PolarHBondContact O-N 2.91Å; S2646-A2649 WeakPolarHBondContact O-CB 3.33Å |
| 2647 | R | 85.4 | Confident | 85.2 | Confident | 212 Ų | 212 | 74.1 Ų | 74.1 | 80% | 0.8 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.6 | -37 | 177.7 | -73.9 | 173.7 | -179.8 | -175.3 | -0.1 | 112.6 | A2643 N2644 M2645 | A2643-R2647 WeakPolarHBondContact O-CG 3.22Å; A2643-R2647 PolarHBondContact O-N 3.04Å; N2644-R2647 WeakPolarHBondContact O-CB 3.45Å; N2644-R2647 PolarHBondContact O-N 3.29Å; M2645-R2647 VanDerWaalsContact C-N 3.34Å |
| 2648 | V | 83.8 | Confident | 85.6 | Confident | 34 Ų | 34 | 74 Ų | 74 | 21% | 0.206 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -91.1 | 2.7 | 176.8 | -78.5 | 0 | 0 | 0 | 0 | 113.7 | N2644 K2666 M2670 | N2644-V2648 VanDerWaalsContact O-CG2 3.28Å; N2644-V2648 WeakPolarHBondContact O-CG2 3.33Å; N2644-V2648 PolarHBondContact O-N 3.38Å; V2648-K2666 HydrophobicContact CB-CB 4.28Å; V2648-K2666 HydrophobicContact CB-CD 4.3Å; V2648-K2666 HydrophobicContact CG1-CB 4.45Å; V2648-K2666 HydrophobicContact CG1-CD 3.92Å; V2648-M2670 HydrophobicContact CG2-CE 3.52Å; V2648-M2670 HydrophobicContact CG2-SD 4.35Å |
| 2649 | A | 82.5 | Confident | 85.9 | Confident | 10 Ų | 10 | 69 Ų | 69 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 144.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M2645 S2646 W2667 K2898 | M2645-A2649 PolarHBondContact O-N 2.95Å; M2645-A2649 VanDerWaalsContact O-N 3.15Å; S2646-A2649 WeakPolarHBondContact O-CB 3.33Å; A2649-W2667 HydrophobicContact CB-CH2 4.35Å; A2649-W2667 HydrophobicContact CB-CZ2 3.48Å; A2649-W2667 VanDerWaalsContact CB-CZ2 3.48Å; A2649-K2898 HydrophobicContact CB-CD 4.33Å |
| 2650 | P | 82.7 | Confident | 86.2 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 8% | 0.078 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 143.7 | 167.1 | -8.7 | 22.6 | 0 | 0 | 0 | 111.5 | K2659 K2662 W2667 | P2650-K2659 HydrophobicContact CB-CB 4.19Å; P2650-K2659 HydrophobicContact CB-CG 3.77Å; P2650-K2662 HydrophobicContact CB-CD 4.2Å; P2650-K2662 HydrophobicContact CG-CB 4.14Å; P2650-K2662 HydrophobicContact CG-CD 4.36Å; P2650-W2667 HydrophobicContact CG-CZ3 4.49Å |
| 2651 | L | 86.9 | Confident | 86.4 | Confident | 105 Ų | 105 | 72.1 Ų | 72.1 | 55% | 0.55 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 159.2 | 172.9 | -62.1 | 172.7 | 0 | 0 | 0 | 110.4 | E2653 D2654 K2659 | L2651-E2653 PolarHBondContact O-N 3.44Å; L2651-D2654 PolarHBondContact N-OD2 2.55Å; L2651-D2654 WeakPolarHBondContact O-CB 3.39Å; L2651-D2654 PolarHBondContact O-N 3.36Å; L2651-K2659 WeakPolarHBondContact O-CE 3.41Å |
| 2652 | L | 84.6 | Confident | 86.5 | Confident | 85 Ų | 85 | 69.2 Ų | 69.2 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -37.6 | -178.9 | -175.8 | 57.1 | 0 | 0 | 0 | 111.5 | D2654 K2659 W2746 | L2652-D2654 VanDerWaalsContact C-N 3.34Å; L2652-K2659 PolarHBondContact O-NZ 3.05Å; L2652-W2746 VanDerWaalsContact CA-CH2 3.43Å; L2652-W2746 HydrophobicContact CB-CE3 3.81Å; L2652-W2746 HydrophobicContact CB-CH2 3.9Å; L2652-W2746 HydrophobicContact CB-CZ3 3.44Å; L2652-W2746 VanDerWaalsContact CB-CZ3 3.44Å; L2652-W2746 HydrophobicContact CD1-CD2 3.69Å; L2652-W2746 HydrophobicContact CD1-CE3 3.77Å; L2652-W2746 HydrophobicContact CD1-CG 4.21Å; L2652-W2746 HydrophobicContact CD1-CH2 4.28Å; L2652-W2746 HydrophobicContact CD1-CZ2 4.18Å; L2652-W2746 HydrophobicContact CD1-CZ3 4.09Å; L2652-W2746 HydrophobicContact CD2-CE3 4.4Å; L2652-W2746 HydrophobicContact CG-CE3 4.19Å; L2652-W2746 HydrophobicContact CG-CZ3 4.28Å; L2652-W2746 VanDerWaalsContact N-CH2 3.28Å |
| 2653 | E | 87 | Confident | 86.7 | Confident | 180 Ų | 180 | 65.4 Ų | 65.4 | 84% | 0.841 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14.3 | -177.6 | -65.3 | 156.9 | -164.2 | 0 | 0 | 113.3 | L2651 | L2651-E2653 PolarHBondContact O-N 3.44Š|
| 2654 | D | 88 | Confident | 86.7 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -61.4 | 139.3 | -178.9 | -73.6 | -17.3 | 0 | 0 | 0 | 110.6 | L2651 L2652 V2658 K2659 K2662 | L2651-D2654 PolarHBondContact N-OD2 2.55Å; L2651-D2654 WeakPolarHBondContact O-CB 3.39Å; L2651-D2654 PolarHBondContact O-N 3.36Å; L2652-D2654 VanDerWaalsContact C-N 3.34Å; D2654-V2658 HydrophobicContact CB-CB 4.46Å; D2654-V2658 HydrophobicContact CB-CG1 4.27Å; D2654-K2659 HydrophobicContact CB-CG 3.86Å; D2654-K2659 WeakPolarHBondContact O-CE 3.3Å; D2654-K2659 PolarHBondContact O-NZ 3.01Å; D2654-K2662 IonicContact OD2-NZ 2.72Å; D2654-K2662 PolarHBondContact OD2-NZ 3.44Å |
| 2655 | P | 91.7 | Very high | 86.8 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | trans | -65.1 | 155.4 | 173.7 | 27.4 | -33.3 | 0 | 0 | 0 | 111.1 | S2657 V2658 K2659 | P2655-S2657 VanDerWaalsContact C-N 3.28Å; P2655-S2657 PolarHBondContact O-N 2.9Å; P2655-V2658 HydrophobicContact CG-CB 4.07Å; P2655-V2658 HydrophobicContact CG-CG2 3.7Å; P2655-V2658 PolarHBondContact O-N 2.86Å; P2655-K2659 PolarHBondContact O-N 3.12Å | ||
| 2656 | L | 89.5 | Confident | 86.8 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 39% | 0.387 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.2 | -41.1 | -174.3 | -175.7 | 67.3 | 0 | 0 | 0 | 112.8 | V2658 K2659 R2660 D2891 Q2895 | L2656-V2658 VanDerWaalsContact C-N 3.33Å; L2656-V2658 PolarHBondContact O-N 3.47Å; L2656-K2659 PolarHBondContact O-N 3.3Å; L2656-R2660 WeakPolarHBondContact O-CB 3.49Å; L2656-R2660 PolarHBondContact O-N 2.72Å; L2656-D2891 HydrophobicContact CD1-CB 4.34Å; L2656-D2891 WeakPolarHBondContact CD1-O 3.24Å; L2656-D2891 HydrophobicContact CD2-CB 4.33Å; L2656-Q2895 HydrophobicContact CD1-CG 3.7Å |
| 2657 | S | 90.1 | Very high | 86.7 | Confident | 86 Ų | 86 | 68.5 Ų | 68.5 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.6 | -41.6 | 178.4 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | P2655 R2660 D2661 | P2655-S2657 VanDerWaalsContact C-N 3.28Å; P2655-S2657 PolarHBondContact O-N 2.9Å; S2657-R2660 PolarHBondContact O-N 3.09Å; S2657-D2661 WeakPolarHBondContact O-CB 3.31Å; S2657-D2661 PolarHBondContact O-N 2.9Å |
| 2658 | V | 90.5 | Very high | 86.6 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 111 | D2654 P2655 L2656 R2660 D2661 K2662 | D2654-V2658 HydrophobicContact CB-CB 4.46Å; D2654-V2658 HydrophobicContact CB-CG1 4.27Å; P2655-V2658 HydrophobicContact CG-CB 4.07Å; P2655-V2658 HydrophobicContact CG-CG2 3.7Å; P2655-V2658 PolarHBondContact O-N 2.86Å; L2656-V2658 VanDerWaalsContact C-N 3.33Å; L2656-V2658 PolarHBondContact O-N 3.47Å; V2658-R2660 VanDerWaalsContact C-N 3.33Å; V2658-R2660 PolarHBondContact O-N 3.47Å; V2658-D2661 PolarHBondContact O-N 3.16Å; V2658-K2662 HydrophobicContact CG1-CD 4.19Å; V2658-K2662 HydrophobicContact CG1-CG 4.47Å; V2658-K2662 WeakPolarHBondContact O-CB 3.34Å; V2658-K2662 WeakPolarHBondContact O-CG 3.38Å; V2658-K2662 PolarHBondContact O-N 3.41Å |
| 2659 | K | 90 | Very high | 86.5 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 8% | 0.083 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 174.4 | -68.4 | 178.3 | 168.5 | 146.8 | 0 | 111.1 | P2650 L2651 L2652 D2654 P2655 L2656 Y2663 C2894 Q2895 | P2650-K2659 HydrophobicContact CB-CB 4.19Å; P2650-K2659 HydrophobicContact CB-CG 3.77Å; L2651-K2659 WeakPolarHBondContact O-CE 3.41Å; L2652-K2659 PolarHBondContact O-NZ 3.05Å; D2654-K2659 HydrophobicContact CB-CG 3.86Å; D2654-K2659 WeakPolarHBondContact O-CE 3.3Å; D2654-K2659 PolarHBondContact O-NZ 3.01Å; P2655-K2659 PolarHBondContact O-N 3.12Å; L2656-K2659 PolarHBondContact O-N 3.3Å; K2659-Y2663 VanDerWaalsContact O-CB 3.27Å; K2659-Y2663 WeakPolarHBondContact O-CB 3.13Å; K2659-Y2663 PolarHBondContact O-N 3.21Å; K2659-C2894 HydrophobicContact CB-CB 4.28Å; K2659-Q2895 HydrophobicContact CD-CG 4.27Å |
| 2660 | R | 88.3 | Confident | 86.4 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 33% | 0.332 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 177.5 | -174 | -174.2 | -178.8 | 131.8 | -6.2 | 111.8 | L2656 S2657 V2658 Y2663 L2664 V2890 D2891 | L2656-R2660 WeakPolarHBondContact O-CB 3.49Å; L2656-R2660 PolarHBondContact O-N 2.72Å; S2657-R2660 PolarHBondContact O-N 3.09Å; V2658-R2660 VanDerWaalsContact C-N 3.33Å; V2658-R2660 PolarHBondContact O-N 3.47Å; R2660-Y2663 PolarHBondContact O-N 3.4Å; R2660-L2664 HydrophobicContact CG-CD1 3.88Å; R2660-L2664 HydrophobicContact CG-CG 4.44Å; R2660-L2664 WeakPolarHBondContact O-CB 3.13Å; R2660-L2664 WeakPolarHBondContact O-CG 3.28Å; R2660-L2664 PolarHBondContact O-N 2.86Å; R2660-V2890 HydrophobicContact CG-CG1 4.27Å; R2660-D2891 WeakPolarHBondContact CD-OD1 3.46Å; R2660-D2891 IonicContact CZ-OD1 2.75Å; R2660-D2891 IonicContact NE-OD1 3.02Å; R2660-D2891 IonicContact NH1-OD1 3.4Å; R2660-D2891 PolarHBondContact NH1-OD1 3.35Å; R2660-D2891 IonicContact NH1-OD2 3.38Å; R2660-D2891 PolarHBondContact NH1-OD2 2.87Å |
| 2661 | D | 88 | Confident | 86.5 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.4 | -50.5 | 177.6 | 176.2 | 66 | 0 | 0 | 0 | 111.8 | S2657 V2658 Y2663 L2664 N2665 | S2657-D2661 WeakPolarHBondContact O-CB 3.31Å; S2657-D2661 PolarHBondContact O-N 2.9Å; V2658-D2661 PolarHBondContact O-N 3.16Å; D2661-Y2663 VanDerWaalsContact C-N 3.28Å; D2661-Y2663 PolarHBondContact O-N 2.7Å; D2661-L2664 PolarHBondContact O-N 3.28Å; D2661-N2665 WeakPolarHBondContact O-CB 3.41Å; D2661-N2665 PolarHBondContact O-N 2.77Å; D2661-N2665 PolarHBondContact OD1-ND2 3.48Å |
| 2662 | K | 87.6 | Confident | 86.3 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -58.5 | -41.4 | 176.4 | -74 | 178.9 | 179.9 | 178.2 | 0 | 111.8 | P2650 D2654 V2658 K2666 W2667 | P2650-K2662 HydrophobicContact CB-CD 4.2Å; P2650-K2662 HydrophobicContact CG-CB 4.14Å; P2650-K2662 HydrophobicContact CG-CD 4.36Å; D2654-K2662 IonicContact OD2-NZ 2.72Å; D2654-K2662 PolarHBondContact OD2-NZ 3.44Å; V2658-K2662 HydrophobicContact CG1-CD 4.19Å; V2658-K2662 HydrophobicContact CG1-CG 4.47Å; V2658-K2662 WeakPolarHBondContact O-CB 3.34Å; V2658-K2662 WeakPolarHBondContact O-CG 3.38Å; V2658-K2662 PolarHBondContact O-N 3.41Å; K2662-K2666 WeakPolarHBondContact O-CA 3.44Å; K2662-K2666 VanDerWaalsContact O-CB 3.3Å; K2662-K2666 WeakPolarHBondContact O-CB 3.02Å; K2662-K2666 PolarHBondContact O-N 2.93Å; K2662-K2666 VanDerWaalsContact O-N 3.16Å; K2662-W2667 PolarHBondContact O-N 3.01Å |
| 2663 | Y | 86.4 | Confident | 86.4 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -63 | -55.5 | 178.5 | -178.5 | -97.6 | 0 | 0 | 0 | 111.5 | K2659 R2660 D2661 W2667 L2668 V2890 C2894 P2902 F2903 | K2659-Y2663 VanDerWaalsContact O-CB 3.27Å; K2659-Y2663 WeakPolarHBondContact O-CB 3.13Å; K2659-Y2663 PolarHBondContact O-N 3.21Å; R2660-Y2663 PolarHBondContact O-N 3.4Å; D2661-Y2663 VanDerWaalsContact C-N 3.28Å; D2661-Y2663 PolarHBondContact O-N 2.7Å; Y2663-W2667 AromaticContact CD2-CE3 3.89Å; Y2663-W2667 HydrophobicContact CD2-CE3 3.89Å; Y2663-W2667 HydrophobicContact CD2-CZ3 4.48Å; Y2663-W2667 HydrophobicContact CE2-CE3 4.49Å; Y2663-W2667 PolarHBondContact O-N 3.31Å; Y2663-L2668 HydrophobicContact CD1-CD1 4.2Å; Y2663-L2668 HydrophobicContact CD1-CG 4.27Å; Y2663-L2668 HydrophobicContact CE1-CD1 3.84Å; Y2663-L2668 HydrophobicContact CE1-CD2 3.98Å; Y2663-L2668 HydrophobicContact CE1-CG 3.98Å; Y2663-L2668 HydrophobicContact CE2-CD2 4.42Å; Y2663-L2668 WeakPolarHBondContact O-CG 3.45Å; Y2663-L2668 PolarHBondContact O-N 3.33Å; Y2663-V2890 HydrophobicContact CD1-CG1 3.9Å; Y2663-V2890 HydrophobicContact CE1-CG1 4.14Å; Y2663-C2894 HydrophobicContact CD1-CB 4.39Å; Y2663-C2894 HydrophobicContact CD2-CB 4.23Å; Y2663-C2894 HydrophobicContact CG-CB 3.83Å; Y2663-P2902 HydrophobicContact CE2-CB 4.08Å; Y2663-P2902 HydrophobicContact CE2-CG 4.19Å; Y2663-P2902 PolarHBondContact OH-O 3.15Å; Y2663-F2903 HydrophobicContact CE2-CB 4.47Å |
| 2664 | L | 85.4 | Confident | 86.5 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -69.9 | -48.2 | -174.7 | -70.6 | 177.1 | 0 | 0 | 0 | 113 | R2660 D2661 L2668 P2669 V2890 | R2660-L2664 HydrophobicContact CG-CD1 3.88Å; R2660-L2664 HydrophobicContact CG-CG 4.44Å; R2660-L2664 WeakPolarHBondContact O-CB 3.13Å; R2660-L2664 WeakPolarHBondContact O-CG 3.28Å; R2660-L2664 PolarHBondContact O-N 2.86Å; D2661-L2664 PolarHBondContact O-N 3.28Å; L2664-L2668 HydrophobicContact CD2-CD1 3.76Å; L2664-P2669 WeakPolarHBondContact O-CD 3.18Å; L2664-V2890 HydrophobicContact CD1-CG1 4.24Å; L2664-V2890 HydrophobicContact CD2-CG1 3.8Å; L2664-V2890 HydrophobicContact CG-CG1 4Å |
| 2665 | N | 85.2 | Confident | 86.6 | Confident | 98 Ų | 98 | 47.4 Ų | 47.4 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -94.5 | -19.1 | -168 | -65.8 | -30.2 | 0 | 0 | 0 | 113.4 | D2661 | D2661-N2665 WeakPolarHBondContact O-CB 3.41Å; D2661-N2665 PolarHBondContact O-N 2.77Å; D2661-N2665 PolarHBondContact OD1-ND2 3.48Å |
| 2666 | K | 84.4 | Confident | 86.4 | Confident | 97 Ų | 97 | 47.7 Ų | 47.7 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -114.7 | -52.9 | -179.2 | -52.3 | -171.8 | -178.6 | -178.4 | 0 | 112.8 | V2648 K2662 M2670 | V2648-K2666 HydrophobicContact CB-CB 4.28Å; V2648-K2666 HydrophobicContact CB-CD 4.3Å; V2648-K2666 HydrophobicContact CG1-CB 4.45Å; V2648-K2666 HydrophobicContact CG1-CD 3.92Å; K2662-K2666 WeakPolarHBondContact O-CA 3.44Å; K2662-K2666 VanDerWaalsContact O-CB 3.3Å; K2662-K2666 WeakPolarHBondContact O-CB 3.02Å; K2662-K2666 PolarHBondContact O-N 2.93Å; K2662-K2666 VanDerWaalsContact O-N 3.16Å; K2666-M2670 VanDerWaalsContact O-CE 3.29Å; K2666-M2670 WeakPolarHBondContact O-CE 3.46Å; K2666-M2670 WeakPolarHBondContact O-CG 3.4Å |
| 2667 | W | 82.7 | Confident | 86.4 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -72.5 | -53.1 | -176.6 | -91.3 | 6.4 | 0 | 0 | 0 | 113.4 | M2645 A2649 P2650 K2662 Y2663 M2670 F2671 K2898 P2902 F2903 | M2645-W2667 PolarHBondContact O-NE1 3.03Å; M2645-W2667 VanDerWaalsContact O-NE1 3.14Å; A2649-W2667 HydrophobicContact CB-CH2 4.35Å; A2649-W2667 HydrophobicContact CB-CZ2 3.48Å; A2649-W2667 VanDerWaalsContact CB-CZ2 3.48Å; P2650-W2667 HydrophobicContact CG-CZ3 4.49Å; K2662-W2667 PolarHBondContact O-N 3.01Å; Y2663-W2667 AromaticContact CD2-CE3 3.89Å; Y2663-W2667 HydrophobicContact CD2-CE3 3.89Å; Y2663-W2667 HydrophobicContact CD2-CZ3 4.48Å; Y2663-W2667 HydrophobicContact CE2-CE3 4.49Å; Y2663-W2667 PolarHBondContact O-N 3.31Å; W2667-M2670 HydrophobicContact CG-CE 4.4Å; W2667-M2670 PolarHBondContact O-N 2.9Å; W2667-M2670 VanDerWaalsContact O-N 3.16Å; W2667-F2671 VanDerWaalsContact O-CD2 3.25Å; W2667-F2671 WeakPolarHBondContact O-CD2 3.49Å; W2667-K2898 HydrophobicContact CH2-CB 3.76Å; W2667-K2898 HydrophobicContact CZ2-CB 3.91Å; W2667-P2902 HydrophobicContact CE3-CG 4.38Å; W2667-P2902 HydrophobicContact CZ3-CG 3.73Å; W2667-F2903 HydrophobicContact CB-CB 4.46Å; W2667-F2903 HydrophobicContact CD2-CD1 4Å; W2667-F2903 AromaticContact CE3-CD1 3.78Å; W2667-F2903 HydrophobicContact CE3-CD1 3.78Å; W2667-F2903 HydrophobicContact CZ3-CD1 4.15Å |
| 2668 | L | 82.6 | Confident | 86.5 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58 | -41.7 | -175.7 | -68.7 | -178.1 | 0 | 0 | 0 | 114 | Y2663 L2664 M2670 F2671 R2756 F2903 | Y2663-L2668 HydrophobicContact CD1-CD1 4.2Å; Y2663-L2668 HydrophobicContact CD1-CG 4.27Å; Y2663-L2668 HydrophobicContact CE1-CD1 3.84Å; Y2663-L2668 HydrophobicContact CE1-CD2 3.98Å; Y2663-L2668 HydrophobicContact CE1-CG 3.98Å; Y2663-L2668 HydrophobicContact CE2-CD2 4.42Å; Y2663-L2668 WeakPolarHBondContact O-CG 3.45Å; Y2663-L2668 PolarHBondContact O-N 3.33Å; L2664-L2668 HydrophobicContact CD2-CD1 3.76Å; L2668-M2670 PolarHBondContact O-N 3.44Å; L2668-F2671 PolarHBondContact O-N 2.93Å; L2668-R2756 PolarHBondContact O-NH2 3.2Å; L2668-F2903 HydrophobicContact CD2-CB 4.37Å |
| 2669 | P | 81.7 | Confident | 86.5 | Confident | 62 Ų | 62 | 39.6 Ų | 39.6 | 40% | 0.403 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65 | -25.3 | -180 | -25 | 36.9 | 0 | 0 | 0 | 113.9 | L2664 F2671 | L2664-P2669 WeakPolarHBondContact O-CD 3.18Å; P2669-F2671 VanDerWaalsContact C-N 3.31Å; P2669-F2671 PolarHBondContact O-N 3.33Å |
| 2670 | M | 81.3 | Confident | 86.4 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 29% | 0.286 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.4 | -22.8 | 179.4 | -70.2 | -170.5 | -69.2 | 0 | 0 | 113.6 | V2648 K2666 W2667 L2668 P2672 | V2648-M2670 HydrophobicContact CG2-CE 3.52Å; V2648-M2670 HydrophobicContact CG2-SD 4.35Å; K2666-M2670 VanDerWaalsContact O-CE 3.29Å; K2666-M2670 WeakPolarHBondContact O-CE 3.46Å; K2666-M2670 WeakPolarHBondContact O-CG 3.4Å; W2667-M2670 HydrophobicContact CG-CE 4.4Å; W2667-M2670 PolarHBondContact O-N 2.9Å; W2667-M2670 VanDerWaalsContact O-N 3.16Å; L2668-M2670 PolarHBondContact O-N 3.44Å; M2670-P2672 WeakPolarHBondContact O-CD 3.48Å |
| 2671 | F | 83.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -124.6 | 81 | -164.4 | -68 | -62 | 0 | 0 | 0 | 112.4 | Y2633 I2640 M2645 W2667 L2668 P2669 R2756 F2903 | Y2633-F2671 HydrophobicContact CE2-CD1 4.24Å; Y2633-F2671 WeakPolarHBondContact OH-CB 3.48Å; I2640-F2671 HydrophobicContact CB-CE1 4.48Å; I2640-F2671 HydrophobicContact CG1-CE1 4.18Å; I2640-F2671 HydrophobicContact CG2-CE1 3.98Å; I2640-F2671 HydrophobicContact CG2-CZ 4.36Å; M2645-F2671 HydrophobicContact CB-CZ 4.24Å; M2645-F2671 HydrophobicContact CG-CE2 4.06Å; M2645-F2671 HydrophobicContact CG-CZ 3.94Å; M2645-F2671 HydrophobicContact SD-CZ 4.17Å; W2667-F2671 VanDerWaalsContact O-CD2 3.25Å; W2667-F2671 WeakPolarHBondContact O-CD2 3.49Å; L2668-F2671 PolarHBondContact O-N 2.93Å; P2669-F2671 VanDerWaalsContact C-N 3.31Å; P2669-F2671 PolarHBondContact O-N 3.33Å; F2671-R2756 PolarHBondContact O-NH2 3.28Å; F2671-F2903 HydrophobicContact CB-CD2 3.98Å; F2671-F2903 HydrophobicContact CD1-CD2 4.14Å; F2671-F2903 AromaticContact CD1-CE2 3.98Å; F2671-F2903 HydrophobicContact CD1-CE2 3.98Å; F2671-F2903 HydrophobicContact CD2-CB 4.16Å; F2671-F2903 HydrophobicContact CD2-CD1 4.44Å; F2671-F2903 AromaticContact CD2-CD2 3.21Å; F2671-F2903 HydrophobicContact CD2-CD2 3.21Å; F2671-F2903 AromaticContact CD2-CE2 3.61Å; F2671-F2903 HydrophobicContact CD2-CE2 3.61Å; F2671-F2903 AromaticContact CD2-CG 3.68Å; F2671-F2903 HydrophobicContact CD2-CG 3.68Å; F2671-F2903 HydrophobicContact CD2-CZ 4.37Å; F2671-F2903 HydrophobicContact CE1-CD2 4.47Å; F2671-F2903 AromaticContact CE1-CE2 3.96Å; F2671-F2903 HydrophobicContact CE1-CE2 3.96Å; F2671-F2903 HydrophobicContact CE2-CD1 4.34Å; F2671-F2903 AromaticContact CE2-CD2 3.62Å; F2671-F2903 HydrophobicContact CE2-CD2 3.62Å; F2671-F2903 HydrophobicContact CE2-CE1 4.31Å; F2671-F2903 AromaticContact CE2-CE2 3.57Å; F2671-F2903 HydrophobicContact CE2-CE2 3.57Å; F2671-F2903 HydrophobicContact CE2-CG 4.01Å; F2671-F2903 AromaticContact CE2-CZ 3.94Å; F2671-F2903 HydrophobicContact CE2-CZ 3.94Å; F2671-F2903 AromaticContact CG-CD2 3.51Å; F2671-F2903 HydrophobicContact CG-CD2 3.51Å; F2671-F2903 AromaticContact CG-CE2 3.82Å; F2671-F2903 HydrophobicContact CG-CE2 3.82Å; F2671-F2903 HydrophobicContact CG-CG 4.37Å; F2671-F2903 HydrophobicContact CZ-CD2 4.25Å; F2671-F2903 AromaticContact CZ-CE2 3.76Å; F2671-F2903 HydrophobicContact CZ-CE2 3.76Å; F2671-F2903 HydrophobicContact CZ-CZ 4.07Å |
| 2672 | P | 83.5 | Confident | 86.3 | Confident | 40 Ų | 40 | 36.4 Ų | 36.4 | 26% | 0.26 | 19% | 0.189 | S | C | . | . | trans | -58.9 | 161.2 | -178.7 | 23.1 | -32.6 | 0 | 0 | 0 | 113.3 | Y2633 K2638 M2670 V2674 | Y2633-P2672 HydrophobicContact CD1-CG 4.44Å; Y2633-P2672 HydrophobicContact CE1-CG 3.86Å; Y2633-P2672 WeakPolarHBondContact CE1-O 3.45Å; Y2633-P2672 PolarHBondContact OH-O 2.99Å; K2638-P2672 HydrophobicContact CD-CG 4.19Å; M2670-P2672 WeakPolarHBondContact O-CD 3.48Å; P2672-V2674 HydrophobicContact CG-CG1 4.42Å; P2672-V2674 WeakPolarHBondContact O-CG1 3.3Å; P2672-V2674 PolarHBondContact O-N 3.14Å | ||
| 2673 | L | 86.5 | Confident | 86.3 | Confident | 23 Ų | 23 | 35.3 Ų | 35.3 | 12% | 0.12 | 19% | 0.185 | C | C | . | . | trans | -72.5 | 118.7 | 176.8 | -63.3 | 175.6 | 0 | 0 | 0 | 109.7 | R2756 N2757 H2760 | L2673-R2756 HydrophobicContact CD2-CB 4.12Å; L2673-R2756 HydrophobicContact CD2-CG 3.5Å; L2673-R2756 VanDerWaalsContact CD2-CG 3.5Å; L2673-N2757 WeakPolarHBondContact CA-OD1 3.5Å; L2673-N2757 HydrophobicContact CD2-CB 4.47Å; L2673-H2760 HydrophobicContact CD1-CB 3.95Å; L2673-H2760 WeakPolarHBondContact CD1-CD2 3.47Å; L2673-H2760 HydrophobicContact CD2-CB 4.29Å | ||
| 2674 | V | 88.5 | Confident | 86.1 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | trans | -128.5 | -18.4 | -174.3 | -58.7 | 0 | 0 | 0 | 0 | 113.3 | I2629 L2632 Y2633 I2636 P2672 Y2676 N2677 N2757 | I2629-V2674 HydrophobicContact CD1-CG2 3.92Å; I2629-V2674 HydrophobicContact CG2-CG2 4.48Å; L2632-V2674 HydrophobicContact CB-CB 4.07Å; L2632-V2674 HydrophobicContact CB-CG2 3.94Å; L2632-V2674 HydrophobicContact CD1-CG2 4.26Å; Y2633-V2674 HydrophobicContact CD1-CG1 3.9Å; Y2633-V2674 HydrophobicContact CD1-CG2 4.36Å; Y2633-V2674 HydrophobicContact CD2-CG2 4.44Å; Y2633-V2674 HydrophobicContact CE1-CG1 3.64Å; Y2633-V2674 HydrophobicContact CE1-CG2 4.03Å; Y2633-V2674 HydrophobicContact CE2-CG2 4.18Å; I2636-V2674 HydrophobicContact CD1-CB 3.99Å; I2636-V2674 HydrophobicContact CD1-CG1 3.31Å; P2672-V2674 HydrophobicContact CG-CG1 4.42Å; P2672-V2674 WeakPolarHBondContact O-CG1 3.3Å; P2672-V2674 PolarHBondContact O-N 3.14Å; V2674-Y2676 VanDerWaalsContact C-N 3.3Å; V2674-Y2676 PolarHBondContact O-N 2.78Å; V2674-N2677 WeakPolarHBondContact O-CB 3.21Å; V2674-N2677 PolarHBondContact O-N 2.86Å; V2674-N2757 PolarHBondContact N-OD1 3.06Å | ||
| 2675 | F | 90.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -31.5 | -168.1 | -171.4 | -137.8 | 0 | 0 | 0 | 114.1 | F2625 I2628 I2629 N2677 W2678 F2679 Y2696 F2722 N2757 A2761 | F2625-F2675 HydrophobicContact CD2-CD2 4.22Å; F2625-F2675 AromaticContact CD2-CE2 3.9Å; F2625-F2675 HydrophobicContact CD2-CE2 3.9Å; F2625-F2675 HydrophobicContact CD2-CZ 4.12Å; F2625-F2675 HydrophobicContact CE2-CB 4.46Å; F2625-F2675 AromaticContact CE2-CD1 3.85Å; F2625-F2675 HydrophobicContact CE2-CD1 3.85Å; F2625-F2675 AromaticContact CE2-CD2 3.56Å; F2625-F2675 HydrophobicContact CE2-CD2 3.56Å; F2625-F2675 AromaticContact CE2-CE1 3.93Å; F2625-F2675 HydrophobicContact CE2-CE1 3.93Å; F2625-F2675 AromaticContact CE2-CE2 3.63Å; F2625-F2675 HydrophobicContact CE2-CE2 3.63Å; F2625-F2675 AromaticContact CE2-CG 3.69Å; F2625-F2675 HydrophobicContact CE2-CG 3.69Å; F2625-F2675 AromaticContact CE2-CZ 3.83Å; F2625-F2675 HydrophobicContact CE2-CZ 3.83Å; F2625-F2675 HydrophobicContact CZ-CD1 4.4Å; F2625-F2675 HydrophobicContact CZ-CG 4.36Å; I2628-F2675 HydrophobicContact CG2-CD2 4.16Å; I2628-F2675 HydrophobicContact CG2-CE2 4.04Å; I2629-F2675 HydrophobicContact CD1-CB 3.8Å; I2629-F2675 HydrophobicContact CD1-CD2 3.92Å; I2629-F2675 HydrophobicContact CD1-CG 4.12Å; F2675-N2677 PolarHBondContact O-N 2.87Å; F2675-W2678 HydrophobicContact CD2-CB 4.08Å; F2675-W2678 HydrophobicContact CE2-CB 4.16Å; F2675-W2678 HydrophobicContact CE2-CD2 4.29Å; F2675-W2678 HydrophobicContact CE2-CE3 4.14Å; F2675-W2678 HydrophobicContact CE2-CG 4.32Å; F2675-W2678 HydrophobicContact CZ-CE3 4.38Å; F2675-W2678 WeakPolarHBondContact O-CB 3.48Å; F2675-W2678 PolarHBondContact O-N 3.42Å; F2675-F2679 HydrophobicContact CD1-CE2 4.45Å; F2675-F2679 AromaticContact CE1-CE2 3.94Å; F2675-F2679 HydrophobicContact CE1-CE2 3.94Å; F2675-F2679 AromaticContact CZ-CE2 3.99Å; F2675-F2679 HydrophobicContact CZ-CE2 3.99Å; F2675-F2679 HydrophobicContact CZ-CZ 4.43Å; F2675-Y2696 HydrophobicContact CE1-CE1 4.48Å; F2675-Y2696 HydrophobicContact CE1-CE2 4.34Å; F2675-F2722 HydrophobicContact CE1-CE1 4.03Å; F2675-F2722 HydrophobicContact CE1-CE2 4.39Å; F2675-F2722 AromaticContact CE1-CZ 3.81Å; F2675-F2722 HydrophobicContact CE1-CZ 3.81Å; F2675-F2722 HydrophobicContact CE2-CD2 4.39Å; F2675-F2722 HydrophobicContact CE2-CE2 4.24Å; F2675-F2722 HydrophobicContact CE2-CZ 4.4Å; F2675-F2722 AromaticContact CZ-CD1 3.95Å; F2675-F2722 HydrophobicContact CZ-CD1 3.95Å; F2675-F2722 HydrophobicContact CZ-CD2 4.02Å; F2675-F2722 AromaticContact CZ-CE1 3.57Å; F2675-F2722 HydrophobicContact CZ-CE1 3.57Å; F2675-F2722 AromaticContact CZ-CE2 3.65Å; F2675-F2722 HydrophobicContact CZ-CE2 3.65Å; F2675-F2722 HydrophobicContact CZ-CG 4.15Å; F2675-F2722 AromaticContact CZ-CZ 3.41Å; F2675-F2722 HydrophobicContact CZ-CZ 3.41Å; F2675-F2722 VanDerWaalsContact CZ-CZ 3.41Å; F2675-N2757 HydrophobicContact CB-CB 3.91Å; F2675-N2757 PolarHBondContact N-OD1 2.86Å; F2675-A2761 HydrophobicContact CB-CB 4.25Å; F2675-A2761 HydrophobicContact CD1-CB 3.35Å; F2675-A2761 HydrophobicContact CE1-CB 3.95Å; F2675-A2761 HydrophobicContact CG-CB 4.07Å |
| 2676 | Y | 88.3 | Confident | 85.9 | Confident | 82 Ų | 82 | 33.2 Ų | 33.2 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.1 | -30.7 | 175.7 | 78.5 | -82.6 | 0 | 0 | 0 | 112.7 | V2674 W2678 F2679 L2680 H2760 | V2674-Y2676 VanDerWaalsContact C-N 3.3Å; V2674-Y2676 PolarHBondContact O-N 2.78Å; Y2676-W2678 PolarHBondContact O-N 3.31Å; Y2676-F2679 PolarHBondContact O-N 2.77Å; Y2676-L2680 HydrophobicContact CD2-CD1 3.97Å; Y2676-L2680 HydrophobicContact CE2-CD1 3.99Å; Y2676-L2680 PolarHBondContact O-N 2.72Å; Y2676-H2760 AromaticContact CD1-CE1 3.3Å; Y2676-H2760 WeakPolarHBondContact CD1-CE1 3.48Å; Y2676-H2760 AromaticContact CD1-ND1 3.41Å; Y2676-H2760 WeakPolarHBondContact CD1-ND1 3.27Å; Y2676-H2760 AromaticContact CE1-CE1 3.78Å; Y2676-H2760 AromaticContact CG-CE1 3.71Å; Y2676-H2760 AromaticContact CG-ND1 3.79Å |
| 2677 | N | 88.5 | Confident | 85.8 | Confident | 42 Ų | 42 | 29.1 Ų | 29.1 | 23% | 0.225 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -25.9 | 176.5 | -71.4 | -37.4 | 0 | 0 | 0 | 112.1 | L2632 V2674 F2675 L2680 S2681 | L2632-N2677 HydrophobicContact CD2-CB 4.24Å; V2674-N2677 WeakPolarHBondContact O-CB 3.21Å; V2674-N2677 PolarHBondContact O-N 2.86Å; F2675-N2677 PolarHBondContact O-N 2.87Å; N2677-L2680 PolarHBondContact O-N 2.91Å; N2677-S2681 VanDerWaalsContact O-CB 3.31Å; N2677-S2681 WeakPolarHBondContact O-CB 3.29Å; N2677-S2681 PolarHBondContact O-N 3.18Å; N2677-S2681 PolarHBondContact O-OG 3.01Å |
| 2678 | W | 92 | Very high | 85.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -49.1 | 174.3 | -174.9 | 70 | 0 | 0 | 0 | 111.1 | I2628 L2632 F2675 Y2676 L2680 S2681 T2682 F2683 F2722 | I2628-W2678 HydrophobicContact CD1-CD2 4.41Å; I2628-W2678 HydrophobicContact CD1-CZ2 4.16Å; I2628-W2678 HydrophobicContact CG2-CB 3.97Å; I2628-W2678 HydrophobicContact CG2-CD2 4.32Å; I2628-W2678 HydrophobicContact CG2-CG 3.58Å; L2632-W2678 HydrophobicContact CD1-CB 3.96Å; F2675-W2678 HydrophobicContact CD2-CB 4.08Å; F2675-W2678 HydrophobicContact CE2-CB 4.16Å; F2675-W2678 HydrophobicContact CE2-CD2 4.29Å; F2675-W2678 HydrophobicContact CE2-CE3 4.14Å; F2675-W2678 HydrophobicContact CE2-CG 4.32Å; F2675-W2678 HydrophobicContact CZ-CE3 4.38Å; F2675-W2678 WeakPolarHBondContact O-CB 3.48Å; F2675-W2678 PolarHBondContact O-N 3.42Å; Y2676-W2678 PolarHBondContact O-N 3.31Å; W2678-L2680 VanDerWaalsContact C-N 3.29Å; W2678-L2680 PolarHBondContact O-N 2.8Å; W2678-S2681 WeakPolarHBondContact CA-OG 3.41Å; W2678-S2681 PolarHBondContact O-N 2.8Å; W2678-S2681 VanDerWaalsContact O-N 3.09Å; W2678-S2681 PolarHBondContact O-OG 2.86Å; W2678-T2682 HydrophobicContact CZ2-CG2 4.24Å; W2678-T2682 PolarHBondContact NE1-OG1 2.91Å; W2678-T2682 WeakPolarHBondContact O-CB 3.46Å; W2678-T2682 PolarHBondContact O-N 3.36Å; W2678-T2682 PolarHBondContact O-OG1 3.11Å; W2678-F2683 HydrophobicContact CH2-CE2 4.36Å; W2678-F2683 HydrophobicContact CZ3-CE2 4.14Å; W2678-F2722 HydrophobicContact CH2-CB 3.63Å; W2678-F2722 HydrophobicContact CH2-CG 4.48Å; W2678-F2722 HydrophobicContact CZ2-CB 3.98Å; W2678-F2722 HydrophobicContact CZ3-CB 4.13Å |
| 2679 | F | 91.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 178.9 | -71.8 | -83.7 | 0 | 0 | 0 | 111.6 | F2675 Y2676 F2683 R2693 Y2696 A2761 | F2675-F2679 HydrophobicContact CD1-CE2 4.45Å; F2675-F2679 AromaticContact CE1-CE2 3.94Å; F2675-F2679 HydrophobicContact CE1-CE2 3.94Å; F2675-F2679 AromaticContact CZ-CE2 3.99Å; F2675-F2679 HydrophobicContact CZ-CE2 3.99Å; F2675-F2679 HydrophobicContact CZ-CZ 4.43Å; Y2676-F2679 PolarHBondContact O-N 2.77Å; F2679-F2683 HydrophobicContact CB-CD2 4.44Å; F2679-F2683 AromaticContact CD1-CD2 3.96Å; F2679-F2683 HydrophobicContact CD1-CD2 3.96Å; F2679-F2683 AromaticContact CD1-CE2 3.8Å; F2679-F2683 HydrophobicContact CD1-CE2 3.8Å; F2679-F2683 HydrophobicContact CE1-CE2 4.27Å; F2679-F2683 WeakPolarHBondContact O-CB 3.14Å; F2679-F2683 WeakPolarHBondContact O-CD2 3.19Å; F2679-F2683 PolarHBondContact O-N 2.9Å; F2679-R2693 HydrophobicContact CD1-CB 4.25Å; F2679-Y2696 HydrophobicContact CE1-CD1 4.39Å; F2679-Y2696 HydrophobicContact CE1-CG 4.18Å; F2679-Y2696 AromaticContact CE2-CD1 3.97Å; F2679-Y2696 HydrophobicContact CE2-CD1 3.97Å; F2679-Y2696 HydrophobicContact CE2-CE1 4.39Å; F2679-Y2696 HydrophobicContact CE2-CG 4.29Å; F2679-Y2696 VanDerWaalsContact CZ-CB 3.49Å; F2679-Y2696 AromaticContact CZ-CD1 3.54Å; F2679-Y2696 HydrophobicContact CZ-CD1 3.54Å; F2679-Y2696 HydrophobicContact CZ-CD2 4.21Å; F2679-Y2696 HydrophobicContact CZ-CE1 4.32Å; F2679-Y2696 AromaticContact CZ-CG 3.46Å; F2679-Y2696 HydrophobicContact CZ-CG 3.46Å; F2679-Y2696 VanDerWaalsContact CZ-CG 3.46Å; F2679-A2761 HydrophobicContact CD2-CB 4.26Å; F2679-A2761 HydrophobicContact CE2-CB 3.94Å |
| 2680 | L | 87.9 | Confident | 86.6 | Confident | 32 Ų | 32 | 28.3 Ų | 28.3 | 17% | 0.168 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.5 | -42.3 | 175.2 | -60.6 | 175.9 | 0 | 0 | 0 | 111.5 | Y2676 N2677 W2678 | Y2676-L2680 HydrophobicContact CD2-CD1 3.97Å; Y2676-L2680 HydrophobicContact CE2-CD1 3.99Å; Y2676-L2680 PolarHBondContact O-N 2.72Å; N2677-L2680 PolarHBondContact O-N 2.91Å; W2678-L2680 VanDerWaalsContact C-N 3.29Å; W2678-L2680 PolarHBondContact O-N 2.8Å |
| 2681 | S | 86.3 | Confident | 86.9 | Confident | 36 Ų | 36 | 27.6 Ų | 27.6 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -68.9 | -47 | -176.9 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | N2677 W2678 | N2677-S2681 VanDerWaalsContact O-CB 3.31Å; N2677-S2681 WeakPolarHBondContact O-CB 3.29Å; N2677-S2681 PolarHBondContact O-N 3.18Å; N2677-S2681 PolarHBondContact O-OG 3.01Å; W2678-S2681 WeakPolarHBondContact CA-OG 3.41Å; W2678-S2681 PolarHBondContact O-N 2.8Å; W2678-S2681 VanDerWaalsContact O-N 3.09Å; W2678-S2681 PolarHBondContact O-OG 2.86Å |
| 2682 | T | 88.1 | Confident | 87.3 | Confident | 45 Ų | 45 | 27.3 Ų | 27.3 | 28% | 0.276 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -78.4 | -40.5 | -173.9 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | W2678 S2724 | W2678-T2682 HydrophobicContact CZ2-CG2 4.24Å; W2678-T2682 PolarHBondContact NE1-OG1 2.91Å; W2678-T2682 WeakPolarHBondContact O-CB 3.46Å; W2678-T2682 PolarHBondContact O-N 3.36Å; W2678-T2682 PolarHBondContact O-OG1 3.11Å; T2682-S2724 WeakPolarHBondContact CG2-O 3.45Å |
| 2683 | F | 87.6 | Confident | 87.7 | Confident | 16 Ų | 16 | 25.6 Ų | 25.6 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | trans | -106.9 | 91 | -179.5 | -53.8 | -71.2 | 0 | 0 | 0 | 110.4 | W2678 F2679 W2689 I2725 | W2678-F2683 HydrophobicContact CH2-CE2 4.36Å; W2678-F2683 HydrophobicContact CZ3-CE2 4.14Å; F2679-F2683 HydrophobicContact CB-CD2 4.44Å; F2679-F2683 AromaticContact CD1-CD2 3.96Å; F2679-F2683 HydrophobicContact CD1-CD2 3.96Å; F2679-F2683 AromaticContact CD1-CE2 3.8Å; F2679-F2683 HydrophobicContact CD1-CE2 3.8Å; F2679-F2683 HydrophobicContact CE1-CE2 4.27Å; F2679-F2683 WeakPolarHBondContact O-CB 3.14Å; F2679-F2683 WeakPolarHBondContact O-CD2 3.19Å; F2679-F2683 PolarHBondContact O-N 2.9Å; F2683-W2689 VanDerWaalsContact CB-CA 3.46Å; F2683-W2689 HydrophobicContact CB-CB 3.91Å; F2683-I2725 WeakPolarHBondContact CE1-O 3.3Å | ||
| 2684 | S | 80.6 | Confident | 87.9 | Confident | 76 Ų | 76 | 24.7 Ų | 24.7 | 53% | 0.531 | 14% | 0.142 | S | C | . | . | trans | -71.6 | -34.5 | -178.4 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2685 | N | 82.4 | Confident | 88.1 | Confident | 41 Ų | 41 | 26.2 Ų | 26.2 | 22% | 0.219 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -77.7 | 128.4 | 176.4 | -178.2 | -29.7 | 0 | 0 | 0 | 109.8 | E2017 S2687 S2688 W2689 | E2017-N2685 PolarHBondContact O-ND2 2.99Å; N2685-S2687 VanDerWaalsContact C-N 3.27Å; N2685-S2687 PolarHBondContact O-N 3.38Å; N2685-S2687 PolarHBondContact OD1-N 2.9Å; N2685-S2688 CarbonylContact O-C 3.6Å; N2685-S2688 WeakPolarHBondContact O-CB 3.19Å; N2685-S2688 PolarHBondContact O-N 3.05Å; N2685-W2689 PolarHBondContact O-N 3.26Å |
| 2686 | P | 84 | Confident | 88.3 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.1 | -37.2 | 179.2 | -26.4 | 33.6 | 0 | 0 | 0 | 114.8 | W2689 Y2690 | P2686-W2689 PolarHBondContact O-N 3.18Å; P2686-Y2690 WeakPolarHBondContact O-CB 3.47Å; P2686-Y2690 PolarHBondContact O-N 2.79Å |
| 2687 | S | 82.8 | Confident | 88.7 | Confident | 10 Ų | 10 | 22.5 Ų | 22.5 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.2 | -38.4 | 178.3 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | N2685 S2691 | N2685-S2687 VanDerWaalsContact C-N 3.27Å; N2685-S2687 PolarHBondContact O-N 3.38Å; N2685-S2687 PolarHBondContact OD1-N 2.9Å; S2687-S2691 WeakPolarHBondContact O-CB 3.14Å; S2687-S2691 PolarHBondContact O-N 2.89Å; S2687-S2691 PolarHBondContact O-OG 2.82Å; S2687-S2691 VanDerWaalsContact O-OG 3.04Å |
| 2688 | S | 84.7 | Confident | 89 | Confident | 43 Ų | 43 | 23.1 Ų | 23.1 | 30% | 0.301 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -68.2 | -36.2 | 172.5 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | N2685 G2692 | N2685-S2688 CarbonylContact O-C 3.6Å; N2685-S2688 WeakPolarHBondContact O-CB 3.19Å; N2685-S2688 PolarHBondContact O-N 3.05Å; S2688-G2692 PolarHBondContact O-N 3.16Å |
| 2689 | W | 90.5 | Very high | 89.2 | Confident | 11 Ų | 11 | 23.4 Ų | 23.4 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -50.4 | 173.6 | 164.6 | 83.4 | 0 | 0 | 0 | 111.1 | F2683 N2685 P2686 S2691 G2692 R2693 | F2683-W2689 VanDerWaalsContact CB-CA 3.46Å; F2683-W2689 HydrophobicContact CB-CB 3.91Å; N2685-W2689 PolarHBondContact O-N 3.26Å; P2686-W2689 PolarHBondContact O-N 3.18Å; W2689-S2691 PolarHBondContact O-N 3.45Å; W2689-G2692 PolarHBondContact O-N 2.84Å; W2689-R2693 VanDerWaalsContact O-CB 3.31Å; W2689-R2693 WeakPolarHBondContact O-CB 2.86Å; W2689-R2693 PolarHBondContact O-N 3.33Å |
| 2690 | Y | 89.1 | Confident | 89.4 | Confident | 23 Ų | 23 | 23.4 Ų | 23.4 | 9% | 0.09 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 178.7 | 171.7 | -118 | 0 | 0 | 0 | 111.1 | D1802 P2686 G2692 R2693 E2694 | D1802-Y2690 PolarHBondContact OD2-OH 2.99Å; P2686-Y2690 WeakPolarHBondContact O-CB 3.47Å; P2686-Y2690 PolarHBondContact O-N 2.79Å; Y2690-G2692 PolarHBondContact O-N 3.11Å; Y2690-R2693 PolarHBondContact O-N 2.95Å; Y2690-E2694 HydrophobicContact CD2-CG 3.95Å; Y2690-E2694 HydrophobicContact CE1-CG 4.39Å; Y2690-E2694 HydrophobicContact CE2-CG 3.49Å; Y2690-E2694 VanDerWaalsContact CE2-CG 3.49Å; Y2690-E2694 VanDerWaalsContact O-CB 3.29Å; Y2690-E2694 WeakPolarHBondContact O-CB 3.15Å; Y2690-E2694 WeakPolarHBondContact O-CG 3.36Å; Y2690-E2694 PolarHBondContact O-N 3.39Å |
| 2691 | S | 87.8 | Confident | 89.8 | Confident | 44 Ų | 44 | 21.9 Ų | 21.9 | 31% | 0.308 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 178.3 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | S2687 W2689 E2694 C2695 | S2687-S2691 WeakPolarHBondContact O-CB 3.14Å; S2687-S2691 PolarHBondContact O-N 2.89Å; S2687-S2691 PolarHBondContact O-OG 2.82Å; S2687-S2691 VanDerWaalsContact O-OG 3.04Å; W2689-S2691 PolarHBondContact O-N 3.45Å; S2691-E2694 PolarHBondContact O-N 3.48Å; S2691-C2695 WeakPolarHBondContact O-CB 3.3Å; S2691-C2695 PolarHBondContact O-N 2.86Å; S2691-C2695 PolarHBondContact O-SG 3.06Å |
| 2692 | G | 91.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2688 W2689 Y2690 C2695 Y2696 S2726 | S2688-G2692 PolarHBondContact O-N 3.16Å; W2689-G2692 PolarHBondContact O-N 2.84Å; Y2690-G2692 PolarHBondContact O-N 3.11Å; G2692-C2695 PolarHBondContact O-N 2.63Å; G2692-Y2696 WeakPolarHBondContact O-CB 3.47Å; G2692-Y2696 PolarHBondContact O-N 3.01Å; G2692-S2726 WeakPolarHBondContact CA-O 3.45Å |
| 2693 | R | 92.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.4 | -40.9 | 175.8 | -168.8 | -161.3 | 70.6 | -168.2 | 8.2 | 112 | F2679 W2689 Y2690 Y2696 A2697 | F2679-R2693 HydrophobicContact CD1-CB 4.25Å; W2689-R2693 VanDerWaalsContact O-CB 3.31Å; W2689-R2693 WeakPolarHBondContact O-CB 2.86Å; W2689-R2693 PolarHBondContact O-N 3.33Å; Y2690-R2693 PolarHBondContact O-N 2.95Å; R2693-Y2696 WeakPolarHBondContact O-CB 3.18Å; R2693-Y2696 PolarHBondContact O-N 3.37Å; R2693-A2697 PolarHBondContact O-N 3.41Å |
| 2694 | E | 90.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 174.5 | -83.6 | -65 | 116.5 | 0 | 0 | 111.7 | Y2690 S2691 Y2696 A2697 R2698 T2770 | Y2690-E2694 HydrophobicContact CD2-CG 3.95Å; Y2690-E2694 HydrophobicContact CE1-CG 4.39Å; Y2690-E2694 HydrophobicContact CE2-CG 3.49Å; Y2690-E2694 VanDerWaalsContact CE2-CG 3.49Å; Y2690-E2694 VanDerWaalsContact O-CB 3.29Å; Y2690-E2694 WeakPolarHBondContact O-CB 3.15Å; Y2690-E2694 WeakPolarHBondContact O-CG 3.36Å; Y2690-E2694 PolarHBondContact O-N 3.39Å; S2691-E2694 PolarHBondContact O-N 3.48Å; E2694-Y2696 VanDerWaalsContact C-N 3.29Å; E2694-Y2696 PolarHBondContact O-N 2.72Å; E2694-A2697 PolarHBondContact O-N 3.38Å; E2694-R2698 VanDerWaalsContact O-CB 3.31Å; E2694-R2698 WeakPolarHBondContact O-CB 3.49Å; E2694-R2698 WeakPolarHBondContact O-CD 3.23Å; E2694-R2698 WeakPolarHBondContact O-CG 3.42Å; E2694-R2698 PolarHBondContact O-N 3.5Å; E2694-R2698 IonicContact OE2-CZ 3.58Å; E2694-R2698 VanDerWaalsContact OE2-CZ 3.29Å; E2694-R2698 IonicContact OE2-NE 2.78Å; E2694-R2698 PolarHBondContact OE2-NE 2.77Å; E2694-R2698 VanDerWaalsContact OE2-NE 3.09Å; E2694-R2698 IonicContact OE2-NH2 3.61Å; E2694-R2698 PolarHBondContact OE2-NH2 2.96Å; E2694-T2770 PolarHBondContact OE1-OG1 3.24Å; E2694-T2770 VanDerWaalsContact OE2-CG2 3.22Å; E2694-T2770 WeakPolarHBondContact OE2-CG2 3.17Å |
| 2695 | C | 92.8 | Very high | 91.8 | Very high | 33 Ų | 33 | 14.1 Ų | 14.1 | 22% | 0.223 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.5 | -43.4 | 173.1 | -74.5 | 0 | 0 | 0 | 0 | 111.3 | S2691 G2692 R2698 T2699 S2726 | S2691-C2695 WeakPolarHBondContact O-CB 3.3Å; S2691-C2695 PolarHBondContact O-N 2.86Å; S2691-C2695 PolarHBondContact O-SG 3.06Å; G2692-C2695 PolarHBondContact O-N 2.63Å; C2695-R2698 PolarHBondContact O-N 2.87Å; C2695-T2699 WeakPolarHBondContact O-CB 3.08Å; C2695-T2699 WeakPolarHBondContact O-CG2 3.43Å; C2695-T2699 PolarHBondContact O-N 3.37Å; C2695-T2699 PolarHBondContact O-OG1 3.13Å; C2695-S2726 VanDerWaalsContact CB-O 3.27Å; C2695-S2726 WeakPolarHBondContact CB-O 3.35Å |
| 2696 | Y | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -56.9 | -55 | 173.1 | 162.2 | -119.9 | 0 | 0 | 0 | 112.1 | F2675 F2679 G2692 R2693 E2694 R2698 T2699 C2700 F2722 G2727 L2729 M2758 A2761 M2762 | F2675-Y2696 HydrophobicContact CE1-CE1 4.48Å; F2675-Y2696 HydrophobicContact CE1-CE2 4.34Å; F2679-Y2696 HydrophobicContact CE1-CD1 4.39Å; F2679-Y2696 HydrophobicContact CE1-CG 4.18Å; F2679-Y2696 AromaticContact CE2-CD1 3.97Å; F2679-Y2696 HydrophobicContact CE2-CD1 3.97Å; F2679-Y2696 HydrophobicContact CE2-CE1 4.39Å; F2679-Y2696 HydrophobicContact CE2-CG 4.29Å; F2679-Y2696 VanDerWaalsContact CZ-CB 3.49Å; F2679-Y2696 AromaticContact CZ-CD1 3.54Å; F2679-Y2696 HydrophobicContact CZ-CD1 3.54Å; F2679-Y2696 HydrophobicContact CZ-CD2 4.21Å; F2679-Y2696 HydrophobicContact CZ-CE1 4.32Å; F2679-Y2696 AromaticContact CZ-CG 3.46Å; F2679-Y2696 HydrophobicContact CZ-CG 3.46Å; F2679-Y2696 VanDerWaalsContact CZ-CG 3.46Å; G2692-Y2696 WeakPolarHBondContact O-CB 3.47Å; G2692-Y2696 PolarHBondContact O-N 3.01Å; R2693-Y2696 WeakPolarHBondContact O-CB 3.18Å; R2693-Y2696 PolarHBondContact O-N 3.37Å; E2694-Y2696 VanDerWaalsContact C-N 3.29Å; E2694-Y2696 PolarHBondContact O-N 2.72Å; Y2696-R2698 VanDerWaalsContact C-N 3.3Å; Y2696-R2698 PolarHBondContact O-N 3.25Å; Y2696-T2699 PolarHBondContact O-N 3.27Å; Y2696-T2699 PolarHBondContact O-OG1 3.19Å; Y2696-C2700 HydrophobicContact CD2-CB 4.33Å; Y2696-C2700 HydrophobicContact CE2-CB 4.03Å; Y2696-C2700 WeakPolarHBondContact O-CB 3.48Å; Y2696-C2700 PolarHBondContact O-N 3.38Å; Y2696-F2722 HydrophobicContact CD2-CD1 4.25Å; Y2696-F2722 AromaticContact CD2-CE1 3.57Å; Y2696-F2722 HydrophobicContact CD2-CE1 3.57Å; Y2696-F2722 AromaticContact CE2-CE1 3.54Å; Y2696-F2722 HydrophobicContact CE2-CE1 3.54Å; Y2696-F2722 HydrophobicContact CE2-CZ 4.14Å; Y2696-G2727 VanDerWaalsContact CA-O 3.28Å; Y2696-G2727 WeakPolarHBondContact CA-O 3.22Å; Y2696-G2727 WeakPolarHBondContact CB-O 3.3Å; Y2696-G2727 PolarHBondContact N-O 3.44Å; Y2696-L2729 HydrophobicContact CD2-CB 4.28Å; Y2696-L2729 HydrophobicContact CD2-CD1 4.34Å; Y2696-L2729 HydrophobicContact CE2-CD1 3.89Å; Y2696-M2758 HydrophobicContact CE2-CE 4.5Å; Y2696-M2758 VanDerWaalsContact OH-CA 3.25Å; Y2696-M2758 WeakPolarHBondContact OH-CA 3.43Å; Y2696-M2758 VanDerWaalsContact OH-CB 3.24Å; Y2696-M2758 WeakPolarHBondContact OH-CB 3.13Å; Y2696-M2758 PolarHBondContact OH-O 3.38Å; Y2696-M2758 VanDerWaalsContact OH-O 3.07Å; Y2696-A2761 HydrophobicContact CE1-CB 4.09Å; Y2696-M2762 HydrophobicContact CD1-CG 4.43Å; Y2696-M2762 HydrophobicContact CE1-CE 4.25Å; Y2696-M2762 HydrophobicContact CE1-CG 3.75Å |
| 2697 | A | 94.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 3% | 0.033 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R2693 E2694 A2701 T2770 | R2693-A2697 PolarHBondContact O-N 3.41Å; E2694-A2697 PolarHBondContact O-N 3.38Å; A2697-A2701 WeakPolarHBondContact O-CB 3.48Å; A2697-A2701 PolarHBondContact O-N 3.08Å; A2697-T2770 HydrophobicContact CB-CG2 3.98Å |
| 2698 | R | 95.2 | Very high | 93.2 | Very high | 55 Ų | 55 | 12.7 Ų | 12.7 | 21% | 0.208 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.3 | -51.9 | 178.7 | -69.7 | 167.3 | -166.9 | 174.2 | 8.3 | 112.3 | R2597 L2599 E2694 C2695 Y2696 C2700 A2701 V2702 T2770 | R2597-R2698 WeakPolarHBondContact O-CD 3.16Å; R2597-R2698 PolarHBondContact O-NH1 3.14Å; L2599-R2698 HydrophobicContact CD2-CB 3.75Å; L2599-R2698 HydrophobicContact CD2-CG 3.87Å; E2694-R2698 VanDerWaalsContact O-CB 3.31Å; E2694-R2698 WeakPolarHBondContact O-CB 3.49Å; E2694-R2698 WeakPolarHBondContact O-CD 3.23Å; E2694-R2698 WeakPolarHBondContact O-CG 3.42Å; E2694-R2698 PolarHBondContact O-N 3.5Å; E2694-R2698 IonicContact OE2-CZ 3.58Å; E2694-R2698 VanDerWaalsContact OE2-CZ 3.29Å; E2694-R2698 IonicContact OE2-NE 2.78Å; E2694-R2698 PolarHBondContact OE2-NE 2.77Å; E2694-R2698 VanDerWaalsContact OE2-NE 3.09Å; E2694-R2698 IonicContact OE2-NH2 3.61Å; E2694-R2698 PolarHBondContact OE2-NH2 2.96Å; C2695-R2698 PolarHBondContact O-N 2.87Å; Y2696-R2698 VanDerWaalsContact C-N 3.3Å; Y2696-R2698 PolarHBondContact O-N 3.25Å; R2698-C2700 VanDerWaalsContact C-N 3.33Å; R2698-C2700 PolarHBondContact O-N 3.46Å; R2698-A2701 PolarHBondContact O-N 3.26Å; R2698-V2702 VanDerWaalsContact O-CG2 3.24Å; R2698-V2702 WeakPolarHBondContact O-CG2 3.47Å; R2698-V2702 PolarHBondContact O-N 3.22Å; R2698-T2770 HydrophobicContact CG-CG2 3.82Å |
| 2699 | T | 96.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 10.8 Ų | 10.8 | 3% | 0.031 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.5 | -36.3 | 179.9 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | C2695 Y2696 V2702 M2703 D2728 L2729 | C2695-T2699 WeakPolarHBondContact O-CB 3.08Å; C2695-T2699 WeakPolarHBondContact O-CG2 3.43Å; C2695-T2699 PolarHBondContact O-N 3.37Å; C2695-T2699 PolarHBondContact O-OG1 3.13Å; Y2696-T2699 PolarHBondContact O-N 3.27Å; Y2696-T2699 PolarHBondContact O-OG1 3.19Å; T2699-V2702 PolarHBondContact O-N 3.45Å; T2699-M2703 WeakPolarHBondContact O-CB 3.47Å; T2699-M2703 PolarHBondContact O-N 2.71Å; T2699-D2728 HydrophobicContact CG2-CB 4.13Å; T2699-D2728 WeakPolarHBondContact CG2-OD1 3.34Å; T2699-L2729 PolarHBondContact OG1-N 3.35Å |
| 2700 | C | 96.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 1% | 0.014 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 172 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | Y2696 R2698 S2704 L2729 M2758 M2762 F2771 | Y2696-C2700 HydrophobicContact CD2-CB 4.33Å; Y2696-C2700 HydrophobicContact CE2-CB 4.03Å; Y2696-C2700 WeakPolarHBondContact O-CB 3.48Å; Y2696-C2700 PolarHBondContact O-N 3.38Å; R2698-C2700 VanDerWaalsContact C-N 3.33Å; R2698-C2700 PolarHBondContact O-N 3.46Å; C2700-S2704 VanDerWaalsContact O-CB 3.22Å; C2700-S2704 WeakPolarHBondContact O-CB 3.49Å; C2700-S2704 PolarHBondContact O-N 2.72Å; C2700-S2704 PolarHBondContact O-OG 2.7Å; C2700-L2729 HydrophobicContact CB-CD1 4.06Å; C2700-M2758 VanDerWaalsContact SG-CE 3.54Å; C2700-M2762 HydrophobicContact CB-CE 4.41Å; C2700-F2771 HydrophobicContact CB-CD2 4.36Å; C2700-F2771 HydrophobicContact CB-CE2 4.25Å |
| 2701 | A | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2697 R2698 S2704 M2705 F2771 C2774 S2775 | A2697-A2701 WeakPolarHBondContact O-CB 3.48Å; A2697-A2701 PolarHBondContact O-N 3.08Å; R2698-A2701 PolarHBondContact O-N 3.26Å; A2701-S2704 PolarHBondContact O-N 3.47Å; A2701-M2705 WeakPolarHBondContact O-CG 3.31Å; A2701-M2705 PolarHBondContact O-N 2.97Å; A2701-M2705 VanDerWaalsContact O-N 3.07Å; A2701-F2771 VanDerWaalsContact CA-CE2 3.47Å; A2701-F2771 HydrophobicContact CB-CD2 3.75Å; A2701-F2771 HydrophobicContact CB-CE2 3.97Å; A2701-F2771 HydrophobicContact CB-CG 4.24Å; A2701-F2771 WeakPolarHBondContact CB-O 3.26Å; A2701-C2774 HydrophobicContact CB-CB 3.6Å; A2701-S2775 WeakPolarHBondContact CB-OG 3.37Å |
| 2702 | V | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.5 | -52.1 | 178.7 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | L2588 L2599 I2601 R2698 T2699 S2704 M2705 V2706 V2778 | L2588-V2702 HydrophobicContact CD1-CG1 4.19Å; L2599-V2702 HydrophobicContact CB-CG2 3.92Å; L2599-V2702 HydrophobicContact CD1-CG2 4.22Å; L2599-V2702 HydrophobicContact CD2-CG2 4.27Å; L2599-V2702 HydrophobicContact CG-CG2 4.36Å; I2601-V2702 HydrophobicContact CD1-CG1 3.81Å; I2601-V2702 HydrophobicContact CG1-CG1 3.38Å; R2698-V2702 VanDerWaalsContact O-CG2 3.24Å; R2698-V2702 WeakPolarHBondContact O-CG2 3.47Å; R2698-V2702 PolarHBondContact O-N 3.22Å; T2699-V2702 PolarHBondContact O-N 3.45Å; V2702-S2704 VanDerWaalsContact C-N 3.31Å; V2702-S2704 PolarHBondContact O-N 3.34Å; V2702-M2705 PolarHBondContact O-N 3.47Å; V2702-V2706 HydrophobicContact CG1-CG2 4.38Å; V2702-V2706 WeakPolarHBondContact O-CB 3.5Å; V2702-V2706 VanDerWaalsContact O-CG2 3.29Å; V2702-V2706 WeakPolarHBondContact O-CG2 3.49Å; V2702-V2706 PolarHBondContact O-N 3.24Å; V2702-V2778 HydrophobicContact CB-CG2 4.28Å; V2702-V2778 HydrophobicContact CG1-CG2 4.47Å; V2702-V2778 HydrophobicContact CG2-CG2 3.66Å |
| 2703 | M | 95.6 | Very high | 93 | Very high | 5 Ų | 5 | 8.3 Ų | 8.3 | 3% | 0.025 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -69 | -27.2 | -179.2 | -75.5 | -54.5 | -51.7 | 0 | 0 | 113.4 | I2601 T2699 G2707 L2712 L2729 H2731 F2734 | I2601-M2703 HydrophobicContact CB-SD 4.4Å; I2601-M2703 HydrophobicContact CD1-SD 4.19Å; I2601-M2703 HydrophobicContact CG1-SD 4.08Å; I2601-M2703 HydrophobicContact CG2-SD 3.55Å; I2601-M2703 VanDerWaalsContact CG2-SD 3.55Å; T2699-M2703 WeakPolarHBondContact O-CB 3.47Å; T2699-M2703 PolarHBondContact O-N 2.71Å; M2703-G2707 VanDerWaalsContact O-CA 3.32Å; M2703-G2707 WeakPolarHBondContact O-CA 3.48Å; M2703-G2707 PolarHBondContact O-N 3.35Å; M2703-L2712 HydrophobicContact CE-CD1 4.26Å; M2703-L2729 HydrophobicContact CB-CD2 4.29Å; M2703-L2729 HydrophobicContact CG-CD2 4.45Å; M2703-H2731 HydrophobicContact CE-CB 3.93Å; M2703-F2734 HydrophobicContact CE-CE1 4.22Å; M2703-F2734 HydrophobicContact CE-CZ 4.48Å |
| 2704 | S | 95.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 4% | 0.035 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67.6 | -47 | 174.3 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | C2700 A2701 V2702 G2707 Y2708 F2752 | C2700-S2704 VanDerWaalsContact O-CB 3.22Å; C2700-S2704 WeakPolarHBondContact O-CB 3.49Å; C2700-S2704 PolarHBondContact O-N 2.72Å; C2700-S2704 PolarHBondContact O-OG 2.7Å; A2701-S2704 PolarHBondContact O-N 3.47Å; V2702-S2704 VanDerWaalsContact C-N 3.31Å; V2702-S2704 PolarHBondContact O-N 3.34Å; S2704-G2707 PolarHBondContact O-N 3.46Å; S2704-Y2708 WeakPolarHBondContact O-CB 3.42Å; S2704-Y2708 PolarHBondContact O-N 3.47Å; S2704-F2752 WeakPolarHBondContact OG-CD2 3.39Å |
| 2705 | M | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -69.3 | -43.7 | 178.8 | -65.3 | -57.6 | 101.9 | 0 | 0 | 112.1 | A2701 V2702 Y2708 V2709 F2752 V2778 M2779 V2880 L2883 | A2701-M2705 WeakPolarHBondContact O-CG 3.31Å; A2701-M2705 PolarHBondContact O-N 2.97Å; A2701-M2705 VanDerWaalsContact O-N 3.07Å; V2702-M2705 PolarHBondContact O-N 3.47Å; M2705-Y2708 PolarHBondContact O-N 3.22Å; M2705-V2709 WeakPolarHBondContact O-CG2 3.03Å; M2705-V2709 PolarHBondContact O-N 3.08Å; M2705-F2752 HydrophobicContact CE-CD1 4.36Å; M2705-F2752 HydrophobicContact CE-CE1 3.55Å; M2705-F2752 HydrophobicContact CE-CZ 3.88Å; M2705-V2778 HydrophobicContact CB-CB 4.35Å; M2705-V2778 HydrophobicContact CB-CG1 3.82Å; M2705-V2778 HydrophobicContact CG-CB 4.46Å; M2705-V2778 HydrophobicContact CG-CG1 4.45Å; M2705-M2779 HydrophobicContact SD-CB 4.4Å; M2705-V2880 HydrophobicContact SD-CG2 4.02Å; M2705-L2883 HydrophobicContact CE-CD1 4.46Å; M2705-L2883 HydrophobicContact SD-CD1 4.41Å |
| 2706 | V | 93.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.012 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 174.9 | 172.6 | 0 | 0 | 0 | 0 | 110.1 | I2584 I2601 V2702 Y2708 V2709 L2710 V2778 L2782 | I2584-V2706 HydrophobicContact CD1-CG1 3.98Å; I2584-V2706 HydrophobicContact CD1-CG2 3.99Å; I2584-V2706 HydrophobicContact CG2-CG2 4.48Å; I2601-V2706 HydrophobicContact CD1-CG2 4.06Å; V2702-V2706 HydrophobicContact CG1-CG2 4.38Å; V2702-V2706 WeakPolarHBondContact O-CB 3.5Å; V2702-V2706 VanDerWaalsContact O-CG2 3.29Å; V2702-V2706 WeakPolarHBondContact O-CG2 3.49Å; V2702-V2706 PolarHBondContact O-N 3.24Å; V2706-Y2708 PolarHBondContact O-N 2.68Å; V2706-V2709 PolarHBondContact O-N 3.23Å; V2706-L2710 HydrophobicContact CG1-CD1 3.64Å; V2706-L2710 HydrophobicContact CG1-CG 4.23Å; V2706-L2710 WeakPolarHBondContact O-CB 3.32Å; V2706-L2710 WeakPolarHBondContact O-CG 3.45Å; V2706-L2710 PolarHBondContact O-N 3.28Å; V2706-V2778 HydrophobicContact CG2-CG1 4.47Å; V2706-L2782 HydrophobicContact CG2-CD1 4.17Å |
| 2707 | G | 92.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 11.3 Ų | 11.3 | 4% | 0.041 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | M2703 S2704 L2710 G2711 L2712 | M2703-G2707 VanDerWaalsContact O-CA 3.32Å; M2703-G2707 WeakPolarHBondContact O-CA 3.48Å; M2703-G2707 PolarHBondContact O-N 3.35Å; S2704-G2707 PolarHBondContact O-N 3.46Å; G2707-L2710 PolarHBondContact O-N 3.09Å; G2707-G2711 WeakPolarHBondContact O-CA 3.47Å; G2707-G2711 PolarHBondContact O-N 3.25Å; G2707-L2712 PolarHBondContact O-N 3.32Å |
| 2708 | Y | 92.6 | Very high | 92.3 | Very high | 19 Ų | 19 | 16 Ų | 16 | 8% | 0.075 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.9 | -49.7 | 174.2 | 168 | -103.8 | 0 | 0 | 0 | 112.3 | S2704 M2705 V2706 L2710 G2711 P2751 R2857 L2883 | S2704-Y2708 WeakPolarHBondContact O-CB 3.42Å; S2704-Y2708 PolarHBondContact O-N 3.47Å; M2705-Y2708 PolarHBondContact O-N 3.22Å; V2706-Y2708 PolarHBondContact O-N 2.68Å; Y2708-L2710 VanDerWaalsContact C-N 3.28Å; Y2708-L2710 PolarHBondContact O-N 2.97Å; Y2708-G2711 PolarHBondContact O-N 2.83Å; Y2708-G2711 VanDerWaalsContact O-N 3.09Å; Y2708-P2751 HydrophobicContact CD2-CB 3.76Å; Y2708-P2751 HydrophobicContact CE2-CB 4.38Å; Y2708-R2857 HydrophobicContact CE1-CB 4.05Å; Y2708-R2857 HydrophobicContact CE1-CG 4.15Å; Y2708-R2857 PolarHBondContact O-NE 3.12Å; Y2708-L2883 HydrophobicContact CD1-CD1 3.55Å; Y2708-L2883 HydrophobicContact CD1-CD2 4.25Å; Y2708-L2883 HydrophobicContact CD2-CD1 4.26Å; Y2708-L2883 HydrophobicContact CD2-CD2 3.52Å; Y2708-L2883 HydrophobicContact CE1-CD1 3.67Å; Y2708-L2883 HydrophobicContact CE1-CD2 4.05Å; Y2708-L2883 HydrophobicContact CE1-CG 4.46Å; Y2708-L2883 HydrophobicContact CE2-CD1 4.35Å; Y2708-L2883 HydrophobicContact CE2-CD2 3.25Å; Y2708-L2883 HydrophobicContact CE2-CG 4.42Å; Y2708-L2883 HydrophobicContact CG-CD1 3.86Å; Y2708-L2883 HydrophobicContact CG-CD2 4.01Å |
| 2709 | V | 89.6 | Confident | 92.1 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.024 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | -180 | 163.2 | 0 | 0 | 0 | 0 | 110.8 | M2705 V2706 G2711 M2779 L2782 M2854 R2857 L2858 | M2705-V2709 WeakPolarHBondContact O-CG2 3.03Å; M2705-V2709 PolarHBondContact O-N 3.08Å; V2706-V2709 PolarHBondContact O-N 3.23Å; V2709-G2711 VanDerWaalsContact C-N 3.33Å; V2709-M2779 HydrophobicContact CG2-CE 3.97Å; V2709-M2779 HydrophobicContact CG2-SD 4.09Å; V2709-L2782 HydrophobicContact CG2-CD1 4.03Å; V2709-M2854 HydrophobicContact CG1-CE 3.66Å; V2709-M2854 HydrophobicContact CG1-CG 4.22Å; V2709-R2857 PolarHBondContact O-NE 2.9Å; V2709-R2857 PolarHBondContact O-NH2 2.96Å; V2709-L2858 HydrophobicContact CB-CD2 4.44Å; V2709-L2858 HydrophobicContact CG1-CD1 4.17Å; V2709-L2858 HydrophobicContact CG1-CD2 3.64Å; V2709-L2858 HydrophobicContact CG1-CG 3.74Å; V2709-L2858 HydrophobicContact CG2-CD2 3.88Å; V2709-L2858 HydrophobicContact CG2-CG 4.42Å |
| 2710 | L | 86.3 | Confident | 92 | Very high | 5 Ų | 5 | 13.9 Ų | 13.9 | 3% | 0.026 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -73.3 | -23.9 | 178.3 | -64.1 | 179.2 | 0 | 0 | 0 | 113.8 | L2577 L2580 V2706 G2707 Y2708 L2712 F2738 F2793 M2854 | L2577-L2710 HydrophobicContact CD2-CD1 3.79Å; L2577-L2710 HydrophobicContact CD2-CD2 4.33Å; L2580-L2710 HydrophobicContact CD2-CD1 4.08Å; L2580-L2710 HydrophobicContact CD2-CD2 3.87Å; L2580-L2710 HydrophobicContact CD2-CG 4.49Å; V2706-L2710 HydrophobicContact CG1-CD1 3.64Å; V2706-L2710 HydrophobicContact CG1-CG 4.23Å; V2706-L2710 WeakPolarHBondContact O-CB 3.32Å; V2706-L2710 WeakPolarHBondContact O-CG 3.45Å; V2706-L2710 PolarHBondContact O-N 3.28Å; G2707-L2710 PolarHBondContact O-N 3.09Å; Y2708-L2710 VanDerWaalsContact C-N 3.28Å; Y2708-L2710 PolarHBondContact O-N 2.97Å; L2710-L2712 HydrophobicContact CB-CD2 4.25Å; L2710-L2712 HydrophobicContact CB-CG 3.99Å; L2710-L2712 HydrophobicContact CD1-CD1 4.33Å; L2710-L2712 HydrophobicContact CD1-CD2 4.36Å; L2710-L2712 HydrophobicContact CD1-CG 4.26Å; L2710-F2738 VanDerWaalsContact O-CA 3.31Å; L2710-F2738 WeakPolarHBondContact O-CA 3.26Å; L2710-F2738 PolarHBondContact O-N 2.91Å; L2710-F2793 HydrophobicContact CD2-CE1 3.81Å; L2710-F2793 HydrophobicContact CD2-CE2 3.62Å; L2710-F2793 HydrophobicContact CD2-CZ 3.05Å; L2710-F2793 HydrophobicContact CG-CZ 4.47Å; L2710-M2854 HydrophobicContact CD2-CE 3.92Å; L2710-M2854 HydrophobicContact CD2-SD 4.33Å |
| 2711 | G | 87.5 | Confident | 92 | Very high | 6 Ų | 6 | 14.7 Ų | 14.7 | 6% | 0.062 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 44.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G2707 Y2708 V2709 G2713 V2737 F2738 N2739 | G2707-G2711 WeakPolarHBondContact O-CA 3.47Å; G2707-G2711 PolarHBondContact O-N 3.25Å; Y2708-G2711 PolarHBondContact O-N 2.83Å; Y2708-G2711 VanDerWaalsContact O-N 3.09Å; V2709-G2711 VanDerWaalsContact C-N 3.33Å; G2711-G2713 PolarHBondContact O-N 3.46Å; G2711-V2737 CarbonylContact O-C 3.57Å; G2711-F2738 PolarHBondContact O-N 3.42Å; G2711-N2739 WeakPolarHBondContact CA-OD1 3.4Å; G2711-N2739 PolarHBondContact O-N 3.44Å |
| 2712 | L | 88.3 | Confident | 92 | Very high | 16 Ų | 16 | 14.7 Ų | 14.7 | 8% | 0.084 | 8% | 0.075 | C | C | . | . | trans | -66.7 | 125.9 | 174.8 | -67.6 | -177 | 0 | 0 | 0 | 110.1 | M2703 G2707 L2710 F2734 C2736 V2737 | M2703-L2712 HydrophobicContact CE-CD1 4.26Å; G2707-L2712 PolarHBondContact O-N 3.32Å; L2710-L2712 HydrophobicContact CB-CD2 4.25Å; L2710-L2712 HydrophobicContact CB-CG 3.99Å; L2710-L2712 HydrophobicContact CD1-CD1 4.33Å; L2710-L2712 HydrophobicContact CD1-CD2 4.36Å; L2710-L2712 HydrophobicContact CD1-CG 4.26Å; L2712-F2734 HydrophobicContact CD1-CD1 3.85Å; L2712-F2734 HydrophobicContact CD1-CE1 3.74Å; L2712-F2734 HydrophobicContact CD2-CD1 3.76Å; L2712-F2734 HydrophobicContact CD2-CE1 4.5Å; L2712-F2734 HydrophobicContact CG-CD1 4.47Å; L2712-C2736 WeakPolarHBondContact CA-O 3.16Å; L2712-V2737 HydrophobicContact CD2-CB 4.45Å; L2712-V2737 HydrophobicContact CD2-CG1 3.43Å; L2712-V2737 VanDerWaalsContact CD2-CG1 3.43Å | ||
| 2713 | G | 86.7 | Confident | 91.9 | Very high | 2 Ų | 2 | 15 Ų | 15 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | trans | -119.9 | -170.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G2711 R2715 C2736 E2748 | G2711-G2713 PolarHBondContact O-N 3.46Å; G2713-R2715 VanDerWaalsContact O-CZ 3.23Å; G2713-R2715 PolarHBondContact O-NE 2.96Å; G2713-R2715 PolarHBondContact O-NH2 3.33Å; G2713-C2736 PolarHBondContact N-O 3.43Å; G2713-E2748 WeakPolarHBondContact CA-OE2 3.47Å | ||
| 2714 | D | 89.3 | Confident | 91.7 | Very high | 47 Ų | 47 | 16.3 Ų | 16.3 | 25% | 0.251 | 9% | 0.086 | S | C | . | . | trans | 58.2 | 46.7 | -175.9 | -163.9 | 23.8 | 0 | 0 | 0 | 112.6 | H2716 N2719 C2736 E2748 | D2714-H2716 VanDerWaalsContact C-N 3.27Å; D2714-H2716 PolarHBondContact O-N 3.26Å; D2714-H2716 IonicContact OD1-CD2 3.8Å; D2714-H2716 PolarHBondContact OD1-CD2 3.25Å; D2714-H2716 IonicContact OD1-NE2 2.72Å; D2714-N2719 PolarHBondContact O-ND2 3.14Å; D2714-C2736 HydrophobicContact CB-CB 3.83Å; D2714-E2748 VanDerWaalsContact CA-OE1 3.25Å; D2714-E2748 WeakPolarHBondContact CA-OE1 3.39Å; D2714-E2748 VanDerWaalsContact N-CD 3.26Å; D2714-E2748 PolarHBondContact N-OE1 3.01Å; D2714-E2748 PolarHBondContact N-OE2 2.79Å | ||
| 2715 | R | 92.1 | Very high | 91.5 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 3% | 0.03 | 11% | 0.113 | C | C | . | . | trans | -92.2 | 44 | -174 | -63.4 | -56.7 | 92.7 | -172.6 | 5.1 | 112.6 | G2713 V2732 D2733 E2748 R2753 W2900 | G2713-R2715 VanDerWaalsContact O-CZ 3.23Å; G2713-R2715 PolarHBondContact O-NE 2.96Å; G2713-R2715 PolarHBondContact O-NH2 3.33Å; R2715-V2732 PolarHBondContact NH1-O 3.28Å; R2715-D2733 PolarHBondContact NH1-O 2.92Å; R2715-D2733 PolarHBondContact NH2-O 3.36Å; R2715-E2748 PolarHBondContact N-OE1 2.91Å; R2715-R2753 WeakPolarHBondContact O-CD 3.39Å; R2715-W2900 PolarHBondContact O-NE1 3.21Å | ||
| 2716 | H | 89.8 | Confident | 91.2 | Very high | 47 Ų | 47 | 23.3 Ų | 23.3 | 22% | 0.218 | 13% | 0.125 | C | C | . | . | trans | -66.7 | 161.9 | 175 | 63.4 | 57.3 | 0 | 0 | 0 | 112.1 | D2714 E2718 N2719 | D2714-H2716 VanDerWaalsContact C-N 3.27Å; D2714-H2716 PolarHBondContact O-N 3.26Å; D2714-H2716 IonicContact OD1-CD2 3.8Å; D2714-H2716 PolarHBondContact OD1-CD2 3.25Å; D2714-H2716 IonicContact OD1-NE2 2.72Å; H2716-E2718 PolarHBondContact ND1-N 3.08Å; H2716-E2718 PolarHBondContact O-N 3.41Å; H2716-N2719 PolarHBondContact CE1-ND2 2.88Å; H2716-N2719 PolarHBondContact CE1-OD1 2.98Å; H2716-N2719 PolarHBondContact ND1-N 3.24Å; H2716-N2719 PolarHBondContact NE2-ND2 2.71Å; H2716-N2719 PolarHBondContact O-N 3.45Å | ||
| 2717 | T | 91.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -7.5 | -169.7 | 57.5 | 0 | 0 | 0 | 0 | 116 | F2625 R2626 M2901 L2904 | F2625-T2717 VanDerWaalsContact CB-O 3.3Å; F2625-T2717 WeakPolarHBondContact CB-O 3.34Å; F2625-T2717 HydrophobicContact CD1-CG2 3.67Å; F2625-T2717 HydrophobicContact CE1-CG2 4.21Å; F2625-T2717 PolarHBondContact N-O 3.04Å; F2625-T2717 VanDerWaalsContact N-O 3.16Å; R2626-T2717 WeakPolarHBondContact CB-OG1 3.27Å; R2626-T2717 PolarHBondContact N-O 3.26Å; T2717-M2901 HydrophobicContact CG2-CB 4.03Å; T2717-M2901 HydrophobicContact CG2-CG 4.38Å; T2717-M2901 HydrophobicContact CG2-SD 4.13Å; T2717-L2904 HydrophobicContact CG2-CD1 4.14Å |
| 2718 | E | 89.3 | Confident | 91.2 | Very high | 104 Ų | 104 | 23.2 Ų | 23.2 | 49% | 0.486 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -19.4 | 170.8 | -62.5 | 178.9 | 176.3 | 0 | 0 | 113.2 | R2626 H2716 I2720 L2721 | R2626-E2718 HydrophobicContact CB-CG 4.08Å; R2626-E2718 WeakPolarHBondContact CD-OE1 3.48Å; R2626-E2718 IonicContact NE-OE1 2.85Å; H2716-E2718 PolarHBondContact ND1-N 3.08Å; H2716-E2718 PolarHBondContact O-N 3.41Å; E2718-I2720 VanDerWaalsContact C-N 3.34Å; E2718-L2721 WeakPolarHBondContact O-CD2 3.46Å |
| 2719 | N | 91.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 22.5 Ų | 22.5 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -90.9 | -0.5 | 178.7 | -72.4 | -10.2 | 0 | 0 | 0 | 112.9 | D2714 H2716 V2732 | D2714-N2719 PolarHBondContact O-ND2 3.14Å; H2716-N2719 PolarHBondContact CE1-ND2 2.88Å; H2716-N2719 PolarHBondContact CE1-OD1 2.98Å; H2716-N2719 PolarHBondContact ND1-N 3.24Å; H2716-N2719 PolarHBondContact NE2-ND2 2.71Å; H2716-N2719 PolarHBondContact O-N 3.45Å; N2719-V2732 HydrophobicContact CB-CG2 4.5Å; N2719-V2732 PolarHBondContact O-N 2.93Å |
| 2720 | I | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 116.4 | 173.9 | -56.2 | -178.4 | 0 | 0 | 0 | 107.3 | F2625 E2718 F2722 L2729 R2753 | F2625-I2720 WeakPolarHBondContact CB-O 3.37Å; F2625-I2720 PolarHBondContact N-O 3.32Å; E2718-I2720 VanDerWaalsContact C-N 3.34Å; I2720-F2722 HydrophobicContact CG2-CE2 4.04Å; I2720-F2722 HydrophobicContact CG2-CZ 4.1Å; I2720-L2729 HydrophobicContact CG2-CD1 3.84Å; I2720-L2729 HydrophobicContact CG2-CD2 4.34Å; I2720-L2729 HydrophobicContact CG2-CG 3.89Å; I2720-R2753 HydrophobicContact CD1-CB 4.2Å; I2720-R2753 HydrophobicContact CD1-CG 4.34Å |
| 2721 | L | 95.9 | Very high | 92 | Very high | 19 Ų | 19 | 23.2 Ų | 23.2 | 10% | 0.099 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 155.2 | -179.3 | -41 | 178 | 0 | 0 | 0 | 110 | T2622 Q2623 P2624 E2718 V2730 V2732 | T2622-L2721 HydrophobicContact CG2-CB 4.42Å; Q2623-L2721 WeakPolarHBondContact O-CA 3.32Å; P2624-L2721 HydrophobicContact CB-CD2 3.82Å; P2624-L2721 HydrophobicContact CG-CD2 3.79Å; E2718-L2721 WeakPolarHBondContact O-CD2 3.46Å; L2721-V2730 HydrophobicContact CB-CB 4.3Å; L2721-V2730 PolarHBondContact N-O 3.39Å; L2721-V2730 PolarHBondContact O-N 3.4Å; L2721-V2732 HydrophobicContact CD1-CG1 3.6Å; L2721-V2732 HydrophobicContact CD1-CG2 4.13Å; L2721-V2732 HydrophobicContact CD2-CG2 4.38Å; L2721-V2732 HydrophobicContact CG-CG1 4.22Å; L2721-V2732 HydrophobicContact CG-CG2 4.13Å |
| 2722 | F | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.5 | 175.5 | -67 | -83.9 | 0 | 0 | 0 | 110.6 | T2622 Q2623 F2625 I2628 F2675 W2678 Y2696 I2720 S2724 D2728 L2729 | T2622-F2722 CarbonylContact C-O 3.56Å; T2622-F2722 VanDerWaalsContact CA-O 3.26Å; T2622-F2722 WeakPolarHBondContact CA-O 3.33Å; Q2623-F2722 PolarHBondContact N-O 3.49Å; Q2623-F2722 PolarHBondContact O-N 3.02Å; F2625-F2722 HydrophobicContact CB-CD2 4.23Å; F2625-F2722 HydrophobicContact CB-CE2 3.7Å; F2625-F2722 HydrophobicContact CD2-CD2 4.08Å; F2625-F2722 AromaticContact CD2-CE2 3.32Å; F2625-F2722 HydrophobicContact CD2-CE2 3.32Å; F2625-F2722 HydrophobicContact CD2-CZ 4.1Å; F2625-F2722 HydrophobicContact CE2-CE2 4.14Å; F2625-F2722 AromaticContact CG-CE2 3.7Å; F2625-F2722 HydrophobicContact CG-CE2 3.7Å; I2628-F2722 HydrophobicContact CD1-CB 3.86Å; I2628-F2722 HydrophobicContact CD1-CD2 3.76Å; I2628-F2722 HydrophobicContact CD1-CG 4.16Å; F2675-F2722 HydrophobicContact CE1-CE1 4.03Å; F2675-F2722 HydrophobicContact CE1-CE2 4.39Å; F2675-F2722 AromaticContact CE1-CZ 3.81Å; F2675-F2722 HydrophobicContact CE1-CZ 3.81Å; F2675-F2722 HydrophobicContact CE2-CD2 4.39Å; F2675-F2722 HydrophobicContact CE2-CE2 4.24Å; F2675-F2722 HydrophobicContact CE2-CZ 4.4Å; F2675-F2722 AromaticContact CZ-CD1 3.95Å; F2675-F2722 HydrophobicContact CZ-CD1 3.95Å; F2675-F2722 HydrophobicContact CZ-CD2 4.02Å; F2675-F2722 AromaticContact CZ-CE1 3.57Å; F2675-F2722 HydrophobicContact CZ-CE1 3.57Å; F2675-F2722 AromaticContact CZ-CE2 3.65Å; F2675-F2722 HydrophobicContact CZ-CE2 3.65Å; F2675-F2722 HydrophobicContact CZ-CG 4.15Å; F2675-F2722 AromaticContact CZ-CZ 3.41Å; F2675-F2722 HydrophobicContact CZ-CZ 3.41Å; F2675-F2722 VanDerWaalsContact CZ-CZ 3.41Å; W2678-F2722 HydrophobicContact CH2-CB 3.63Å; W2678-F2722 HydrophobicContact CH2-CG 4.48Å; W2678-F2722 HydrophobicContact CZ2-CB 3.98Å; W2678-F2722 HydrophobicContact CZ3-CB 4.13Å; Y2696-F2722 HydrophobicContact CD2-CD1 4.25Å; Y2696-F2722 AromaticContact CD2-CE1 3.57Å; Y2696-F2722 HydrophobicContact CD2-CE1 3.57Å; Y2696-F2722 AromaticContact CE2-CE1 3.54Å; Y2696-F2722 HydrophobicContact CE2-CE1 3.54Å; Y2696-F2722 HydrophobicContact CE2-CZ 4.14Å; I2720-F2722 HydrophobicContact CG2-CE2 4.04Å; I2720-F2722 HydrophobicContact CG2-CZ 4.1Å; F2722-S2724 PolarHBondContact O-N 3.45Å; F2722-D2728 WeakPolarHBondContact CA-O 3.38Å; F2722-L2729 HydrophobicContact CD1-CB 4.42Å; F2722-L2729 HydrophobicContact CE1-CB 4.1Å; F2722-L2729 HydrophobicContact CE1-CD1 3.81Å; F2722-L2729 HydrophobicContact CE1-CG 4.13Å; F2722-L2729 HydrophobicContact CZ-CD1 3.92Å; F2722-L2729 HydrophobicContact CZ-CG 4.46Å |
| 2723 | D | 95 | Very high | 92 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.032 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 119.4 | 173.8 | -167.5 | -26.7 | 0 | 0 | 0 | 110 | R2602 N2621 T2622 I2725 S2726 G2727 D2728 | R2602-D2723 IonicContact NH2-OD2 3.8Å; N2621-D2723 WeakPolarHBondContact CB-OD1 3.44Å; T2622-D2723 HydrophobicContact CG2-CB 4.41Å; D2723-I2725 PolarHBondContact O-N 3.19Å; D2723-I2725 PolarHBondContact OD1-N 3.49Å; D2723-S2726 WeakPolarHBondContact CB-OG 3.3Å; D2723-S2726 PolarHBondContact OD2-OG 3.49Å; D2723-G2727 VanDerWaalsContact O-CA 3.26Å; D2723-G2727 WeakPolarHBondContact O-CA 3.31Å; D2723-G2727 PolarHBondContact O-N 2.94Å; D2723-D2728 HydrophobicContact CB-CB 4.21Å; D2723-D2728 PolarHBondContact N-O 2.99Å |
| 2724 | S | 92.5 | Very high | 91.9 | Very high | 34 Ų | 34 | 25.4 Ų | 25.4 | 24% | 0.238 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12.2 | 178.9 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | N2621 T2682 F2722 | N2621-S2724 PolarHBondContact O-N 3.4Å; N2621-S2724 PolarHBondContact O-OG 3.05Å; T2682-S2724 WeakPolarHBondContact CG2-O 3.45Å; F2722-S2724 PolarHBondContact O-N 3.45Å |
| 2725 | I | 91.3 | Very high | 91.5 | Very high | 117 Ų | 117 | 25.1 Ų | 25.1 | 60% | 0.6 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -44.9 | 179 | -57.6 | -175.3 | 0 | 0 | 0 | 111.9 | N2621 F2683 D2723 | N2621-I2725 HydrophobicContact CB-CD1 3.98Å; N2621-I2725 HydrophobicContact CB-CG1 3.97Å; N2621-I2725 VanDerWaalsContact CG-CD1 3.46Å; N2621-I2725 WeakPolarHBondContact ND2-CD1 3.28Å; F2683-I2725 WeakPolarHBondContact CE1-O 3.3Å; D2723-I2725 PolarHBondContact O-N 3.19Å; D2723-I2725 PolarHBondContact OD1-N 3.49Å |
| 2726 | S | 89.2 | Confident | 91 | Very high | 34 Ų | 34 | 25.2 Ų | 25.2 | 24% | 0.238 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -20.7 | -175.9 | 63.6 | 0 | 0 | 0 | 0 | 114.1 | G2692 C2695 D2723 D2728 | G2692-S2726 WeakPolarHBondContact CA-O 3.45Å; C2695-S2726 VanDerWaalsContact CB-O 3.27Å; C2695-S2726 WeakPolarHBondContact CB-O 3.35Å; D2723-S2726 WeakPolarHBondContact CB-OG 3.3Å; D2723-S2726 PolarHBondContact OD2-OG 3.49Å; S2726-D2728 VanDerWaalsContact C-N 3.3Å; S2726-D2728 WeakPolarHBondContact OG-CB 3.38Å; S2726-D2728 PolarHBondContact OG-N 2.81Å; S2726-D2728 PolarHBondContact OG-OD2 3.45Å |
| 2727 | G | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | 80.7 | 6.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y2696 D2723 | Y2696-G2727 VanDerWaalsContact CA-O 3.28Å; Y2696-G2727 WeakPolarHBondContact CA-O 3.22Å; Y2696-G2727 WeakPolarHBondContact CB-O 3.3Å; Y2696-G2727 PolarHBondContact N-O 3.44Å; D2723-G2727 VanDerWaalsContact O-CA 3.26Å; D2723-G2727 WeakPolarHBondContact O-CA 3.31Å; D2723-G2727 PolarHBondContact O-N 2.94Å | ||
| 2728 | D | 93.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | trans | -63.9 | 136.9 | -179.5 | -67 | -32.8 | 0 | 0 | 0 | 111.8 | T2699 F2722 D2723 S2726 | T2699-D2728 HydrophobicContact CG2-CB 4.13Å; T2699-D2728 WeakPolarHBondContact CG2-OD1 3.34Å; F2722-D2728 WeakPolarHBondContact CA-O 3.38Å; D2723-D2728 HydrophobicContact CB-CB 4.21Å; D2723-D2728 PolarHBondContact N-O 2.99Å; S2726-D2728 VanDerWaalsContact C-N 3.3Å; S2726-D2728 WeakPolarHBondContact OG-CB 3.38Å; S2726-D2728 PolarHBondContact OG-N 2.81Å; S2726-D2728 PolarHBondContact OG-OD2 3.45Å | ||
| 2729 | L | 95.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128 | 167.2 | -178.5 | 149.9 | 0 | 0 | 0 | 109.4 | Y2696 T2699 C2700 M2703 I2720 F2722 H2731 M2758 | Y2696-L2729 HydrophobicContact CD2-CB 4.28Å; Y2696-L2729 HydrophobicContact CD2-CD1 4.34Å; Y2696-L2729 HydrophobicContact CE2-CD1 3.89Å; T2699-L2729 PolarHBondContact OG1-N 3.35Å; C2700-L2729 HydrophobicContact CB-CD1 4.06Å; M2703-L2729 HydrophobicContact CB-CD2 4.29Å; M2703-L2729 HydrophobicContact CG-CD2 4.45Å; I2720-L2729 HydrophobicContact CG2-CD1 3.84Å; I2720-L2729 HydrophobicContact CG2-CD2 4.34Å; I2720-L2729 HydrophobicContact CG2-CG 3.89Å; F2722-L2729 HydrophobicContact CD1-CB 4.42Å; F2722-L2729 HydrophobicContact CE1-CB 4.1Å; F2722-L2729 HydrophobicContact CE1-CD1 3.81Å; F2722-L2729 HydrophobicContact CE1-CG 4.13Å; F2722-L2729 HydrophobicContact CZ-CD1 3.92Å; F2722-L2729 HydrophobicContact CZ-CG 4.46Å; L2729-H2731 WeakPolarHBondContact CD2-CD2 3.5Å; L2729-H2731 VanDerWaalsContact CD2-NE2 3.33Å; L2729-H2731 WeakPolarHBondContact CD2-NE2 3.35Å; L2729-M2758 HydrophobicContact CD1-CE 3.92Å |
| 2730 | V | 95.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 120.2 | -176.3 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | R2602 V2619 T2622 L2721 V2732 | R2602-V2730 HydrophobicContact CB-CG1 4.27Å; R2602-V2730 HydrophobicContact CB-CG2 3.82Å; R2602-V2730 HydrophobicContact CG-CG1 4.3Å; R2602-V2730 HydrophobicContact CG-CG2 3.85Å; V2619-V2730 HydrophobicContact CG1-CG1 4.47Å; V2619-V2730 HydrophobicContact CG2-CG1 4.39Å; T2622-V2730 HydrophobicContact CG2-CG2 4.24Å; L2721-V2730 HydrophobicContact CB-CB 4.3Å; L2721-V2730 PolarHBondContact N-O 3.39Å; L2721-V2730 PolarHBondContact O-N 3.4Å; V2730-V2732 HydrophobicContact CG1-CG1 4.44Å |
| 2731 | H | 94.1 | Very high | 88.9 | Confident | 22 Ų | 22 | 23 Ų | 23 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 139.7 | 170.2 | -75.4 | -131.7 | 0 | 0 | 0 | 109.8 | M2703 L2729 F2734 | M2703-H2731 HydrophobicContact CE-CB 3.93Å; L2729-H2731 WeakPolarHBondContact CD2-CD2 3.5Å; L2729-H2731 VanDerWaalsContact CD2-NE2 3.33Å; L2729-H2731 WeakPolarHBondContact CD2-NE2 3.35Å; H2731-F2734 HydrophobicContact CB-CE1 3.79Å; H2731-F2734 HydrophobicContact CB-CZ 3.62Å; H2731-F2734 WeakPolarHBondContact O-CZ 3.26Å |
| 2732 | V | 91.1 | Very high | 88.4 | Confident | 29 Ų | 29 | 24.8 Ų | 24.8 | 18% | 0.176 | 14% | 0.14 | C | C | . | . | trans | -127.5 | 167.9 | 170.4 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | Y2604 R2715 N2719 L2721 V2730 | Y2604-V2732 HydrophobicContact CE1-CG1 4.16Å; R2715-V2732 PolarHBondContact NH1-O 3.28Å; N2719-V2732 HydrophobicContact CB-CG2 4.5Å; N2719-V2732 PolarHBondContact O-N 2.93Å; L2721-V2732 HydrophobicContact CD1-CG1 3.6Å; L2721-V2732 HydrophobicContact CD1-CG2 4.13Å; L2721-V2732 HydrophobicContact CD2-CG2 4.38Å; L2721-V2732 HydrophobicContact CG-CG1 4.22Å; L2721-V2732 HydrophobicContact CG-CG2 4.13Å; V2730-V2732 HydrophobicContact CG1-CG1 4.44Å | ||
| 2733 | D | 85.9 | Confident | 87.8 | Confident | 38 Ų | 38 | 30.1 Ų | 30.1 | 20% | 0.203 | 17% | 0.172 | C | C | . | . | trans | 55.3 | 91.8 | -178.4 | -159 | -35.3 | 0 | 0 | 0 | 113 | K2566 R2715 S2735 | K2566-D2733 IonicContact NZ-OD1 3.91Å; K2566-D2733 IonicContact NZ-OD2 3.4Å; K2566-D2733 PolarHBondContact NZ-OD2 2.95Å; R2715-D2733 PolarHBondContact NH1-O 2.92Å; R2715-D2733 PolarHBondContact NH2-O 3.36Å; D2733-S2735 WeakPolarHBondContact OD1-CB 3.38Å; D2733-S2735 PolarHBondContact OD1-N 3.19Å; D2733-S2735 PolarHBondContact OD1-OG 3.19Å | ||
| 2734 | F | 84.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | trans | -102.2 | 28.8 | -176.4 | -61.4 | -83.2 | 0 | 0 | 0 | 113.3 | D2574 L2577 M2578 Y2604 M2703 L2712 H2731 C2736 V2737 | D2574-F2734 PolarHBondContact OD1-N 3.46Å; L2577-F2734 HydrophobicContact CD1-CB 3.38Å; L2577-F2734 HydrophobicContact CD1-CD1 4.42Å; L2577-F2734 HydrophobicContact CD1-CG 4.06Å; M2578-F2734 HydrophobicContact CE-CD2 3.76Å; M2578-F2734 HydrophobicContact CE-CE2 3.21Å; M2578-F2734 HydrophobicContact CE-CZ 3.83Å; Y2604-F2734 HydrophobicContact CE1-CE2 4.36Å; Y2604-F2734 VanDerWaalsContact OH-CE2 3.26Å; Y2604-F2734 WeakPolarHBondContact OH-CE2 3.49Å; M2703-F2734 HydrophobicContact CE-CE1 4.22Å; M2703-F2734 HydrophobicContact CE-CZ 4.48Å; L2712-F2734 HydrophobicContact CD1-CD1 3.85Å; L2712-F2734 HydrophobicContact CD1-CE1 3.74Å; L2712-F2734 HydrophobicContact CD2-CD1 3.76Å; L2712-F2734 HydrophobicContact CD2-CE1 4.5Å; L2712-F2734 HydrophobicContact CG-CD1 4.47Å; H2731-F2734 HydrophobicContact CB-CE1 3.79Å; H2731-F2734 HydrophobicContact CB-CZ 3.62Å; H2731-F2734 WeakPolarHBondContact O-CZ 3.26Å; F2734-C2736 VanDerWaalsContact C-N 3.28Å; F2734-C2736 PolarHBondContact O-N 3.06Å; F2734-V2737 VanDerWaalsContact O-CG1 3.26Å; F2734-V2737 WeakPolarHBondContact O-CG1 3.43Å | ||
| 2735 | S | 79.3 | Confident | 87 | Confident | 40 Ų | 40 | 36.9 Ų | 36.9 | 28% | 0.28 | 21% | 0.212 | S | C | . | . | trans | -60.6 | -35.8 | 178.8 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | D2733 | D2733-S2735 WeakPolarHBondContact OD1-CB 3.38Å; D2733-S2735 PolarHBondContact OD1-N 3.19Å; D2733-S2735 PolarHBondContact OD1-OG 3.19Å | ||
| 2736 | C | 83.2 | Confident | 86.9 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -96.2 | 92.2 | -178.1 | -172.1 | 0 | 0 | 0 | 0 | 112.5 | L2712 G2713 D2714 F2734 N2740 G2741 | L2712-C2736 WeakPolarHBondContact CA-O 3.16Å; G2713-C2736 PolarHBondContact N-O 3.43Å; D2714-C2736 HydrophobicContact CB-CB 3.83Å; F2734-C2736 VanDerWaalsContact C-N 3.28Å; F2734-C2736 PolarHBondContact O-N 3.06Å; C2736-N2740 VanDerWaalsContact SG-C 3.52Å; C2736-G2741 PolarHBondContact SG-N 2.94Å |
| 2737 | V | 83.1 | Confident | 86.9 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | trans | -123.3 | 172.1 | -179.3 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | L2577 G2711 L2712 F2734 N2739 N2740 | L2577-V2737 HydrophobicContact CD1-CG1 3.47Å; L2577-V2737 VanDerWaalsContact CD1-CG1 3.47Å; G2711-V2737 CarbonylContact O-C 3.57Å; L2712-V2737 HydrophobicContact CD2-CB 4.45Å; L2712-V2737 HydrophobicContact CD2-CG1 3.43Å; L2712-V2737 VanDerWaalsContact CD2-CG1 3.43Å; F2734-V2737 VanDerWaalsContact O-CG1 3.26Å; F2734-V2737 WeakPolarHBondContact O-CG1 3.43Å; V2737-N2739 PolarHBondContact O-N 3.37Å; V2737-N2740 VanDerWaalsContact O-CB 3.28Å; V2737-N2740 WeakPolarHBondContact O-CB 3.36Å; V2737-N2740 PolarHBondContact O-N 3.4Å; V2737-N2740 PolarHBondContact O-ND2 3.21Å; V2737-N2740 PolarHBondContact O-OD1 3.31Å | ||
| 2738 | F | 80.4 | Confident | 86.8 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 41.7 | 177.7 | -51.6 | -62.6 | 0 | 0 | 0 | 114.3 | L2710 G2711 N2740 F2793 I2796 K2850 M2854 | L2710-F2738 VanDerWaalsContact O-CA 3.31Å; L2710-F2738 WeakPolarHBondContact O-CA 3.26Å; L2710-F2738 PolarHBondContact O-N 2.91Å; G2711-F2738 PolarHBondContact O-N 3.42Å; F2738-N2740 PolarHBondContact O-N 3.5Å; F2738-F2793 HydrophobicContact CE1-CD1 4.05Å; F2738-F2793 HydrophobicContact CE1-CE1 4.43Å; F2738-F2793 AromaticContact CZ-CD1 3.87Å; F2738-F2793 HydrophobicContact CZ-CD1 3.87Å; F2738-F2793 HydrophobicContact CZ-CE1 4.33Å; F2738-I2796 HydrophobicContact CE2-CG2 4.25Å; F2738-I2796 HydrophobicContact CZ-CD1 4.47Å; F2738-K2850 HydrophobicContact CB-CB 4.32Å; F2738-K2850 HydrophobicContact CB-CD 3.85Å; F2738-K2850 HydrophobicContact CB-CG 4.25Å; F2738-K2850 HydrophobicContact CG-CB 4.49Å; F2738-K2850 HydrophobicContact CG-CD 4.36Å; F2738-M2854 HydrophobicContact CE1-SD 4.47Å |
| 2739 | N | 81.8 | Confident | 86.6 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 20.1 | -177.6 | -64.8 | 6.1 | 0 | 0 | 0 | 114 | G2711 V2737 G2741 L2742 R2857 | G2711-N2739 WeakPolarHBondContact CA-OD1 3.4Å; G2711-N2739 PolarHBondContact O-N 3.44Å; V2737-N2739 PolarHBondContact O-N 3.37Å; N2739-G2741 PolarHBondContact O-N 3.14Å; N2739-L2742 HydrophobicContact CB-CD1 4.02Å; N2739-L2742 HydrophobicContact CB-CG 4.5Å; N2739-L2742 WeakPolarHBondContact O-CB 3.15Å; N2739-L2742 PolarHBondContact O-N 3.37Å; N2739-R2857 PolarHBondContact ND2-NH1 3.27Å; N2739-R2857 PolarHBondContact OD1-NH1 3.12Å |
| 2740 | N | 82.5 | Confident | 86.4 | Confident | 42 Ų | 42 | 39.9 Ų | 39.9 | 23% | 0.225 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -60.5 | -17.2 | 171.9 | -70.2 | -8.9 | 0 | 0 | 0 | 111.9 | C2736 V2737 F2738 L2742 T2743 L2744 K2850 | C2736-N2740 VanDerWaalsContact SG-C 3.52Å; V2737-N2740 VanDerWaalsContact O-CB 3.28Å; V2737-N2740 WeakPolarHBondContact O-CB 3.36Å; V2737-N2740 PolarHBondContact O-N 3.4Å; V2737-N2740 PolarHBondContact O-ND2 3.21Å; V2737-N2740 PolarHBondContact O-OD1 3.31Å; F2738-N2740 PolarHBondContact O-N 3.5Å; N2740-L2742 PolarHBondContact O-N 3.07Å; N2740-T2743 WeakPolarHBondContact CA-OG1 3.39Å; N2740-T2743 WeakPolarHBondContact O-CA 3.44Å; N2740-T2743 PolarHBondContact O-N 3.03Å; N2740-T2743 PolarHBondContact O-OG1 3.41Å; N2740-L2744 PolarHBondContact O-N 2.72Å; N2740-K2850 PolarHBondContact OD1-NZ 3.15Å |
| 2741 | G | 83 | Confident | 86.3 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -60.3 | -29.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C2736 N2739 T2743 E2748 | C2736-G2741 PolarHBondContact SG-N 2.94Å; N2739-G2741 PolarHBondContact O-N 3.14Å; G2741-T2743 VanDerWaalsContact C-N 3.26Å; G2741-T2743 PolarHBondContact O-N 3.15Å; G2741-E2748 PolarHBondContact O-N 3.43Å |
| 2742 | L | 85.7 | Confident | 86.3 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -75.9 | -16.5 | 173.9 | -61.6 | 171.9 | 0 | 0 | 0 | 112.7 | N2739 N2740 E2748 E2864 | N2739-L2742 HydrophobicContact CB-CD1 4.02Å; N2739-L2742 HydrophobicContact CB-CG 4.5Å; N2739-L2742 WeakPolarHBondContact O-CB 3.15Å; N2739-L2742 PolarHBondContact O-N 3.37Å; N2740-L2742 PolarHBondContact O-N 3.07Å; L2742-E2748 WeakPolarHBondContact CD2-O 3.46Å; L2742-E2864 WeakPolarHBondContact CD1-OE1 2.92Å |
| 2743 | T | 84.2 | Confident | 86.4 | Confident | 111 Ų | 111 | 39.5 Ų | 39.5 | 68% | 0.681 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -97.2 | -2.1 | 179.1 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | N2740 G2741 | N2740-T2743 WeakPolarHBondContact CA-OG1 3.39Å; N2740-T2743 WeakPolarHBondContact O-CA 3.44Å; N2740-T2743 PolarHBondContact O-N 3.03Å; N2740-T2743 PolarHBondContact O-OG1 3.41Å; G2741-T2743 VanDerWaalsContact C-N 3.26Å; G2741-T2743 PolarHBondContact O-N 3.15Å |
| 2744 | L | 85.1 | Confident | 86.7 | Confident | 61 Ų | 61 | 37.7 Ų | 37.7 | 32% | 0.319 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -62.3 | 153.8 | 172.9 | -68.3 | 174.6 | 0 | 0 | 0 | 110.4 | N2740 W2746 E2748 | N2740-L2744 PolarHBondContact O-N 2.72Å; L2744-W2746 WeakPolarHBondContact CB-O 3.38Å; L2744-W2746 CarbonylContact O-C 3.43Å; L2744-W2746 PolarHBondContact O-N 3.14Å; L2744-E2748 HydrophobicContact CD1-CG 4.32Å |
| 2745 | P | 86.4 | Confident | 87 | Confident | 121 Ų | 121 | 37.6 Ų | 37.6 | 79% | 0.786 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -52.4 | -33.2 | 177 | -26.5 | 34 | 0 | 0 | 0 | 112.8 | ||
| 2746 | W | 88.7 | Confident | 87.3 | Confident | 46 Ų | 46 | 38.2 Ų | 38.2 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -113.9 | 107.8 | 166.5 | -163 | -60.2 | 0 | 0 | 0 | 108.5 | L2652 L2744 Q2895 Y2897 | L2652-W2746 VanDerWaalsContact CA-CH2 3.43Å; L2652-W2746 HydrophobicContact CB-CE3 3.81Å; L2652-W2746 HydrophobicContact CB-CH2 3.9Å; L2652-W2746 HydrophobicContact CB-CZ3 3.44Å; L2652-W2746 VanDerWaalsContact CB-CZ3 3.44Å; L2652-W2746 HydrophobicContact CD1-CD2 3.69Å; L2652-W2746 HydrophobicContact CD1-CE3 3.77Å; L2652-W2746 HydrophobicContact CD1-CG 4.21Å; L2652-W2746 HydrophobicContact CD1-CH2 4.28Å; L2652-W2746 HydrophobicContact CD1-CZ2 4.18Å; L2652-W2746 HydrophobicContact CD1-CZ3 4.09Å; L2652-W2746 HydrophobicContact CD2-CE3 4.4Å; L2652-W2746 HydrophobicContact CG-CE3 4.19Å; L2652-W2746 HydrophobicContact CG-CZ3 4.28Å; L2652-W2746 VanDerWaalsContact N-CH2 3.28Å; L2744-W2746 WeakPolarHBondContact CB-O 3.38Å; L2744-W2746 CarbonylContact O-C 3.43Å; L2744-W2746 PolarHBondContact O-N 3.14Å; W2746-Q2895 PolarHBondContact NE1-O 3.34Å; W2746-Y2897 AromaticContact CD2-CD2 3.99Å; W2746-Y2897 HydrophobicContact CD2-CD2 3.99Å; W2746-Y2897 HydrophobicContact CD2-CG 4.47Å; W2746-Y2897 AromaticContact CE3-CD2 3.84Å; W2746-Y2897 HydrophobicContact CE3-CD2 3.84Å; W2746-Y2897 HydrophobicContact CG-CD2 4.3Å; W2746-Y2897 HydrophobicContact CG-CG 4.37Å; W2746-Y2897 HydrophobicContact CZ3-CD2 4.36Å |
| 2747 | P | 89.2 | Confident | 87.6 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | trans | -69.6 | 133.8 | -173.1 | 26.8 | -34.1 | 0 | 0 | 0 | 111.6 | R2749 | P2747-R2749 PolarHBondContact O-N 3.42Š| ||
| 2748 | E | 90.3 | Very high | 88 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | trans | -81 | 106 | 171.8 | -69.8 | -170.3 | 162 | 0 | 0 | 110.1 | G2713 D2714 R2715 G2741 L2742 L2744 M2896 W2900 | G2713-E2748 WeakPolarHBondContact CA-OE2 3.47Å; D2714-E2748 VanDerWaalsContact CA-OE1 3.25Å; D2714-E2748 WeakPolarHBondContact CA-OE1 3.39Å; D2714-E2748 VanDerWaalsContact N-CD 3.26Å; D2714-E2748 PolarHBondContact N-OE1 3.01Å; D2714-E2748 PolarHBondContact N-OE2 2.79Å; R2715-E2748 PolarHBondContact N-OE1 2.91Å; G2741-E2748 PolarHBondContact O-N 3.43Å; L2742-E2748 WeakPolarHBondContact CD2-O 3.46Å; L2744-E2748 HydrophobicContact CD1-CG 4.32Å; E2748-M2896 HydrophobicContact CB-CE 3.76Å; E2748-M2896 HydrophobicContact CB-SD 4.49Å; E2748-M2896 HydrophobicContact CG-CE 3.76Å; E2748-W2900 VanDerWaalsContact OE1-CD1 3.22Å | ||
| 2749 | R | 89.5 | Confident | 88.5 | Confident | 113 Ų | 113 | 36.9 Ų | 36.9 | 43% | 0.426 | 19% | 0.194 | S | C | . | . | trans | -87.9 | -19.4 | -170.9 | -63 | -67.2 | -169.7 | -176.7 | -1.5 | 115.1 | P2747 R2892 Q2895 M2896 | P2747-R2749 PolarHBondContact O-N 3.42Å; R2749-R2892 HydrophobicContact CB-CB 4.42Å; R2749-Q2895 HydrophobicContact CG-CB 4.25Å; R2749-M2896 HydrophobicContact CB-SD 4.4Å; R2749-M2896 PolarHBondContact N-SD 3.46Å | ||
| 2750 | V | 91.6 | Very high | 88.7 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 9% | 0.085 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -85.6 | 144.2 | 179 | -64.3 | 0 | 0 | 0 | 0 | 110.4 | F2752 R2892 L2893 M2896 W2900 | V2750-F2752 VanDerWaalsContact C-N 3.3Å; V2750-F2752 PolarHBondContact O-N 2.92Å; V2750-R2892 HydrophobicContact CG1-CB 3.78Å; V2750-L2893 HydrophobicContact CG1-CD2 4.04Å; V2750-L2893 HydrophobicContact CG1-CG 4.29Å; V2750-M2896 HydrophobicContact CG1-SD 4.4Å; V2750-M2896 HydrophobicContact CG2-CE 3.74Å; V2750-M2896 HydrophobicContact CG2-SD 3.98Å; V2750-W2900 HydrophobicContact CG2-CH2 3.85Å; V2750-W2900 HydrophobicContact CG2-CZ2 3.71Å |
| 2751 | P | 91.5 | Very high | 89 | Confident | 24 Ų | 24 | 36.4 Ų | 36.4 | 16% | 0.156 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -67.3 | -31.5 | -178 | 25.9 | -34.7 | 0 | 0 | 0 | 113 | Y2708 L2883 E2886 A2887 | Y2708-P2751 HydrophobicContact CD2-CB 3.76Å; Y2708-P2751 HydrophobicContact CE2-CB 4.38Å; P2751-L2883 HydrophobicContact CB-CD2 4.03Å; P2751-L2883 HydrophobicContact CG-CD2 4.26Å; P2751-E2886 HydrophobicContact CG-CB 3.93Å; P2751-A2887 HydrophobicContact CG-CB 4.13Å |
| 2752 | F | 94.2 | Very high | 89.3 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 6% | 0.057 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -158.1 | 168.3 | 173.2 | 52.5 | -96.3 | 0 | 0 | 0 | 109.9 | S2704 M2705 V2750 L2754 F2771 L2883 A2887 | S2704-F2752 WeakPolarHBondContact OG-CD2 3.39Å; M2705-F2752 HydrophobicContact CE-CD1 4.36Å; M2705-F2752 HydrophobicContact CE-CE1 3.55Å; M2705-F2752 HydrophobicContact CE-CZ 3.88Å; V2750-F2752 VanDerWaalsContact C-N 3.3Å; V2750-F2752 PolarHBondContact O-N 2.92Å; F2752-L2754 HydrophobicContact CD2-CB 3.97Å; F2752-L2754 HydrophobicContact CE2-CB 3.75Å; F2752-L2754 HydrophobicContact CE2-CD2 3.97Å; F2752-L2754 HydrophobicContact CE2-CG 4.41Å; F2752-L2754 PolarHBondContact O-N 3.15Å; F2752-F2771 HydrophobicContact CE2-CE1 4.45Å; F2752-F2771 AromaticContact CE2-CZ 3.88Å; F2752-F2771 HydrophobicContact CE2-CZ 3.88Å; F2752-F2771 HydrophobicContact CZ-CZ 4.28Å; F2752-L2883 HydrophobicContact CE1-CB 4Å; F2752-A2887 HydrophobicContact CD2-CB 3.9Å; F2752-A2887 HydrophobicContact CE1-CB 4.38Å; F2752-A2887 HydrophobicContact CE2-CB 3.55Å; F2752-A2887 HydrophobicContact CG-CB 4.44Å; F2752-A2887 HydrophobicContact CZ-CB 3.81Å |
| 2753 | R | 93.7 | Very high | 89.2 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | trans | -80.9 | 106.4 | -179.4 | -170.9 | 171.1 | -163.9 | -66.6 | -8.4 | 110.8 | R2715 I2720 T2755 M2758 W2900 M2901 L2904 | R2715-R2753 WeakPolarHBondContact O-CD 3.39Å; I2720-R2753 HydrophobicContact CD1-CB 4.2Å; I2720-R2753 HydrophobicContact CD1-CG 4.34Å; R2753-T2755 HydrophobicContact CG-CG2 4.1Å; R2753-T2755 PolarHBondContact NH1-OG1 3.2Å; R2753-T2755 VanDerWaalsContact NH1-OG1 3.15Å; R2753-M2758 HydrophobicContact CB-SD 4.49Å; R2753-M2758 HydrophobicContact CG-SD 3.83Å; R2753-M2758 PolarHBondContact NH1-SD 3.48Å; R2753-M2758 WeakPolarHBondContact O-CE 3.33Å; R2753-W2900 HydrophobicContact CB-CH2 4.04Å; R2753-W2900 HydrophobicContact CB-CZ2 3.58Å; R2753-W2900 HydrophobicContact CG-CH2 3.58Å; R2753-W2900 HydrophobicContact CG-CZ2 3.48Å; R2753-W2900 VanDerWaalsContact CG-CZ2 3.48Å; R2753-W2900 HydrophobicContact CG-CZ3 4.41Å; R2753-M2901 PolarHBondContact NH2-O 2.98Å; R2753-M2901 VanDerWaalsContact NH2-O 3.08Å; R2753-L2904 PolarHBondContact NH2-OXT 2.93Å | ||
| 2754 | L | 92.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | trans | -136.6 | 75.2 | 171.8 | -171.8 | 63.9 | 0 | 0 | 0 | 110 | F2752 V2759 M2762 Y2767 F2771 I2884 A2887 T2888 | F2752-L2754 HydrophobicContact CD2-CB 3.97Å; F2752-L2754 HydrophobicContact CE2-CB 3.75Å; F2752-L2754 HydrophobicContact CE2-CD2 3.97Å; F2752-L2754 HydrophobicContact CE2-CG 4.41Å; F2752-L2754 PolarHBondContact O-N 3.15Å; L2754-V2759 HydrophobicContact CD1-CG2 3.71Å; L2754-V2759 HydrophobicContact CD2-CG2 4.29Å; L2754-V2759 HydrophobicContact CG-CG2 3.61Å; L2754-M2762 HydrophobicContact CD1-CE 3.73Å; L2754-Y2767 HydrophobicContact CD2-CD1 4.27Å; L2754-F2771 HydrophobicContact CD1-CE2 4.32Å; L2754-F2771 HydrophobicContact CD1-CZ 4.31Å; L2754-F2771 HydrophobicContact CD2-CE1 3.99Å; L2754-F2771 HydrophobicContact CD2-CZ 4.12Å; L2754-I2884 HydrophobicContact CD2-CG2 4.46Å; L2754-A2887 HydrophobicContact CB-CB 3.89Å; L2754-T2888 HydrophobicContact CD2-CG2 3.89Å; L2754-T2888 HydrophobicContact CG-CG2 4.12Å | ||
| 2755 | T | 90.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | trans | -89.2 | 169.9 | -175.9 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | R2753 N2757 M2758 V2759 L2893 W2900 L2904 | R2753-T2755 HydrophobicContact CG-CG2 4.1Å; R2753-T2755 PolarHBondContact NH1-OG1 3.2Å; R2753-T2755 VanDerWaalsContact NH1-OG1 3.15Å; T2755-N2757 VanDerWaalsContact C-N 3.35Å; T2755-N2757 PolarHBondContact O-N 3.37Å; T2755-M2758 WeakPolarHBondContact O-CB 3.45Å; T2755-M2758 PolarHBondContact O-N 2.92Å; T2755-V2759 WeakPolarHBondContact O-CG2 3.36Å; T2755-V2759 PolarHBondContact O-N 3.42Å; T2755-L2893 HydrophobicContact CG2-CD2 4.32Å; T2755-W2900 HydrophobicContact CG2-CH2 3.83Å; T2755-W2900 HydrophobicContact CG2-CZ3 3.65Å; T2755-L2904 VanDerWaalsContact CB-C 3.45Å; T2755-L2904 WeakPolarHBondContact CB-O 3.49Å; T2755-L2904 WeakPolarHBondContact CB-OXT 3.35Å; T2755-L2904 VanDerWaalsContact CG2-OXT 3.28Å; T2755-L2904 WeakPolarHBondContact CG2-OXT 3.14Å; T2755-L2904 PolarHBondContact OG1-O 2.84Å; T2755-L2904 PolarHBondContact OG1-OXT 2.98Å | ||
| 2756 | R | 86.4 | Confident | 88.3 | Confident | 54 Ų | 54 | 22.7 Ų | 22.7 | 20% | 0.204 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.1 | -35.6 | -173.7 | 72.5 | 166.4 | -177.2 | -170.6 | -11.4 | 114.6 | L2668 F2671 L2673 M2758 H2760 | L2668-R2756 PolarHBondContact O-NH2 3.2Å; F2671-R2756 PolarHBondContact O-NH2 3.28Å; L2673-R2756 HydrophobicContact CD2-CB 4.12Å; L2673-R2756 HydrophobicContact CD2-CG 3.5Å; L2673-R2756 VanDerWaalsContact CD2-CG 3.5Å; R2756-M2758 VanDerWaalsContact C-N 3.32Å; R2756-H2760 WeakPolarHBondContact O-CB 3.39Å; R2756-H2760 PolarHBondContact O-N 3.18Å |
| 2757 | N | 89.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.6 | -36.5 | 176.2 | -82.4 | -87 | 0 | 0 | 0 | 111.1 | L2673 V2674 F2675 T2755 A2761 L2904 | L2673-N2757 WeakPolarHBondContact CA-OD1 3.5Å; L2673-N2757 HydrophobicContact CD2-CB 4.47Å; V2674-N2757 PolarHBondContact N-OD1 3.06Å; F2675-N2757 HydrophobicContact CB-CB 3.91Å; F2675-N2757 PolarHBondContact N-OD1 2.86Å; T2755-N2757 VanDerWaalsContact C-N 3.35Å; T2755-N2757 PolarHBondContact O-N 3.37Å; N2757-A2761 WeakPolarHBondContact O-CB 3.01Å; N2757-A2761 PolarHBondContact O-N 3.16Å; N2757-A2761 VanDerWaalsContact O-N 3.08Å; N2757-L2904 WeakPolarHBondContact CA-O 3.44Å; N2757-L2904 WeakPolarHBondContact CB-O 3.27Å; N2757-L2904 PolarHBondContact N-O 3.24Å; N2757-L2904 WeakPolarHBondContact ND2-CA 3.23Å; N2757-L2904 PolarHBondContact ND2-O 3.33Å |
| 2758 | M | 92.2 | Very high | 88 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65 | -50 | 175.7 | -71.7 | -175.4 | 69.1 | 0 | 0 | 110.6 | F2625 Y2696 C2700 L2729 R2753 T2755 R2756 H2760 A2761 M2762 | F2625-M2758 HydrophobicContact CZ-CG 4.34Å; Y2696-M2758 HydrophobicContact CE2-CE 4.5Å; Y2696-M2758 VanDerWaalsContact OH-CA 3.25Å; Y2696-M2758 WeakPolarHBondContact OH-CA 3.43Å; Y2696-M2758 VanDerWaalsContact OH-CB 3.24Å; Y2696-M2758 WeakPolarHBondContact OH-CB 3.13Å; Y2696-M2758 PolarHBondContact OH-O 3.38Å; Y2696-M2758 VanDerWaalsContact OH-O 3.07Å; C2700-M2758 VanDerWaalsContact SG-CE 3.54Å; L2729-M2758 HydrophobicContact CD1-CE 3.92Å; R2753-M2758 HydrophobicContact CB-SD 4.49Å; R2753-M2758 HydrophobicContact CG-SD 3.83Å; R2753-M2758 PolarHBondContact NH1-SD 3.48Å; R2753-M2758 WeakPolarHBondContact O-CE 3.33Å; T2755-M2758 WeakPolarHBondContact O-CB 3.45Å; T2755-M2758 PolarHBondContact O-N 2.92Å; R2756-M2758 VanDerWaalsContact C-N 3.32Å; M2758-H2760 PolarHBondContact O-N 2.8Å; M2758-A2761 PolarHBondContact O-N 3.23Å; M2758-M2762 PolarHBondContact O-N 3.38Å |
| 2759 | V | 90.1 | Very high | 87.8 | Confident | 17 Ų | 17 | 19.7 Ų | 19.7 | 10% | 0.103 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 178.4 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | L2754 T2755 A2761 M2762 Y2767 T2888 | L2754-V2759 HydrophobicContact CD1-CG2 3.71Å; L2754-V2759 HydrophobicContact CD2-CG2 4.29Å; L2754-V2759 HydrophobicContact CG-CG2 3.61Å; T2755-V2759 WeakPolarHBondContact O-CG2 3.36Å; T2755-V2759 PolarHBondContact O-N 3.42Å; V2759-A2761 VanDerWaalsContact C-N 3.27Å; V2759-A2761 PolarHBondContact O-N 2.9Å; V2759-M2762 WeakPolarHBondContact O-CB 3.43Å; V2759-M2762 PolarHBondContact O-N 3.48Å; V2759-Y2767 HydrophobicContact CG1-CD1 4Å; V2759-Y2767 HydrophobicContact CG2-CD1 4.17Å; V2759-T2888 HydrophobicContact CG2-CG2 4.5Å |
| 2760 | H | 85.8 | Confident | 87.8 | Confident | 62 Ų | 62 | 14.6 Ų | 14.6 | 29% | 0.287 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -63.7 | -32.5 | 179.8 | -176.4 | -81.7 | 0 | 0 | 0 | 112.9 | L2673 Y2676 R2756 M2758 M2762 G2763 | L2673-H2760 HydrophobicContact CD1-CB 3.95Å; L2673-H2760 WeakPolarHBondContact CD1-CD2 3.47Å; L2673-H2760 HydrophobicContact CD2-CB 4.29Å; Y2676-H2760 AromaticContact CD1-CE1 3.3Å; Y2676-H2760 WeakPolarHBondContact CD1-CE1 3.48Å; Y2676-H2760 AromaticContact CD1-ND1 3.41Å; Y2676-H2760 WeakPolarHBondContact CD1-ND1 3.27Å; Y2676-H2760 AromaticContact CE1-CE1 3.78Å; Y2676-H2760 AromaticContact CG-CE1 3.71Å; Y2676-H2760 AromaticContact CG-ND1 3.79Å; R2756-H2760 WeakPolarHBondContact O-CB 3.39Å; R2756-H2760 PolarHBondContact O-N 3.18Å; M2758-H2760 PolarHBondContact O-N 2.8Å; H2760-M2762 PolarHBondContact O-N 3.12Å; H2760-G2763 PolarHBondContact O-N 3.13Å |
| 2761 | A | 89.3 | Confident | 87.9 | Confident | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.033 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.1 | -15.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F2675 F2679 Y2696 N2757 M2758 V2759 G2763 | F2675-A2761 HydrophobicContact CB-CB 4.25Å; F2675-A2761 HydrophobicContact CD1-CB 3.35Å; F2675-A2761 HydrophobicContact CE1-CB 3.95Å; F2675-A2761 HydrophobicContact CG-CB 4.07Å; F2679-A2761 HydrophobicContact CD2-CB 4.26Å; F2679-A2761 HydrophobicContact CE2-CB 3.94Å; Y2696-A2761 HydrophobicContact CE1-CB 4.09Å; N2757-A2761 WeakPolarHBondContact O-CB 3.01Å; N2757-A2761 PolarHBondContact O-N 3.16Å; N2757-A2761 VanDerWaalsContact O-N 3.08Å; M2758-A2761 PolarHBondContact O-N 3.23Å; V2759-A2761 VanDerWaalsContact C-N 3.27Å; V2759-A2761 PolarHBondContact O-N 2.9Å; A2761-G2763 PolarHBondContact O-N 3.12Å |
| 2762 | M | 88.5 | Confident | 88 | Confident | 7 Ų | 7 | 13.9 Ų | 13.9 | 3% | 0.034 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.8 | 173.1 | -59.6 | 176.8 | -178.8 | 0 | 0 | 112.6 | Y2696 C2700 L2754 M2758 V2759 H2760 G2766 F2771 | Y2696-M2762 HydrophobicContact CD1-CG 4.43Å; Y2696-M2762 HydrophobicContact CE1-CE 4.25Å; Y2696-M2762 HydrophobicContact CE1-CG 3.75Å; C2700-M2762 HydrophobicContact CB-CE 4.41Å; L2754-M2762 HydrophobicContact CD1-CE 3.73Å; M2758-M2762 PolarHBondContact O-N 3.38Å; V2759-M2762 WeakPolarHBondContact O-CB 3.43Å; V2759-M2762 PolarHBondContact O-N 3.48Å; H2760-M2762 PolarHBondContact O-N 3.12Å; M2762-G2766 WeakPolarHBondContact CB-O 3.31Å; M2762-F2771 HydrophobicContact CE-CB 4.33Å; M2762-F2771 HydrophobicContact CE-CD2 3.52Å; M2762-F2771 HydrophobicContact CE-CE2 4.09Å; M2762-F2771 HydrophobicContact CE-CG 4.09Å; M2762-F2771 HydrophobicContact SD-CB 3.8Å; M2762-F2771 HydrophobicContact SD-CD2 4.13Å; M2762-F2771 HydrophobicContact SD-CG 4.1Å |
| 2763 | G | 83.7 | Confident | 87.9 | Confident | 16 Ų | 16 | 16.4 Ų | 16.4 | 17% | 0.165 | 8% | 0.082 | C | C | . | . | trans | 105.1 | -169 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H2760 A2761 T2765 G2766 | H2760-G2763 PolarHBondContact O-N 3.13Å; A2761-G2763 PolarHBondContact O-N 3.12Å; G2763-T2765 VanDerWaalsContact C-N 3.26Å; G2763-T2765 PolarHBondContact O-N 3.15Å; G2763-G2766 PolarHBondContact O-N 3.27Å | ||
| 2764 | P | 76.8 | Confident | 88 | Confident | 27 Ų | 27 | 16 Ų | 16 | 18% | 0.175 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.9 | -172.6 | 27.4 | -35.2 | 0 | 0 | 0 | 113.5 | G2766 | P2764-G2766 VanDerWaalsContact C-N 3.26Å; P2764-G2766 PolarHBondContact O-N 3.21Å |
| 2765 | T | 78.8 | Confident | 88.1 | Confident | 10 Ų | 10 | 16 Ų | 16 | 6% | 0.061 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -12.4 | 175.2 | 58.5 | 0 | 0 | 0 | 0 | 113 | G1808 V1809 G2763 Y2767 E2768 | G1808-T2765 VanDerWaalsContact C-CG2 3.44Å; V1809-T2765 HydrophobicContact CB-CG2 4.31Å; V1809-T2765 HydrophobicContact CG2-CG2 3.49Å; V1809-T2765 VanDerWaalsContact CG2-CG2 3.49Å; G2763-T2765 VanDerWaalsContact C-N 3.26Å; G2763-T2765 PolarHBondContact O-N 3.15Å; T2765-Y2767 PolarHBondContact O-N 3.12Å; T2765-E2768 PolarHBondContact O-N 3.21Å; T2765-E2768 VanDerWaalsContact O-N 3.1Å |
| 2766 | G | 83 | Confident | 88.4 | Confident | 8 Ų | 8 | 16.7 Ų | 16.7 | 8% | 0.082 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | 51.7 | -128.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.1 | M2762 G2763 P2764 | M2762-G2766 WeakPolarHBondContact CB-O 3.31Å; G2763-G2766 PolarHBondContact O-N 3.27Å; P2764-G2766 VanDerWaalsContact C-N 3.26Å; P2764-G2766 PolarHBondContact O-N 3.21Å |
| 2767 | Y | 88.1 | Confident | 88.7 | Confident | 5 Ų | 5 | 14.4 Ų | 14.4 | 2% | 0.02 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -81.6 | -14.3 | 179.8 | 55.9 | -110.8 | 0 | 0 | 0 | 114.5 | L2754 V2759 T2765 G2769 R2772 I2884 T2888 | L2754-Y2767 HydrophobicContact CD2-CD1 4.27Å; V2759-Y2767 HydrophobicContact CG1-CD1 4Å; V2759-Y2767 HydrophobicContact CG2-CD1 4.17Å; T2765-Y2767 PolarHBondContact O-N 3.12Å; Y2767-G2769 VanDerWaalsContact C-N 3.26Å; Y2767-G2769 PolarHBondContact O-N 3.49Å; Y2767-R2772 WeakPolarHBondContact O-CB 3.45Å; Y2767-R2772 PolarHBondContact O-N 3.1Å; Y2767-I2884 HydrophobicContact CD1-CG2 4Å; Y2767-I2884 HydrophobicContact CD2-CD1 4.45Å; Y2767-I2884 HydrophobicContact CD2-CG2 3.5Å; Y2767-I2884 HydrophobicContact CE1-CG2 4Å; Y2767-I2884 HydrophobicContact CE2-CG2 3.53Å; Y2767-I2884 HydrophobicContact CG-CG2 3.76Å; Y2767-T2888 HydrophobicContact CD1-CG2 4.18Å; Y2767-T2888 HydrophobicContact CE1-CG2 3.89Å |
| 2768 | E | 81.9 | Confident | 89 | Confident | 27 Ų | 27 | 14.4 Ų | 14.4 | 13% | 0.126 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -74.4 | -9.9 | -172.2 | -75.9 | -64.9 | 153.4 | 0 | 0 | 115.1 | G1808 S1811 T2765 R2772 | G1808-E2768 WeakPolarHBondContact CA-O 3.35Å; S1811-E2768 VanDerWaalsContact OG-CB 3.3Å; S1811-E2768 WeakPolarHBondContact OG-CB 3.36Å; T2765-E2768 PolarHBondContact O-N 3.21Å; T2765-E2768 VanDerWaalsContact O-N 3.1Å; E2768-R2772 VanDerWaalsContact CD-NE 3.29Å; E2768-R2772 IonicContact OE1-CZ 3.7Å; E2768-R2772 IonicContact OE1-NE 3.47Å; E2768-R2772 PolarHBondContact OE1-NE 2.94Å; E2768-R2772 IonicContact OE1-NH2 3.44Å; E2768-R2772 PolarHBondContact OE1-NH2 2.93Å; E2768-R2772 WeakPolarHBondContact OE2-CD 3.17Å; E2768-R2772 IonicContact OE2-CZ 2.93Å; E2768-R2772 IonicContact OE2-NE 2.82Å; E2768-R2772 PolarHBondContact OE2-NE 3.21Å; E2768-R2772 IonicContact OE2-NH2 2.71Å |
| 2769 | G | 85.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -118.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1804 Y2767 F2771 R2772 R2773 | D1804-G2769 CarbonylContact O-C 3.52Å; D1804-G2769 VanDerWaalsContact O-CA 3.24Å; D1804-G2769 WeakPolarHBondContact O-CA 3.36Å; Y2767-G2769 VanDerWaalsContact C-N 3.26Å; Y2767-G2769 PolarHBondContact O-N 3.49Å; G2769-F2771 VanDerWaalsContact C-N 3.26Å; G2769-F2771 PolarHBondContact O-N 3.29Å; G2769-F2771 VanDerWaalsContact O-N 3.16Å; G2769-R2772 PolarHBondContact O-N 3.24Å; G2769-R2773 PolarHBondContact O-N 3.41Å; G2769-R2773 VanDerWaalsContact O-N 3.14Å |
| 2770 | T | 90.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 18.1 Ų | 18.1 | 4% | 0.037 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -47.3 | -45.6 | -179 | -48.2 | 0 | 0 | 0 | 0 | 112.9 | E2694 A2697 R2698 C2774 | E2694-T2770 PolarHBondContact OE1-OG1 3.24Å; E2694-T2770 VanDerWaalsContact OE2-CG2 3.22Å; E2694-T2770 WeakPolarHBondContact OE2-CG2 3.17Å; A2697-T2770 HydrophobicContact CB-CG2 3.98Å; R2698-T2770 HydrophobicContact CG-CG2 3.82Å; T2770-C2774 WeakPolarHBondContact O-CB 3.3Å; T2770-C2774 PolarHBondContact O-N 3.5Å; T2770-C2774 PolarHBondContact O-SG 2.66Å |
| 2771 | F | 94.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 15.4 Ų | 15.4 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.9 | -50.8 | -177.3 | -178.8 | -86.7 | 0 | 0 | 0 | 112.9 | C2700 A2701 F2752 L2754 M2762 G2769 C2774 S2775 I2884 | C2700-F2771 HydrophobicContact CB-CD2 4.36Å; C2700-F2771 HydrophobicContact CB-CE2 4.25Å; A2701-F2771 VanDerWaalsContact CA-CE2 3.47Å; A2701-F2771 HydrophobicContact CB-CD2 3.75Å; A2701-F2771 HydrophobicContact CB-CE2 3.97Å; A2701-F2771 HydrophobicContact CB-CG 4.24Å; A2701-F2771 WeakPolarHBondContact CB-O 3.26Å; F2752-F2771 HydrophobicContact CE2-CE1 4.45Å; F2752-F2771 AromaticContact CE2-CZ 3.88Å; F2752-F2771 HydrophobicContact CE2-CZ 3.88Å; F2752-F2771 HydrophobicContact CZ-CZ 4.28Å; L2754-F2771 HydrophobicContact CD1-CE2 4.32Å; L2754-F2771 HydrophobicContact CD1-CZ 4.31Å; L2754-F2771 HydrophobicContact CD2-CE1 3.99Å; L2754-F2771 HydrophobicContact CD2-CZ 4.12Å; M2762-F2771 HydrophobicContact CE-CB 4.33Å; M2762-F2771 HydrophobicContact CE-CD2 3.52Å; M2762-F2771 HydrophobicContact CE-CE2 4.09Å; M2762-F2771 HydrophobicContact CE-CG 4.09Å; M2762-F2771 HydrophobicContact SD-CB 3.8Å; M2762-F2771 HydrophobicContact SD-CD2 4.13Å; M2762-F2771 HydrophobicContact SD-CG 4.1Å; G2769-F2771 VanDerWaalsContact C-N 3.26Å; G2769-F2771 PolarHBondContact O-N 3.29Å; G2769-F2771 VanDerWaalsContact O-N 3.16Å; F2771-C2774 PolarHBondContact O-N 2.96Å; F2771-S2775 VanDerWaalsContact O-CB 3.31Å; F2771-S2775 WeakPolarHBondContact O-CB 3.43Å; F2771-S2775 PolarHBondContact O-N 3.09Å; F2771-S2775 PolarHBondContact O-OG 3.19Å; F2771-I2884 HydrophobicContact CD1-CD1 4.21Å; F2771-I2884 HydrophobicContact CE1-CD1 4.08Å; F2771-I2884 HydrophobicContact CE1-CG1 3.99Å |
| 2772 | R | 93.4 | Very high | 89.8 | Confident | 22 Ų | 22 | 15.5 Ų | 15.5 | 8% | 0.083 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62 | -50.1 | 179.4 | 176.6 | -179.7 | -71.3 | -82.1 | 6 | 111.1 | Y2767 E2768 G2769 C2774 S2775 E2776 D2881 I2884 | Y2767-R2772 WeakPolarHBondContact O-CB 3.45Å; Y2767-R2772 PolarHBondContact O-N 3.1Å; E2768-R2772 VanDerWaalsContact CD-NE 3.29Å; E2768-R2772 IonicContact OE1-CZ 3.7Å; E2768-R2772 IonicContact OE1-NE 3.47Å; E2768-R2772 PolarHBondContact OE1-NE 2.94Å; E2768-R2772 IonicContact OE1-NH2 3.44Å; E2768-R2772 PolarHBondContact OE1-NH2 2.93Å; E2768-R2772 WeakPolarHBondContact OE2-CD 3.17Å; E2768-R2772 IonicContact OE2-CZ 2.93Å; E2768-R2772 IonicContact OE2-NE 2.82Å; E2768-R2772 PolarHBondContact OE2-NE 3.21Å; E2768-R2772 IonicContact OE2-NH2 2.71Å; G2769-R2772 PolarHBondContact O-N 3.24Å; R2772-C2774 VanDerWaalsContact C-N 3.33Å; R2772-C2774 PolarHBondContact O-N 2.57Å; R2772-S2775 WeakPolarHBondContact O-CB 3.4Å; R2772-S2775 PolarHBondContact O-N 3.39Å; R2772-S2775 VanDerWaalsContact O-N 3.1Å; R2772-E2776 WeakPolarHBondContact CG-OE1 3.39Å; R2772-E2776 WeakPolarHBondContact O-CG 3.5Å; R2772-E2776 PolarHBondContact O-N 3.06Å; R2772-D2881 IonicContact CZ-OD1 3.54Å; R2772-D2881 IonicContact NH1-OD1 3.77Å; R2772-D2881 PolarHBondContact NH1-OD1 3.47Å; R2772-D2881 IonicContact NH2-OD1 2.64Å; R2772-D2881 PolarHBondContact NH2-OD1 3.3Å; R2772-I2884 HydrophobicContact CB-CD1 4.25Å; R2772-I2884 HydrophobicContact CG-CD1 4.37Å |
| 2773 | R | 91.7 | Very high | 89.9 | Confident | 65 Ų | 65 | 17.5 Ų | 17.5 | 25% | 0.245 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | -179.1 | -64.2 | -54.1 | -164.3 | 162.5 | 13.4 | 112.5 | D1804 E1860 G2769 E2776 A2777 | D1804-R2773 HydrophobicContact CB-CB 4.11Å; D1804-R2773 HydrophobicContact CB-CG 4.21Å; E1860-R2773 IonicContact OE1-CZ 2.7Å; E1860-R2773 IonicContact OE1-NH2 3.53Å; E1860-R2773 PolarHBondContact OE1-NH2 3.35Å; G2769-R2773 PolarHBondContact O-N 3.41Å; G2769-R2773 VanDerWaalsContact O-N 3.14Å; R2773-E2776 IonicContact NH1-OE2 3.66Å; R2773-A2777 WeakPolarHBondContact O-CB 3.19Å; R2773-A2777 PolarHBondContact O-N 3.22Å |
| 2774 | C | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 173.5 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | L2599 A2701 T2770 F2771 R2772 E2776 A2777 V2778 | L2599-C2774 HydrophobicContact CD1-CB 4.43Å; L2599-C2774 HydrophobicContact CD2-CB 4.19Å; A2701-C2774 HydrophobicContact CB-CB 3.6Å; T2770-C2774 WeakPolarHBondContact O-CB 3.3Å; T2770-C2774 PolarHBondContact O-N 3.5Å; T2770-C2774 PolarHBondContact O-SG 2.66Å; F2771-C2774 PolarHBondContact O-N 2.96Å; R2772-C2774 VanDerWaalsContact C-N 3.33Å; R2772-C2774 PolarHBondContact O-N 2.57Å; C2774-E2776 PolarHBondContact O-N 3.44Å; C2774-A2777 PolarHBondContact O-N 3.32Å; C2774-V2778 VanDerWaalsContact O-CG2 3.24Å; C2774-V2778 WeakPolarHBondContact O-CG2 3.28Å; C2774-V2778 PolarHBondContact O-N 3.47Å |
| 2775 | S | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 177.6 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | A2701 F2771 R2772 V2778 M2779 | A2701-S2775 WeakPolarHBondContact CB-OG 3.37Å; F2771-S2775 VanDerWaalsContact O-CB 3.31Å; F2771-S2775 WeakPolarHBondContact O-CB 3.43Å; F2771-S2775 PolarHBondContact O-N 3.09Å; F2771-S2775 PolarHBondContact O-OG 3.19Å; R2772-S2775 WeakPolarHBondContact O-CB 3.4Å; R2772-S2775 PolarHBondContact O-N 3.39Å; R2772-S2775 VanDerWaalsContact O-N 3.1Å; S2775-V2778 PolarHBondContact O-N 3.21Å; S2775-M2779 VanDerWaalsContact O-CB 3.29Å; S2775-M2779 WeakPolarHBondContact O-CB 3.43Å; S2775-M2779 PolarHBondContact O-N 3.21Å |
| 2776 | E | 94.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 23.2 Ų | 23.2 | 8% | 0.075 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.5 | -70.3 | 168.9 | -174.6 | 0 | 0 | 112.3 | R2772 R2773 C2774 R2780 V2876 E2877 V2880 | R2772-E2776 WeakPolarHBondContact CG-OE1 3.39Å; R2772-E2776 WeakPolarHBondContact O-CG 3.5Å; R2772-E2776 PolarHBondContact O-N 3.06Å; R2773-E2776 IonicContact NH1-OE2 3.66Å; C2774-E2776 PolarHBondContact O-N 3.44Å; E2776-R2780 VanDerWaalsContact O-CB 3.25Å; E2776-R2780 WeakPolarHBondContact O-CB 3.3Å; E2776-R2780 PolarHBondContact O-N 3.46Å; E2776-R2780 PolarHBondContact O-NH1 3.31Å; E2776-V2876 WeakPolarHBondContact O-CG1 3.19Å; E2776-E2877 HydrophobicContact CG-CG 4.36Å; E2776-V2880 HydrophobicContact CG-CB 4.29Å; E2776-V2880 HydrophobicContact CG-CG1 4.23Å; E2776-V2880 HydrophobicContact CG-CG2 4.27Å |
| 2777 | A | 93.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T2594 R2773 C2774 L2781 | T2594-A2777 HydrophobicContact CG2-CB 4.09Å; R2773-A2777 WeakPolarHBondContact O-CB 3.19Å; R2773-A2777 PolarHBondContact O-N 3.22Å; C2774-A2777 PolarHBondContact O-N 3.32Å; A2777-L2781 PolarHBondContact O-N 3.02Å; A2777-L2781 VanDerWaalsContact O-N 3.07Å |
| 2778 | V | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.2 | -47.8 | 178.3 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | L2588 L2599 V2702 M2705 V2706 C2774 S2775 R2780 L2781 L2782 | L2588-V2778 HydrophobicContact CD2-CG2 4.25Å; L2599-V2778 HydrophobicContact CD1-CG2 3.62Å; V2702-V2778 HydrophobicContact CB-CG2 4.28Å; V2702-V2778 HydrophobicContact CG1-CG2 4.47Å; V2702-V2778 HydrophobicContact CG2-CG2 3.66Å; M2705-V2778 HydrophobicContact CB-CB 4.35Å; M2705-V2778 HydrophobicContact CB-CG1 3.82Å; M2705-V2778 HydrophobicContact CG-CB 4.46Å; M2705-V2778 HydrophobicContact CG-CG1 4.45Å; V2706-V2778 HydrophobicContact CG2-CG1 4.47Å; C2774-V2778 VanDerWaalsContact O-CG2 3.24Å; C2774-V2778 WeakPolarHBondContact O-CG2 3.28Å; C2774-V2778 PolarHBondContact O-N 3.47Å; S2775-V2778 PolarHBondContact O-N 3.21Å; V2778-R2780 VanDerWaalsContact C-N 3.3Å; V2778-R2780 PolarHBondContact O-N 3.28Å; V2778-L2781 WeakPolarHBondContact O-CB 3.37Å; V2778-L2781 PolarHBondContact O-N 3.28Å; V2778-L2781 VanDerWaalsContact O-N 3.09Å; V2778-L2782 HydrophobicContact CG1-CD1 3.95Å; V2778-L2782 HydrophobicContact CG1-CG 4.2Å; V2778-L2782 WeakPolarHBondContact O-CG 3.45Å; V2778-L2782 PolarHBondContact O-N 3.24Å |
| 2779 | M | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | -179.1 | -168 | 65.9 | -143.6 | 0 | 0 | 111 | M2705 V2709 S2775 L2781 L2782 R2783 L2858 V2876 V2880 | M2705-M2779 HydrophobicContact SD-CB 4.4Å; V2709-M2779 HydrophobicContact CG2-CE 3.97Å; V2709-M2779 HydrophobicContact CG2-SD 4.09Å; S2775-M2779 VanDerWaalsContact O-CB 3.29Å; S2775-M2779 WeakPolarHBondContact O-CB 3.43Å; S2775-M2779 PolarHBondContact O-N 3.21Å; M2779-L2781 VanDerWaalsContact C-N 3.32Å; M2779-L2781 PolarHBondContact O-N 3.43Å; M2779-L2782 PolarHBondContact O-N 3.18Å; M2779-R2783 HydrophobicContact CE-CG 3.82Å; M2779-R2783 WeakPolarHBondContact O-CG 3.01Å; M2779-R2783 PolarHBondContact O-N 3.08Å; M2779-L2858 HydrophobicContact CE-CD2 4.37Å; M2779-V2876 HydrophobicContact CB-CG1 3.83Å; M2779-V2876 HydrophobicContact CG-CG1 4.11Å; M2779-V2880 HydrophobicContact CB-CG2 4.1Å |
| 2780 | R | 94.6 | Very high | 89.7 | Confident | 98 Ų | 98 | 27 Ų | 27 | 37% | 0.37 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 173.7 | -167.6 | 177.1 | -70 | 101.8 | -12.1 | 112.3 | E2776 V2778 H2784 V2876 E2877 | E2776-R2780 VanDerWaalsContact O-CB 3.25Å; E2776-R2780 WeakPolarHBondContact O-CB 3.3Å; E2776-R2780 PolarHBondContact O-N 3.46Å; E2776-R2780 PolarHBondContact O-NH1 3.31Å; V2778-R2780 VanDerWaalsContact C-N 3.3Å; V2778-R2780 PolarHBondContact O-N 3.28Å; R2780-H2784 PolarHBondContact O-N 2.98Å; R2780-H2784 VanDerWaalsContact O-N 3.14Å; R2780-V2876 HydrophobicContact CB-CG1 4.22Å; R2780-V2876 HydrophobicContact CB-CG2 4.34Å; R2780-E2877 IonicContact CZ-OE1 3.56Å; R2780-E2877 IonicContact NH2-OE1 3.17Å; R2780-E2877 PolarHBondContact NH2-OE1 3.06Å |
| 2781 | L | 93.2 | Very high | 88.7 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.6 | -49.7 | 174.3 | -179.2 | 70.5 | 0 | 0 | 0 | 111.5 | F2587 L2588 N2591 T2594 A2777 V2778 M2779 R2783 H2784 E2785 | F2587-L2781 HydrophobicContact CB-CD1 4.15Å; F2587-L2781 HydrophobicContact CB-CD2 3.91Å; F2587-L2781 HydrophobicContact CB-CG 4.26Å; L2588-L2781 HydrophobicContact CD2-CD2 3.51Å; L2588-L2781 HydrophobicContact CG-CD2 3.93Å; N2591-L2781 HydrophobicContact CB-CD1 3.64Å; T2594-L2781 HydrophobicContact CG2-CD2 4.42Å; A2777-L2781 PolarHBondContact O-N 3.02Å; A2777-L2781 VanDerWaalsContact O-N 3.07Å; V2778-L2781 WeakPolarHBondContact O-CB 3.37Å; V2778-L2781 PolarHBondContact O-N 3.28Å; V2778-L2781 VanDerWaalsContact O-N 3.09Å; M2779-L2781 VanDerWaalsContact C-N 3.32Å; M2779-L2781 PolarHBondContact O-N 3.43Å; L2781-R2783 VanDerWaalsContact C-N 3.29Å; L2781-R2783 PolarHBondContact O-N 2.85Å; L2781-H2784 WeakPolarHBondContact O-CB 3.4Å; L2781-H2784 PolarHBondContact O-N 3.43Å; L2781-E2785 HydrophobicContact CD1-CG 4.34Å; L2781-E2785 PolarHBondContact O-N 2.93Å |
| 2782 | L | 92 | Very high | 87.8 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | -179.5 | -64.3 | 176.9 | 0 | 0 | 0 | 111.7 | I2584 V2706 V2709 V2778 M2779 H2784 E2785 I2786 L2789 L2858 | I2584-L2782 HydrophobicContact CD1-CD2 4.34Å; I2584-L2782 HydrophobicContact CG1-CD2 4.37Å; V2706-L2782 HydrophobicContact CG2-CD1 4.17Å; V2709-L2782 HydrophobicContact CG2-CD1 4.03Å; V2778-L2782 HydrophobicContact CG1-CD1 3.95Å; V2778-L2782 HydrophobicContact CG1-CG 4.2Å; V2778-L2782 WeakPolarHBondContact O-CG 3.45Å; V2778-L2782 PolarHBondContact O-N 3.24Å; M2779-L2782 PolarHBondContact O-N 3.18Å; L2782-H2784 VanDerWaalsContact C-N 3.33Å; L2782-E2785 CarbonylContact O-C 3.57Å; L2782-E2785 PolarHBondContact O-N 3.46Å; L2782-I2786 PolarHBondContact O-N 2.85Å; L2782-L2789 HydrophobicContact CB-CD1 4.31Å; L2782-L2789 HydrophobicContact CD2-CD1 3.68Å; L2782-L2858 HydrophobicContact CB-CD2 3.83Å |
| 2783 | R | 90.6 | Very high | 86.8 | Confident | 50 Ų | 50 | 26.5 Ų | 26.5 | 19% | 0.189 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.6 | -31.6 | 174 | -64.4 | -141 | -172.4 | 165.3 | 5.4 | 113.4 | M2779 L2781 I2786 L2858 M2874 S2875 | M2779-R2783 HydrophobicContact CE-CG 3.82Å; M2779-R2783 WeakPolarHBondContact O-CG 3.01Å; M2779-R2783 PolarHBondContact O-N 3.08Å; L2781-R2783 VanDerWaalsContact C-N 3.29Å; L2781-R2783 PolarHBondContact O-N 2.85Å; R2783-I2786 VanDerWaalsContact O-CD1 3.3Å; R2783-I2786 WeakPolarHBondContact O-CD1 3.33Å; R2783-I2786 VanDerWaalsContact O-CG1 3.28Å; R2783-I2786 WeakPolarHBondContact O-CG1 3.4Å; R2783-L2858 WeakPolarHBondContact CD-O 3.32Å; R2783-L2858 WeakPolarHBondContact CG-O 3.32Å; R2783-L2858 PolarHBondContact NE-O 3.49Å; R2783-M2874 VanDerWaalsContact CZ-O 3.31Å; R2783-M2874 PolarHBondContact NH1-O 3.23Å; R2783-M2874 PolarHBondContact NH2-O 3.32Å; R2783-S2875 PolarHBondContact NH2-O 3.34Å; R2783-S2875 VanDerWaalsContact NH2-O 3.17Å |
| 2784 | H | 87.8 | Confident | 85.8 | Confident | 130 Ų | 130 | 27.3 Ų | 27.3 | 60% | 0.602 | 13% | 0.125 | S | C | * | . | H | α-helix | trans | -74.5 | -35.4 | 177.1 | -175 | -91.2 | 0 | 0 | 0 | 111.6 | R2780 L2781 L2782 | R2780-H2784 PolarHBondContact O-N 2.98Å; R2780-H2784 VanDerWaalsContact O-N 3.14Å; L2781-H2784 WeakPolarHBondContact O-CB 3.4Å; L2781-H2784 PolarHBondContact O-N 3.43Å; L2782-H2784 VanDerWaalsContact C-N 3.33Å |
| 2785 | E | 86.8 | Confident | 84.5 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 38.7 | -174.1 | -59.8 | -59.4 | 149.8 | 0 | 0 | 113.2 | Q2310 F2587 L2781 L2782 P2788 L2789 | Q2310-E2785 PolarHBondContact NE2-OE2 3.45Å; F2587-E2785 HydrophobicContact CD1-CG 4.27Å; F2587-E2785 HydrophobicContact CD2-CB 4.05Å; F2587-E2785 HydrophobicContact CD2-CG 4.04Å; F2587-E2785 HydrophobicContact CE1-CG 4.5Å; F2587-E2785 HydrophobicContact CE2-CB 4.01Å; F2587-E2785 HydrophobicContact CE2-CG 4.26Å; F2587-E2785 HydrophobicContact CG-CG 4.05Å; F2587-E2785 HydrophobicContact CZ-CG 4.49Å; L2781-E2785 HydrophobicContact CD1-CG 4.34Å; L2781-E2785 PolarHBondContact O-N 2.93Å; L2782-E2785 CarbonylContact O-C 3.57Å; L2782-E2785 PolarHBondContact O-N 3.46Å; E2785-P2788 WeakPolarHBondContact O-CD 3.49Å; E2785-L2789 VanDerWaalsContact O-CD1 3.31Å; E2785-L2789 WeakPolarHBondContact O-CD1 3.47Å; E2785-L2789 WeakPolarHBondContact O-CG 3.48Å; E2785-L2789 PolarHBondContact O-N 3.46Å |
| 2786 | I | 84.4 | Confident | 83 | Confident | 24 Ų | 24 | 28.8 Ų | 28.8 | 12% | 0.123 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -48.9 | -177.3 | -66.1 | 174.2 | 0 | 0 | 0 | 111.9 | L2782 R2783 L2789 L2790 L2858 K2859 | L2782-I2786 PolarHBondContact O-N 2.85Å; R2783-I2786 VanDerWaalsContact O-CD1 3.3Å; R2783-I2786 WeakPolarHBondContact O-CD1 3.33Å; R2783-I2786 VanDerWaalsContact O-CG1 3.28Å; R2783-I2786 WeakPolarHBondContact O-CG1 3.4Å; I2786-L2789 PolarHBondContact O-N 3.14Å; I2786-L2790 HydrophobicContact CG2-CD1 3.56Å; I2786-L2790 HydrophobicContact CG2-CG 4.05Å; I2786-L2790 WeakPolarHBondContact O-CG 3.41Å; I2786-L2790 PolarHBondContact O-N 3.45Å; I2786-L2858 HydrophobicContact CD1-CB 4.01Å; I2786-L2858 HydrophobicContact CG1-CB 3.98Å; I2786-L2858 HydrophobicContact CG1-CD1 4.33Å; I2786-L2858 HydrophobicContact CG2-CD1 4.25Å; I2786-K2859 HydrophobicContact CD1-CG 4.23Å |
| 2787 | D | 76.4 | Confident | 81.6 | Confident | 100 Ų | 100 | 29.9 Ų | 29.9 | 54% | 0.535 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.1 | -47.2 | -173.2 | -53.4 | -48.5 | 0 | 0 | 0 | 112.4 | R2271 L2790 A2791 | R2271-D2787 IonicContact NH2-OD2 3.98Å; D2787-L2790 PolarHBondContact O-N 3.23Å; D2787-A2791 WeakPolarHBondContact O-CB 3.5Å; D2787-A2791 PolarHBondContact O-N 3.45Å |
| 2788 | P | 78.1 | Confident | 80.1 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 176.2 | -25.9 | 38.2 | 0 | 0 | 0 | 113.2 | Q2310 M2583 F2587 E2785 A2791 V2792 | Q2310-P2788 HydrophobicContact CB-CG 4.05Å; Q2310-P2788 HydrophobicContact CG-CB 4.48Å; Q2310-P2788 HydrophobicContact CG-CG 3.51Å; M2583-P2788 HydrophobicContact SD-CB 4.22Å; F2587-P2788 HydrophobicContact CE2-CB 4.03Å; F2587-P2788 HydrophobicContact CZ-CB 3.72Å; F2587-P2788 HydrophobicContact CZ-CG 4.12Å; E2785-P2788 WeakPolarHBondContact O-CD 3.49Å; P2788-A2791 WeakPolarHBondContact O-CB 3.38Å; P2788-A2791 PolarHBondContact O-N 3.31Å; P2788-V2792 PolarHBondContact O-N 3.14Å |
| 2789 | L | 81.2 | Confident | 78.6 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 179.3 | -68.2 | 170.5 | 0 | 0 | 0 | 110.6 | L2580 I2584 L2782 E2785 I2786 A2791 V2792 F2793 L2858 | L2580-L2789 HydrophobicContact CD1-CD2 3.73Å; L2580-L2789 HydrophobicContact CG-CD2 4.4Å; I2584-L2789 HydrophobicContact CD1-CD2 4.2Å; I2584-L2789 HydrophobicContact CG1-CD2 3.74Å; L2782-L2789 HydrophobicContact CB-CD1 4.31Å; L2782-L2789 HydrophobicContact CD2-CD1 3.68Å; E2785-L2789 VanDerWaalsContact O-CD1 3.31Å; E2785-L2789 WeakPolarHBondContact O-CD1 3.47Å; E2785-L2789 WeakPolarHBondContact O-CG 3.48Å; E2785-L2789 PolarHBondContact O-N 3.46Å; I2786-L2789 PolarHBondContact O-N 3.14Å; L2789-A2791 VanDerWaalsContact C-N 3.26Å; L2789-A2791 PolarHBondContact O-N 3.24Å; L2789-V2792 PolarHBondContact O-N 3.26Å; L2789-F2793 WeakPolarHBondContact O-CD2 3.28Å; L2789-F2793 PolarHBondContact O-N 2.87Å; L2789-L2858 HydrophobicContact CD1-CD2 4.5Å |
| 2790 | L | 77.6 | Confident | 77 | Confident | 14 Ų | 14 | 33.4 Ų | 33.4 | 7% | 0.073 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -34.5 | 177.3 | -70 | 178.1 | 0 | 0 | 0 | 112.2 | I2786 D2787 V2792 F2793 R2794 E2855 | I2786-L2790 HydrophobicContact CG2-CD1 3.56Å; I2786-L2790 HydrophobicContact CG2-CG 4.05Å; I2786-L2790 WeakPolarHBondContact O-CG 3.41Å; I2786-L2790 PolarHBondContact O-N 3.45Å; D2787-L2790 PolarHBondContact O-N 3.23Å; L2790-V2792 VanDerWaalsContact C-N 3.29Å; L2790-V2792 PolarHBondContact O-N 3.24Å; L2790-F2793 PolarHBondContact O-N 2.85Å; L2790-F2793 VanDerWaalsContact O-N 3.16Å; L2790-R2794 WeakPolarHBondContact O-CG 3.42Å; L2790-R2794 PolarHBondContact O-N 3.19Å; L2790-R2794 VanDerWaalsContact O-N 3.08Å; L2790-E2855 HydrophobicContact CD1-CB 4.19Å; L2790-E2855 HydrophobicContact CD1-CG 3.97Å; L2790-E2855 HydrophobicContact CD2-CB 4.38Å |
| 2791 | A | 71.6 | Confident | 75.1 | Confident | 10 Ų | 10 | 30 Ų | 30 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.7 | -30.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P2313 D2787 P2788 L2789 P2795 | P2313-A2791 HydrophobicContact CB-CB 3.49Å; P2313-A2791 VanDerWaalsContact CB-CB 3.49Å; P2313-A2791 HydrophobicContact CG-CB 4.42Å; D2787-A2791 WeakPolarHBondContact O-CB 3.5Å; D2787-A2791 PolarHBondContact O-N 3.45Å; P2788-A2791 WeakPolarHBondContact O-CB 3.38Å; P2788-A2791 PolarHBondContact O-N 3.31Å; L2789-A2791 VanDerWaalsContact C-N 3.26Å; L2789-A2791 PolarHBondContact O-N 3.24Å; A2791-P2795 WeakPolarHBondContact O-CD 3.26Å |
| 2792 | V | 73.9 | Confident | 73.4 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72 | -32.5 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | L2580 M2583 P2788 L2789 L2790 P2795 | L2580-V2792 HydrophobicContact CB-CG1 4.2Å; L2580-V2792 HydrophobicContact CD1-CB 3.96Å; L2580-V2792 HydrophobicContact CD1-CG1 4.03Å; L2580-V2792 HydrophobicContact CD1-CG2 4.28Å; M2583-V2792 HydrophobicContact CE-CG2 3.03Å; M2583-V2792 HydrophobicContact SD-CG2 3.65Å; P2788-V2792 PolarHBondContact O-N 3.14Å; L2789-V2792 PolarHBondContact O-N 3.26Å; L2790-V2792 VanDerWaalsContact C-N 3.29Å; L2790-V2792 PolarHBondContact O-N 3.24Å; V2792-P2795 VanDerWaalsContact O-CD 3.31Å; V2792-P2795 WeakPolarHBondContact O-CD 3.41Å |
| 2793 | F | 72.7 | Confident | 71.7 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -79.7 | -29.1 | -179.2 | -75.3 | -64.8 | 0 | 0 | 0 | 114.2 | L2577 L2580 L2710 F2738 L2789 L2790 I2796 Y2797 L2851 M2854 | L2577-F2793 HydrophobicContact CD2-CE1 3.97Å; L2577-F2793 HydrophobicContact CD2-CZ 4.19Å; L2580-F2793 HydrophobicContact CB-CZ 4.45Å; L2580-F2793 HydrophobicContact CD1-CD2 4.2Å; L2580-F2793 HydrophobicContact CD1-CE2 3.35Å; L2580-F2793 HydrophobicContact CD1-CZ 3.66Å; L2580-F2793 HydrophobicContact CD2-CE2 3.77Å; L2580-F2793 HydrophobicContact CD2-CZ 3.38Å; L2580-F2793 HydrophobicContact CG-CE2 4.1Å; L2580-F2793 HydrophobicContact CG-CZ 3.96Å; L2710-F2793 HydrophobicContact CD2-CE1 3.81Å; L2710-F2793 HydrophobicContact CD2-CE2 3.62Å; L2710-F2793 HydrophobicContact CD2-CZ 3.05Å; L2710-F2793 HydrophobicContact CG-CZ 4.47Å; F2738-F2793 HydrophobicContact CE1-CD1 4.05Å; F2738-F2793 HydrophobicContact CE1-CE1 4.43Å; F2738-F2793 AromaticContact CZ-CD1 3.87Å; F2738-F2793 HydrophobicContact CZ-CD1 3.87Å; F2738-F2793 HydrophobicContact CZ-CE1 4.33Å; L2789-F2793 WeakPolarHBondContact O-CD2 3.28Å; L2789-F2793 PolarHBondContact O-N 2.87Å; L2790-F2793 PolarHBondContact O-N 2.85Å; L2790-F2793 VanDerWaalsContact O-N 3.16Å; F2793-I2796 HydrophobicContact CD1-CD1 3.83Å; F2793-I2796 HydrophobicContact CE1-CD1 4.17Å; F2793-I2796 WeakPolarHBondContact O-CB 3.46Å; F2793-I2796 PolarHBondContact O-N 3.43Å; F2793-Y2797 PolarHBondContact O-N 3.47Å; F2793-L2851 HydrophobicContact CB-CD2 3.67Å; F2793-M2854 HydrophobicContact CD2-CE 3.41Å; F2793-M2854 VanDerWaalsContact CD2-CE 3.41Å; F2793-M2854 HydrophobicContact CD2-SD 3.74Å; F2793-M2854 HydrophobicContact CE2-CE 3.22Å; F2793-M2854 HydrophobicContact CE2-SD 3.92Å; F2793-M2854 HydrophobicContact CG-CE 4.41Å; F2793-M2854 HydrophobicContact CG-SD 4.21Å; F2793-M2854 HydrophobicContact CZ-CE 4.11Å |
| 2794 | R | 71.3 | Confident | 69.8 | Low | 81 Ų | 81 | 35.5 Ų | 35.5 | 31% | 0.306 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -52.4 | -44.6 | 176.8 | -76.3 | 179.3 | -171.1 | -152.4 | -0.8 | 113.2 | D2321 L2790 I2796 Y2797 F2798 | D2321-R2794 IonicContact OD2-NH1 3.09Å; L2790-R2794 WeakPolarHBondContact O-CG 3.42Å; L2790-R2794 PolarHBondContact O-N 3.19Å; L2790-R2794 VanDerWaalsContact O-N 3.08Å; R2794-I2796 VanDerWaalsContact C-N 3.26Å; R2794-I2796 PolarHBondContact O-N 2.96Å; R2794-Y2797 WeakPolarHBondContact O-CA 3.5Å; R2794-Y2797 WeakPolarHBondContact O-CB 3.43Å; R2794-Y2797 PolarHBondContact O-N 3Å; R2794-F2798 WeakPolarHBondContact O-CD2 3.32Å; R2794-F2798 PolarHBondContact O-N 2.88Å |
| 2795 | P | 66.6 | Low | 67.9 | Low | 8 Ų | 8 | 31.8 Ų | 31.8 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -50.8 | -39.2 | 172 | -29.4 | 30 | 0 | 0 | 0 | 115.1 | Q2377 A2791 V2792 Y2797 F2798 D2799 | Q2377-P2795 HydrophobicContact CB-CG 3.97Å; Q2377-P2795 HydrophobicContact CG-CG 3.7Å; A2791-P2795 WeakPolarHBondContact O-CD 3.26Å; V2792-P2795 VanDerWaalsContact O-CD 3.31Å; V2792-P2795 WeakPolarHBondContact O-CD 3.41Å; P2795-Y2797 PolarHBondContact O-N 3.32Å; P2795-F2798 PolarHBondContact O-N 3.49Å; P2795-D2799 PolarHBondContact O-N 3.32Å |
| 2796 | I | 65.2 | Low | 65.8 | Low | 24 Ų | 24 | 31.9 Ų | 31.9 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -35.3 | 178.2 | -55.8 | -174.4 | 0 | 0 | 0 | 110.7 | R2576 F2738 F2793 R2794 D2799 A2800 | R2576-I2796 HydrophobicContact CB-CD1 3.8Å; R2576-I2796 HydrophobicContact CB-CG1 4.1Å; R2576-I2796 HydrophobicContact CG-CD1 4.34Å; R2576-I2796 HydrophobicContact CG-CG1 4.1Å; F2738-I2796 HydrophobicContact CE2-CG2 4.25Å; F2738-I2796 HydrophobicContact CZ-CD1 4.47Å; F2793-I2796 HydrophobicContact CD1-CD1 3.83Å; F2793-I2796 HydrophobicContact CE1-CD1 4.17Å; F2793-I2796 WeakPolarHBondContact O-CB 3.46Å; F2793-I2796 PolarHBondContact O-N 3.43Å; R2794-I2796 VanDerWaalsContact C-N 3.26Å; R2794-I2796 PolarHBondContact O-N 2.96Å; I2796-D2799 PolarHBondContact O-N 3.13Å; I2796-A2800 WeakPolarHBondContact O-CB 3.46Å; I2796-A2800 PolarHBondContact O-N 3.23Å; I2796-A2800 VanDerWaalsContact O-N 3.07Å |
| 2797 | Y | 65.1 | Low | 63.8 | Low | 39 Ų | 39 | 35.7 Ų | 35.7 | 15% | 0.153 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 172.9 | 154.9 | -78.1 | 0 | 0 | 0 | 111.6 | F2793 R2794 P2795 A2800 V2801 T2844 A2847 T2848 | F2793-Y2797 PolarHBondContact O-N 3.47Å; R2794-Y2797 WeakPolarHBondContact O-CA 3.5Å; R2794-Y2797 WeakPolarHBondContact O-CB 3.43Å; R2794-Y2797 PolarHBondContact O-N 3Å; P2795-Y2797 PolarHBondContact O-N 3.32Å; Y2797-A2800 PolarHBondContact O-N 3.26Å; Y2797-V2801 VanDerWaalsContact O-CG2 3.27Å; Y2797-V2801 WeakPolarHBondContact O-CG2 3.43Å; Y2797-V2801 PolarHBondContact O-N 2.68Å; Y2797-V2801 VanDerWaalsContact O-N 3.13Å; Y2797-T2844 HydrophobicContact CE2-CG2 3.74Å; Y2797-T2844 WeakPolarHBondContact CE2-O 3.38Å; Y2797-T2844 WeakPolarHBondContact OH-CG2 3.34Å; Y2797-A2847 HydrophobicContact CD2-CB 3.4Å; Y2797-A2847 VanDerWaalsContact CD2-CB 3.4Å; Y2797-A2847 HydrophobicContact CE2-CB 4.07Å; Y2797-A2847 HydrophobicContact CG-CB 4.32Å; Y2797-T2848 HydrophobicContact CD2-CG2 4.33Å; Y2797-T2848 HydrophobicContact CE2-CG2 3.62Å |
| 2798 | F | 62.8 | Low | 62.1 | Low | 26 Ų | 26 | 33.6 Ų | 33.6 | 11% | 0.114 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.1 | -38.1 | 178.8 | -68.4 | -80.6 | 0 | 0 | 0 | 112.4 | R2381 R2794 P2795 A2800 V2801 V2802 | R2381-F2798 VanDerWaalsContact CZ-CE1 3.47Å; R2381-F2798 VanDerWaalsContact NE-CG 3.31Å; R2794-F2798 WeakPolarHBondContact O-CD2 3.32Å; R2794-F2798 PolarHBondContact O-N 2.88Å; P2795-F2798 PolarHBondContact O-N 3.49Å; F2798-A2800 VanDerWaalsContact C-N 3.33Å; F2798-A2800 PolarHBondContact O-N 3.47Å; F2798-V2801 PolarHBondContact O-N 3.04Å; F2798-V2802 VanDerWaalsContact O-CG2 3.26Å; F2798-V2802 WeakPolarHBondContact O-CG2 3.24Å; F2798-V2802 PolarHBondContact O-N 3.33Å |
| 2799 | D | 64.6 | Low | 60.2 | Low | 14 Ų | 14 | 43 Ų | 43 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 175.9 | -77.3 | -27.4 | 0 | 0 | 0 | 111.2 | R2423 P2795 I2796 V2801 V2802 E2803 | R2423-D2799 IonicContact CZ-OD1 3.72Å; R2423-D2799 IonicContact NH1-OD1 3.04Å; R2423-D2799 IonicContact NH2-OD1 2.6Å; R2423-D2799 PolarHBondContact NH2-OD1 3.04Å; P2795-D2799 PolarHBondContact O-N 3.32Å; I2796-D2799 PolarHBondContact O-N 3.13Å; D2799-V2801 PolarHBondContact O-N 3.18Å; D2799-V2802 PolarHBondContact O-N 3.47Å; D2799-E2803 WeakPolarHBondContact O-CG 3.2Å; D2799-E2803 PolarHBondContact O-N 3.44Å; D2799-E2803 VanDerWaalsContact O-N 3.13Å |
| 2800 | A | 60.3 | Low | 58.1 | Low | 41 Ų | 41 | 46.7 Ų | 46.7 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I2796 Y2797 F2798 Q2804 | I2796-A2800 WeakPolarHBondContact O-CB 3.46Å; I2796-A2800 PolarHBondContact O-N 3.23Å; I2796-A2800 VanDerWaalsContact O-N 3.07Å; Y2797-A2800 PolarHBondContact O-N 3.26Å; F2798-A2800 VanDerWaalsContact C-N 3.33Å; F2798-A2800 PolarHBondContact O-N 3.47Å; A2800-Q2804 PolarHBondContact O-N 3.37Å |
| 2801 | V | 56 | Low | 56.2 | Low | 27 Ų | 27 | 53.4 Ų | 53.4 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | Y2797 F2798 D2799 T2805 | Y2797-V2801 VanDerWaalsContact O-CG2 3.27Å; Y2797-V2801 WeakPolarHBondContact O-CG2 3.43Å; Y2797-V2801 PolarHBondContact O-N 2.68Å; Y2797-V2801 VanDerWaalsContact O-N 3.13Å; F2798-V2801 PolarHBondContact O-N 3.04Å; D2799-V2801 PolarHBondContact O-N 3.18Å; V2801-T2805 PolarHBondContact O-N 3.2Å; V2801-T2805 PolarHBondContact O-OG1 3.02Å; V2801-T2805 VanDerWaalsContact O-OG1 3.12Å |
| 2802 | V | 56.2 | Low | 54.2 | Low | 22 Ų | 22 | 56.1 Ų | 56.1 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.8 | -31.7 | -178.6 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | V2420 R2423 F2798 D2799 T2805 G2806 | V2420-V2802 HydrophobicContact CG1-CG1 4.06Å; V2420-V2802 HydrophobicContact CG2-CG1 4.27Å; R2423-V2802 HydrophobicContact CG-CG1 4.47Å; R2423-V2802 VanDerWaalsContact NE-CG1 3.28Å; F2798-V2802 VanDerWaalsContact O-CG2 3.26Å; F2798-V2802 WeakPolarHBondContact O-CG2 3.24Å; F2798-V2802 PolarHBondContact O-N 3.33Å; D2799-V2802 PolarHBondContact O-N 3.47Å; V2802-T2805 WeakPolarHBondContact CA-OG1 3.2Å; V2802-T2805 PolarHBondContact O-OG1 2.65Å; V2802-G2806 PolarHBondContact O-N 3.37Å |
| 2803 | E | 56.2 | Low | 52.2 | Low | 43 Ų | 43 | 66 Ų | 66 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 176.6 | -75.2 | 163.6 | -142.5 | 0 | 0 | 112.7 | R2423 R2572 D2799 G2806 N2807 | R2423-E2803 IonicContact NH1-OE1 3.18Å; R2572-E2803 IonicContact CZ-OE1 2.68Å; R2572-E2803 IonicContact CZ-OE2 3.8Å; R2572-E2803 IonicContact NE-OE1 2.69Å; R2572-E2803 VanDerWaalsContact NH1-CD 3.31Å; R2572-E2803 IonicContact NH1-OE1 3.47Å; R2572-E2803 PolarHBondContact NH1-OE1 2.83Å; R2572-E2803 IonicContact NH1-OE2 3.86Å; R2572-E2803 IonicContact NH2-OE1 2.88Å; R2572-E2803 PolarHBondContact NH2-OE1 3.03Å; R2572-E2803 IonicContact NH2-OE2 3.33Å; R2572-E2803 PolarHBondContact NH2-OE2 3.41Å; D2799-E2803 WeakPolarHBondContact O-CG 3.2Å; D2799-E2803 PolarHBondContact O-N 3.44Å; D2799-E2803 VanDerWaalsContact O-N 3.13Å; E2803-G2806 PolarHBondContact O-N 3.06Å; E2803-N2807 PolarHBondContact O-N 3.31Å |
| 2804 | Q | 51.9 | Low | 50.4 | Low | 109 Ų | 109 | 71.6 Ų | 71.6 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.4 | -33.4 | -179.3 | -67.5 | -171.8 | -4 | 0 | 0 | 112.2 | A2800 G2806 V2808 | A2800-Q2804 PolarHBondContact O-N 3.37Å; Q2804-G2806 VanDerWaalsContact C-N 3.32Å; Q2804-G2806 PolarHBondContact O-N 3.37Å; Q2804-V2808 WeakPolarHBondContact O-CG2 3.42Å; Q2804-V2808 PolarHBondContact O-N 3.2Å |
| 2805 | T | 47.2 | Very low | 48.3 | Very low | 53 Ų | 53 | 71.8 Ų | 71.8 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.1 | -33.3 | 171.6 | 44.4 | 0 | 0 | 0 | 0 | 113.2 | V2801 V2802 T2840 | V2801-T2805 PolarHBondContact O-N 3.2Å; V2801-T2805 PolarHBondContact O-OG1 3.02Å; V2801-T2805 VanDerWaalsContact O-OG1 3.12Å; V2802-T2805 WeakPolarHBondContact CA-OG1 3.2Å; V2802-T2805 PolarHBondContact O-OG1 2.65Å; T2805-T2840 HydrophobicContact CG2-CG2 3.06Å |
| 2806 | G | 42.6 | Very low | 46.6 | Very low | 20 Ų | 20 | 75.3 Ų | 75.3 | 21% | 0.206 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V2802 E2803 Q2804 S2810 | V2802-G2806 PolarHBondContact O-N 3.37Å; E2803-G2806 PolarHBondContact O-N 3.06Å; Q2804-G2806 VanDerWaalsContact C-N 3.32Å; Q2804-G2806 PolarHBondContact O-N 3.37Å; G2806-S2810 PolarHBondContact O-OG 3.48Å |
| 2807 | N | 42.2 | Very low | 44.8 | Very low | 104 Ų | 104 | 83.1 Ų | 83.1 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74 | -26 | 180 | -81.7 | -4 | 0 | 0 | 0 | 113.6 | E2803 S2810 | E2803-N2807 PolarHBondContact O-N 3.31Å; N2807-S2810 PolarHBondContact O-OG 2.69Å |
| 2808 | V | 41.2 | Very low | 43.2 | Very low | 57 Ų | 57 | 86.6 Ų | 86.6 | 35% | 0.345 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.6 | -36.3 | 178 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | Q2804 D2836 | Q2804-V2808 WeakPolarHBondContact O-CG2 3.42Å; Q2804-V2808 PolarHBondContact O-N 3.2Å; V2808-D2836 VanDerWaalsContact CG1-OD1 3.26Å; V2808-D2836 WeakPolarHBondContact CG1-OD1 3.2Å |
| 2809 | R | 38.4 | Very low | 41.6 | Very low | 200 Ų | 200 | 91.7 Ų | 91.7 | 76% | 0.755 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -78.2 | -18.8 | -178.8 | -71.9 | -177.8 | 172.5 | 170.2 | -0.8 | 114.8 | ||
| 2810 | S | 37.8 | Very low | 40.1 | Very low | 81 Ų | 81 | 94.5 Ų | 94.5 | 57% | 0.566 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -86.5 | -13.4 | -177.3 | 41.2 | 0 | 0 | 0 | 0 | 114.1 | G2806 N2807 A2812 | G2806-S2810 PolarHBondContact O-OG 3.48Å; N2807-S2810 PolarHBondContact O-OG 2.69Å; S2810-A2812 VanDerWaalsContact C-N 3.3Å; S2810-A2812 PolarHBondContact O-N 3.48Å |
| 2811 | N | 36 | Very low | 38.7 | Very low | 155 Ų | 155 | 104 Ų | 104 | 83% | 0.829 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 13.7 | 174.6 | -84.8 | 1.6 | 0 | 0 | 0 | 114.3 | ||
| 2812 | A | 29.6 | Very low | 37.8 | Very low | 67 Ų | 67 | 109.8 Ų | 109.8 | 55% | 0.554 | 65% | 0.646 | S | S | * | * | trans | -115.1 | 72 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S2810 | S2810-A2812 VanDerWaalsContact C-N 3.3Å; S2810-A2812 PolarHBondContact O-N 3.48Å | ||
| 2813 | F | 32.5 | Very low | 36.6 | Very low | 211 Ų | 211 | 120.2 Ų | 120.2 | 93% | 0.925 | 68% | 0.683 | S | S | * | * | trans | -146.7 | 146.5 | 152.5 | -93.9 | -79.2 | 0 | 0 | 0 | 111.1 | ||||
| 2814 | P | 35.4 | Very low | 35.8 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | trans | -100.4 | 148 | -153.8 | 37.8 | -31.2 | 0 | 0 | 0 | 113.6 | ||||
| 2815 | G | 27.7 | Very low | 34.8 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 88% | 0.876 | 74% | 0.738 | S | S | * | * | trans | 126.7 | 113.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2816 | G | 30.4 | Very low | 34.2 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | 152 | 92.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2817 | E | 27 | Very low | 33.7 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -58.5 | 145 | -179.5 | -58.5 | 169.9 | 145.9 | 0 | 0 | 113.6 | ||||
| 2818 | S | 31.3 | Very low | 33.2 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | 151.5 | 109.9 | 129.9 | -64.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 2819 | S | 29.5 | Very low | 32.8 | Very low | 133 Ų | 133 | 138 Ų | 138 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | 61.3 | 116.3 | 139.8 | -68.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 2820 | G | 33.3 | Very low | 32.5 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 174.8 | 12.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2821 | R | 29.8 | Very low | 32.2 | Very low | 241 Ų | 241 | 135.8 Ų | 135.8 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | 38.1 | 97.5 | 148 | -163.1 | 173.9 | 175.7 | 168 | -1.7 | 119.3 | ||||
| 2822 | T | 38.1 | Very low | 32.3 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 91% | 0.908 | 83% | 0.827 | S | S | * | * | trans | -145.7 | 127.6 | 139.7 | 30 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2823 | R | 31.6 | Very low | 32.9 | Very low | 242 Ų | 242 | 134.4 Ų | 134.4 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -90.8 | 133.1 | -176.9 | -89.6 | 175.1 | 160.1 | 167.2 | -6.1 | 112.1 | ||||
| 2824 | R | 38.8 | Very low | 33.3 | Very low | 256 Ų | 256 | 128.2 Ų | 128.2 | 97% | 0.966 | 82% | 0.815 | S | S | * | * | trans | 174.8 | 116.8 | 140.2 | -100.7 | 177.8 | 176.1 | 179.4 | -1.1 | 104.5 | ||||
| 2825 | G | 30.6 | Very low | 33.9 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | cis | 110.6 | 93.7 | 33 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2826 | G | 35 | Very low | 34.7 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | 155.8 | 131.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2827 | S | 32.2 | Very low | 35.5 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | -95.9 | 168.5 | -157.5 | 51.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2828 | T | 32.1 | Very low | 36.8 | Very low | 122 Ų | 122 | 122 Ų | 122 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 83.1 | 104.1 | 147.9 | 51.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2829 | S | 33 | Very low | 37.7 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 47 | 134.6 | 130.3 | 56.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 2830 | D | 30.7 | Very low | 38.8 | Very low | 172 Ų | 172 | 116.7 Ų | 116.7 | 92% | 0.92 | 70% | 0.699 | S | S | * | * | trans | 81.2 | 101.7 | 168.3 | -65.4 | -15.1 | 0 | 0 | 0 | 117.9 | ||||
| 2831 | G | 32.7 | Very low | 40 | Very low | 62 Ų | 62 | 117.9 Ų | 117.9 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | trans | 147 | 62.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2832 | S | 36.9 | Very low | 41.5 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -100.8 | 7.9 | 172.7 | 59.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 2833 | A | 42.5 | Very low | 42.4 | Very low | 78 Ų | 78 | 108.5 Ų | 108.5 | 65% | 0.645 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -103.2 | -8.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 2834 | S | 40.5 | Very low | 43.8 | Very low | 81 Ų | 81 | 98.2 Ų | 98.2 | 57% | 0.566 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -87.4 | -23.1 | -176.8 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | D2838 | S2834-D2838 PolarHBondContact O-N 2.6Å |
| 2835 | S | 49 | Very low | 45.1 | Very low | 65 Ų | 65 | 91.8 Ų | 91.8 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.2 | -32.9 | -178.1 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | L2839 | S2835-L2839 WeakPolarHBondContact O-CG 3.44Å; S2835-L2839 PolarHBondContact O-N 3.36Å |
| 2836 | D | 43.1 | Very low | 46.8 | Very low | 76 Ų | 76 | 89.8 Ų | 89.8 | 41% | 0.406 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74.4 | -34.8 | -176.7 | -80 | 6.9 | 0 | 0 | 0 | 112.5 | V2808 T2840 | V2808-D2836 VanDerWaalsContact CG1-OD1 3.26Å; V2808-D2836 WeakPolarHBondContact CG1-OD1 3.2Å; D2836-T2840 PolarHBondContact O-N 3.43Å; D2836-T2840 PolarHBondContact O-OG1 3.09Å |
| 2837 | L | 48.7 | Very low | 48.2 | Very low | 113 Ų | 113 | 86.7 Ų | 86.7 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.3 | -41.4 | 173.5 | -84.6 | 155 | 0 | 0 | 0 | 111.2 | L2839 T2840 E2841 | L2837-L2839 PolarHBondContact O-N 3.44Å; L2837-T2840 WeakPolarHBondContact CA-OG1 3.35Å; L2837-T2840 PolarHBondContact O-N 2.75Å; L2837-T2840 PolarHBondContact O-OG1 3.03Å; L2837-T2840 VanDerWaalsContact O-OG1 3.04Å; L2837-E2841 VanDerWaalsContact O-CB 3.23Å; L2837-E2841 WeakPolarHBondContact O-CB 3.3Å; L2837-E2841 PolarHBondContact O-N 3.07Å |
| 2838 | D | 53.6 | Low | 50 | Low | 93 Ų | 93 | 84.8 Ų | 84.8 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -35.2 | -177.2 | -155.6 | 20.4 | 0 | 0 | 0 | 111.9 | S2834 R2842 | S2834-D2838 PolarHBondContact O-N 2.6Å; D2838-R2842 WeakPolarHBondContact O-CB 3.43Å; D2838-R2842 PolarHBondContact O-N 2.66Å |
| 2839 | L | 50.3 | Low | 52 | Low | 95 Ų | 95 | 83.9 Ų | 83.9 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.5 | -42 | 175.2 | -73.6 | 169.7 | 0 | 0 | 0 | 113.1 | S2835 L2837 R2842 A2843 | S2835-L2839 WeakPolarHBondContact O-CG 3.44Å; S2835-L2839 PolarHBondContact O-N 3.36Å; L2837-L2839 PolarHBondContact O-N 3.44Å; L2839-R2842 PolarHBondContact O-N 2.81Å; L2839-A2843 WeakPolarHBondContact O-CB 3.27Å; L2839-A2843 PolarHBondContact O-N 3.12Å |
| 2840 | T | 52.6 | Low | 54.1 | Low | 37 Ų | 37 | 82.6 Ų | 82.6 | 23% | 0.227 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63 | -47.3 | 173.7 | 22.9 | 0 | 0 | 0 | 0 | 110.7 | T2805 D2836 L2837 R2842 A2843 T2844 | T2805-T2840 HydrophobicContact CG2-CG2 3.06Å; D2836-T2840 PolarHBondContact O-N 3.43Å; D2836-T2840 PolarHBondContact O-OG1 3.09Å; L2837-T2840 WeakPolarHBondContact CA-OG1 3.35Å; L2837-T2840 PolarHBondContact O-N 2.75Å; L2837-T2840 PolarHBondContact O-OG1 3.03Å; L2837-T2840 VanDerWaalsContact O-OG1 3.04Å; T2840-R2842 VanDerWaalsContact C-N 3.29Å; T2840-R2842 PolarHBondContact O-N 3.38Å; T2840-A2843 PolarHBondContact O-N 3.35Å; T2840-T2844 WeakPolarHBondContact O-CB 3.48Å; T2840-T2844 PolarHBondContact O-N 2.93Å; T2840-T2844 PolarHBondContact O-OG1 3.23Å |
| 2841 | E | 58.5 | Low | 56.2 | Low | 97 Ų | 97 | 75.8 Ų | 75.8 | 45% | 0.453 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 179.3 | -157.9 | -174.1 | 148.4 | 0 | 0 | 111.9 | L2837 T2844 R2845 | L2837-E2841 VanDerWaalsContact O-CB 3.23Å; L2837-E2841 WeakPolarHBondContact O-CB 3.3Å; L2837-E2841 PolarHBondContact O-N 3.07Å; E2841-T2844 VanDerWaalsContact O-CB 3.29Å; E2841-T2844 WeakPolarHBondContact O-CB 3.49Å; E2841-T2844 PolarHBondContact O-N 3.5Å; E2841-R2845 VanDerWaalsContact CD-NH2 3.27Å; E2841-R2845 WeakPolarHBondContact O-CG 3.43Å; E2841-R2845 PolarHBondContact O-N 3.11Å; E2841-R2845 IonicContact OE1-CZ 3.61Å; E2841-R2845 IonicContact OE1-NE 3.43Å; E2841-R2845 IonicContact OE1-NH2 3.38Å; E2841-R2845 PolarHBondContact OE1-NH2 3.01Å; E2841-R2845 IonicContact OE2-NH2 3Å |
| 2842 | R | 61.5 | Low | 58.5 | Low | 175 Ų | 175 | 75 Ų | 75 | 66% | 0.66 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.2 | -41 | 176.6 | -164 | 171.9 | -168.4 | 165.1 | 2.5 | 113.2 | D2838 L2839 T2840 T2844 R2845 A2846 | D2838-R2842 WeakPolarHBondContact O-CB 3.43Å; D2838-R2842 PolarHBondContact O-N 2.66Å; L2839-R2842 PolarHBondContact O-N 2.81Å; T2840-R2842 VanDerWaalsContact C-N 3.29Å; T2840-R2842 PolarHBondContact O-N 3.38Å; R2842-T2844 VanDerWaalsContact C-N 3.28Å; R2842-R2845 PolarHBondContact O-N 3.46Å; R2842-A2846 WeakPolarHBondContact O-CB 3.41Å; R2842-A2846 PolarHBondContact O-N 2.89Å |
| 2843 | A | 56.3 | Low | 60.6 | Low | 18 Ų | 18 | 75.5 Ų | 75.5 | 15% | 0.149 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2839 T2840 A2846 A2847 | L2839-A2843 WeakPolarHBondContact O-CB 3.27Å; L2839-A2843 PolarHBondContact O-N 3.12Å; T2840-A2843 PolarHBondContact O-N 3.35Å; A2843-A2846 PolarHBondContact O-N 3.37Å; A2843-A2847 WeakPolarHBondContact O-CB 3.45Å; A2843-A2847 PolarHBondContact O-N 3.06Å |
| 2844 | T | 60.8 | Low | 62.5 | Low | 26 Ų | 26 | 71.9 Ų | 71.9 | 16% | 0.16 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 176.4 | -50.3 | 0 | 0 | 0 | 0 | 110.6 | Y2797 T2840 E2841 R2842 A2847 T2848 | Y2797-T2844 HydrophobicContact CE2-CG2 3.74Å; Y2797-T2844 WeakPolarHBondContact CE2-O 3.38Å; Y2797-T2844 WeakPolarHBondContact OH-CG2 3.34Å; T2840-T2844 WeakPolarHBondContact O-CB 3.48Å; T2840-T2844 PolarHBondContact O-N 2.93Å; T2840-T2844 PolarHBondContact O-OG1 3.23Å; E2841-T2844 VanDerWaalsContact O-CB 3.29Å; E2841-T2844 WeakPolarHBondContact O-CB 3.49Å; E2841-T2844 PolarHBondContact O-N 3.5Å; R2842-T2844 VanDerWaalsContact C-N 3.28Å; T2844-A2847 PolarHBondContact O-N 3.49Å; T2844-T2848 WeakPolarHBondContact O-CG2 3.39Å; T2844-T2848 PolarHBondContact O-N 3.33Å; T2844-T2848 PolarHBondContact O-OG1 3.4Å |
| 2845 | R | 66.3 | Low | 64.6 | Low | 120 Ų | 120 | 71 Ų | 71 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 176.3 | -75.7 | -174.2 | -141.8 | 144.9 | 7.4 | 112.6 | E2841 R2842 A2847 T2848 E2849 | E2841-R2845 VanDerWaalsContact CD-NH2 3.27Å; E2841-R2845 WeakPolarHBondContact O-CG 3.43Å; E2841-R2845 PolarHBondContact O-N 3.11Å; E2841-R2845 IonicContact OE1-CZ 3.61Å; E2841-R2845 IonicContact OE1-NE 3.43Å; E2841-R2845 IonicContact OE1-NH2 3.38Å; E2841-R2845 PolarHBondContact OE1-NH2 3.01Å; E2841-R2845 IonicContact OE2-NH2 3Å; R2842-R2845 PolarHBondContact O-N 3.46Å; R2845-A2847 PolarHBondContact O-N 2.88Å; R2845-T2848 WeakPolarHBondContact CA-OG1 3.23Å; R2845-T2848 PolarHBondContact O-N 2.88Å; R2845-T2848 PolarHBondContact O-OG1 3.25Å; R2845-E2849 WeakPolarHBondContact O-CB 3.19Å; R2845-E2849 VanDerWaalsContact O-CG 3.31Å; R2845-E2849 WeakPolarHBondContact O-CG 3.37Å; R2845-E2849 PolarHBondContact O-N 2.92Å |
| 2846 | A | 66.3 | Low | 66.4 | Low | 45 Ų | 45 | 70.2 Ų | 70.2 | 37% | 0.372 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R2842 A2843 K2850 | R2842-A2846 WeakPolarHBondContact O-CB 3.41Å; R2842-A2846 PolarHBondContact O-N 2.89Å; A2843-A2846 PolarHBondContact O-N 3.37Å; A2846-K2850 WeakPolarHBondContact O-CG 3.33Å; A2846-K2850 PolarHBondContact O-N 3.3Å |
| 2847 | A | 64.4 | Low | 68.5 | Low | 19 Ų | 19 | 66.8 Ų | 66.8 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77.7 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y2797 A2843 T2844 R2845 E2849 K2850 L2851 | Y2797-A2847 HydrophobicContact CD2-CB 3.4Å; Y2797-A2847 VanDerWaalsContact CD2-CB 3.4Å; Y2797-A2847 HydrophobicContact CE2-CB 4.07Å; Y2797-A2847 HydrophobicContact CG-CB 4.32Å; A2843-A2847 WeakPolarHBondContact O-CB 3.45Å; A2843-A2847 PolarHBondContact O-N 3.06Å; T2844-A2847 PolarHBondContact O-N 3.49Å; R2845-A2847 PolarHBondContact O-N 2.88Å; A2847-E2849 VanDerWaalsContact C-N 3.35Å; A2847-K2850 PolarHBondContact O-N 3.43Å; A2847-L2851 PolarHBondContact O-N 2.75Å; A2847-L2851 VanDerWaalsContact O-N 3.16Å |
| 2848 | T | 70 | Confident | 70.3 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 171.7 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | Y2797 T2844 R2845 K2850 L2851 A2852 | Y2797-T2848 HydrophobicContact CD2-CG2 4.33Å; Y2797-T2848 HydrophobicContact CE2-CG2 3.62Å; T2844-T2848 WeakPolarHBondContact O-CG2 3.39Å; T2844-T2848 PolarHBondContact O-N 3.33Å; T2844-T2848 PolarHBondContact O-OG1 3.4Å; R2845-T2848 WeakPolarHBondContact CA-OG1 3.23Å; R2845-T2848 PolarHBondContact O-N 2.88Å; R2845-T2848 PolarHBondContact O-OG1 3.25Å; T2848-K2850 VanDerWaalsContact C-N 3.34Å; T2848-K2850 PolarHBondContact O-N 2.85Å; T2848-L2851 PolarHBondContact O-N 3.16Å; T2848-A2852 WeakPolarHBondContact O-CB 3.49Å; T2848-A2852 PolarHBondContact O-N 3.08Å |
| 2849 | E | 75 | Confident | 71.9 | Confident | 103 Ų | 103 | 61.2 Ų | 61.2 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 175.3 | -77 | 174.2 | -163.7 | 0 | 0 | 111.8 | R2845 A2847 A2852 R2853 | R2845-E2849 WeakPolarHBondContact O-CB 3.19Å; R2845-E2849 VanDerWaalsContact O-CG 3.31Å; R2845-E2849 WeakPolarHBondContact O-CG 3.37Å; R2845-E2849 PolarHBondContact O-N 2.92Å; A2847-E2849 VanDerWaalsContact C-N 3.35Å; E2849-A2852 PolarHBondContact O-N 3.02Å; E2849-R2853 WeakPolarHBondContact O-CG 3.36Å; E2849-R2853 PolarHBondContact O-N 2.94Å |
| 2850 | K | 75.8 | Confident | 73.5 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 34% | 0.335 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.6 | -75.1 | -179.8 | -178.9 | -158.7 | 0 | 112.1 | F2738 N2740 A2846 A2847 T2848 M2854 | F2738-K2850 HydrophobicContact CB-CB 4.32Å; F2738-K2850 HydrophobicContact CB-CD 3.85Å; F2738-K2850 HydrophobicContact CB-CG 4.25Å; F2738-K2850 HydrophobicContact CG-CB 4.49Å; F2738-K2850 HydrophobicContact CG-CD 4.36Å; N2740-K2850 PolarHBondContact OD1-NZ 3.15Å; A2846-K2850 WeakPolarHBondContact O-CG 3.33Å; A2846-K2850 PolarHBondContact O-N 3.3Å; A2847-K2850 PolarHBondContact O-N 3.43Å; T2848-K2850 VanDerWaalsContact C-N 3.34Å; T2848-K2850 PolarHBondContact O-N 2.85Å; K2850-M2854 PolarHBondContact O-N 2.74Å; K2850-M2854 VanDerWaalsContact O-N 3.14Å |
| 2851 | L | 76 | Confident | 74.9 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 175.3 | -70.3 | 173.9 | 0 | 0 | 0 | 111.8 | F2793 A2847 T2848 R2853 M2854 E2855 | F2793-L2851 HydrophobicContact CB-CD2 3.67Å; A2847-L2851 PolarHBondContact O-N 2.75Å; A2847-L2851 VanDerWaalsContact O-N 3.16Å; T2848-L2851 PolarHBondContact O-N 3.16Å; L2851-R2853 VanDerWaalsContact C-N 3.35Å; L2851-R2853 PolarHBondContact O-N 3.42Å; L2851-M2854 WeakPolarHBondContact O-CB 3.31Å; L2851-M2854 PolarHBondContact O-N 2.6Å; L2851-E2855 PolarHBondContact O-N 3.44Å |
| 2852 | A | 80 | Confident | 75.5 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 37% | 0.372 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T2848 E2849 M2854 E2855 D2856 | T2848-A2852 WeakPolarHBondContact O-CB 3.49Å; T2848-A2852 PolarHBondContact O-N 3.08Å; E2849-A2852 PolarHBondContact O-N 3.02Å; A2852-M2854 VanDerWaalsContact C-N 3.32Å; A2852-M2854 PolarHBondContact O-N 3.28Å; A2852-E2855 WeakPolarHBondContact O-CB 3.42Å; A2852-E2855 PolarHBondContact O-N 3.06Å; A2852-D2856 PolarHBondContact O-N 2.89Å |
| 2853 | R | 81.1 | Confident | 75.4 | Confident | 128 Ų | 128 | 47.2 Ų | 47.2 | 48% | 0.483 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 174.8 | -71.4 | -179.7 | -167.5 | -175.4 | 5.5 | 112.7 | E2849 L2851 D2856 R2857 | E2849-R2853 WeakPolarHBondContact O-CG 3.36Å; E2849-R2853 PolarHBondContact O-N 2.94Å; L2851-R2853 VanDerWaalsContact C-N 3.35Å; L2851-R2853 PolarHBondContact O-N 3.42Å; R2853-D2856 PolarHBondContact O-N 3.45Å; R2853-R2857 WeakPolarHBondContact O-CG 3.42Å; R2853-R2857 PolarHBondContact O-N 3.49Å |
| 2854 | M | 83.1 | Confident | 75.6 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.3 | 175.6 | 172.5 | 171.6 | 0 | 0 | 111.3 | V2709 L2710 F2738 F2793 K2850 L2851 A2852 R2857 L2858 | V2709-M2854 HydrophobicContact CG1-CE 3.66Å; V2709-M2854 HydrophobicContact CG1-CG 4.22Å; L2710-M2854 HydrophobicContact CD2-CE 3.92Å; L2710-M2854 HydrophobicContact CD2-SD 4.33Å; F2738-M2854 HydrophobicContact CE1-SD 4.47Å; F2793-M2854 HydrophobicContact CD2-CE 3.41Å; F2793-M2854 VanDerWaalsContact CD2-CE 3.41Å; F2793-M2854 HydrophobicContact CD2-SD 3.74Å; F2793-M2854 HydrophobicContact CE2-CE 3.22Å; F2793-M2854 HydrophobicContact CE2-SD 3.92Å; F2793-M2854 HydrophobicContact CG-CE 4.41Å; F2793-M2854 HydrophobicContact CG-SD 4.21Å; F2793-M2854 HydrophobicContact CZ-CE 4.11Å; K2850-M2854 PolarHBondContact O-N 2.74Å; K2850-M2854 VanDerWaalsContact O-N 3.14Å; L2851-M2854 WeakPolarHBondContact O-CB 3.31Å; L2851-M2854 PolarHBondContact O-N 2.6Å; A2852-M2854 VanDerWaalsContact C-N 3.32Å; A2852-M2854 PolarHBondContact O-N 3.28Å; M2854-R2857 PolarHBondContact O-N 2.98Å; M2854-L2858 HydrophobicContact CE-CD1 4.12Å; M2854-L2858 HydrophobicContact CG-CD1 4.33Å; M2854-L2858 WeakPolarHBondContact O-CG 3.44Å; M2854-L2858 PolarHBondContact O-N 3.23Å |
| 2855 | E | 85.3 | Confident | 75.4 | Confident | 64 Ų | 64 | 53 Ų | 53 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 175.1 | -174.8 | 176.6 | 174 | 0 | 0 | 111.8 | L2790 L2851 A2852 L2858 K2859 | L2790-E2855 HydrophobicContact CD1-CB 4.19Å; L2790-E2855 HydrophobicContact CD1-CG 3.97Å; L2790-E2855 HydrophobicContact CD2-CB 4.38Å; L2851-E2855 PolarHBondContact O-N 3.44Å; A2852-E2855 WeakPolarHBondContact O-CB 3.42Å; A2852-E2855 PolarHBondContact O-N 3.06Å; E2855-L2858 WeakPolarHBondContact O-CB 3.42Å; E2855-L2858 PolarHBondContact O-N 2.9Å; E2855-K2859 HydrophobicContact CG-CD 4.24Å; E2855-K2859 WeakPolarHBondContact O-CG 3.3Å; E2855-K2859 PolarHBondContact O-N 3.22Å; E2855-K2859 WeakPolarHBondContact OE1-CE 3.49Å; E2855-K2859 IonicContact OE1-NZ 2.78Å; E2855-K2859 PolarHBondContact OE1-NZ 3.24Å |
| 2856 | D | 86.2 | Confident | 74.8 | Confident | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.2 | -78.4 | -30.1 | 0 | 0 | 0 | 111.7 | A2852 R2853 L2858 K2859 G2860 K2861 | A2852-D2856 PolarHBondContact O-N 2.89Å; R2853-D2856 PolarHBondContact O-N 3.45Å; D2856-L2858 VanDerWaalsContact C-N 3.32Å; D2856-L2858 PolarHBondContact O-N 3.04Å; D2856-K2859 CarbonylContact O-C 3.55Å; D2856-K2859 PolarHBondContact O-N 2.79Å; D2856-K2859 VanDerWaalsContact O-N 3.12Å; D2856-G2860 PolarHBondContact O-N 3.15Å; D2856-G2860 VanDerWaalsContact O-N 3.13Å; D2856-K2861 HydrophobicContact CB-CB 4.15Å; D2856-K2861 HydrophobicContact CB-CD 4.3Å; D2856-K2861 PolarHBondContact O-N 3.4Å; D2856-K2861 WeakPolarHBondContact OD1-CD 3.4Å; D2856-K2861 IonicContact OD1-NZ 3.89Å |
| 2857 | R | 87.3 | Confident | 74.3 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 173.9 | -74.2 | -168.8 | -67.7 | -103.8 | 10.6 | 112.3 | Y2708 V2709 N2739 R2853 M2854 K2859 G2860 Q2879 | Y2708-R2857 HydrophobicContact CE1-CB 4.05Å; Y2708-R2857 HydrophobicContact CE1-CG 4.15Å; Y2708-R2857 PolarHBondContact O-NE 3.12Å; V2709-R2857 PolarHBondContact O-NE 2.9Å; V2709-R2857 PolarHBondContact O-NH2 2.96Å; N2739-R2857 PolarHBondContact ND2-NH1 3.27Å; N2739-R2857 PolarHBondContact OD1-NH1 3.12Å; R2853-R2857 WeakPolarHBondContact O-CG 3.42Å; R2853-R2857 PolarHBondContact O-N 3.49Å; M2854-R2857 PolarHBondContact O-N 2.98Å; R2857-K2859 VanDerWaalsContact C-N 3.31Å; R2857-G2860 PolarHBondContact O-N 3.18Å; R2857-Q2879 PolarHBondContact O-NE2 2.96Å |
| 2858 | L | 87 | Confident | 73.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -32.8 | 175.7 | -80.1 | 170 | 0 | 0 | 0 | 112.4 | V2709 M2779 L2782 R2783 I2786 L2789 M2854 E2855 D2856 G2860 | V2709-L2858 HydrophobicContact CB-CD2 4.44Å; V2709-L2858 HydrophobicContact CG1-CD1 4.17Å; V2709-L2858 HydrophobicContact CG1-CD2 3.64Å; V2709-L2858 HydrophobicContact CG1-CG 3.74Å; V2709-L2858 HydrophobicContact CG2-CD2 3.88Å; V2709-L2858 HydrophobicContact CG2-CG 4.42Å; M2779-L2858 HydrophobicContact CE-CD2 4.37Å; L2782-L2858 HydrophobicContact CB-CD2 3.83Å; R2783-L2858 WeakPolarHBondContact CD-O 3.32Å; R2783-L2858 WeakPolarHBondContact CG-O 3.32Å; R2783-L2858 PolarHBondContact NE-O 3.49Å; I2786-L2858 HydrophobicContact CD1-CB 4.01Å; I2786-L2858 HydrophobicContact CG1-CB 3.98Å; I2786-L2858 HydrophobicContact CG1-CD1 4.33Å; I2786-L2858 HydrophobicContact CG2-CD1 4.25Å; L2789-L2858 HydrophobicContact CD1-CD2 4.5Å; M2854-L2858 HydrophobicContact CE-CD1 4.12Å; M2854-L2858 HydrophobicContact CG-CD1 4.33Å; M2854-L2858 WeakPolarHBondContact O-CG 3.44Å; M2854-L2858 PolarHBondContact O-N 3.23Å; E2855-L2858 WeakPolarHBondContact O-CB 3.42Å; E2855-L2858 PolarHBondContact O-N 2.9Å; D2856-L2858 VanDerWaalsContact C-N 3.32Å; D2856-L2858 PolarHBondContact O-N 3.04Å; L2858-G2860 PolarHBondContact O-N 3.25Å |
| 2859 | K | 86.8 | Confident | 73.4 | Confident | 88 Ų | 88 | 58 Ų | 58 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.9 | -7.4 | 174.5 | -72 | 175 | -176.7 | 170.9 | 0 | 113.4 | I2786 E2855 D2856 R2857 P2873 | I2786-K2859 HydrophobicContact CD1-CG 4.23Å; E2855-K2859 HydrophobicContact CG-CD 4.24Å; E2855-K2859 WeakPolarHBondContact O-CG 3.3Å; E2855-K2859 PolarHBondContact O-N 3.22Å; E2855-K2859 WeakPolarHBondContact OE1-CE 3.49Å; E2855-K2859 IonicContact OE1-NZ 2.78Å; E2855-K2859 PolarHBondContact OE1-NZ 3.24Å; D2856-K2859 CarbonylContact O-C 3.55Å; D2856-K2859 PolarHBondContact O-N 2.79Å; D2856-K2859 VanDerWaalsContact O-N 3.12Å; R2857-K2859 VanDerWaalsContact C-N 3.31Å; K2859-P2873 WeakPolarHBondContact O-CB 3.48Å |
| 2860 | G | 83.5 | Confident | 72.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 17.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | D2856 R2857 L2858 M2874 | D2856-G2860 PolarHBondContact O-N 3.15Å; D2856-G2860 VanDerWaalsContact O-N 3.13Å; R2857-G2860 PolarHBondContact O-N 3.18Å; L2858-G2860 PolarHBondContact O-N 3.25Å; G2860-M2874 PolarHBondContact O-N 3.15Å |
| 2861 | K | 81.9 | Confident | 72.4 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | trans | -89.1 | 121.4 | 170.9 | -64.1 | 173.9 | 174.6 | -175.6 | 0 | 108.7 | D2856 Q2870 | D2856-K2861 HydrophobicContact CB-CB 4.15Å; D2856-K2861 HydrophobicContact CB-CD 4.3Å; D2856-K2861 PolarHBondContact O-N 3.4Å; D2856-K2861 WeakPolarHBondContact OD1-CD 3.4Å; D2856-K2861 IonicContact OD1-NZ 3.89Å; K2861-Q2870 WeakPolarHBondContact CD-O 3.27Å | ||
| 2862 | I | 71.3 | Confident | 72.4 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | trans | -97.2 | 111 | 179.4 | -54.4 | 179.6 | 0 | 0 | 0 | 107.7 | E2864 S2869 M2874 Q2879 T2882 | I2862-E2864 PolarHBondContact O-N 3.31Å; I2862-S2869 PolarHBondContact N-O 3.4Å; I2862-M2874 HydrophobicContact CD1-SD 3.5Å; I2862-M2874 WeakPolarHBondContact CD1-SD 3.35Å; I2862-M2874 HydrophobicContact CG1-SD 4.18Å; I2862-Q2879 HydrophobicContact CD1-CG 4.38Å; I2862-T2882 HydrophobicContact CD1-CG2 3.74Å | ||
| 2863 | T | 59.8 | Low | 72.5 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 28% | 0.282 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -17.2 | -170 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | Q2870 | T2863-Q2870 PolarHBondContact O-NE2 3.17Š|
| 2864 | E | 60.1 | Low | 72.8 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 48% | 0.477 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -6.4 | -173.4 | -61.2 | -171.4 | 178.9 | 0 | 0 | 114.3 | L2742 I2862 | L2742-E2864 WeakPolarHBondContact CD1-OE1 2.92Å; I2862-E2864 PolarHBondContact O-N 3.31Å |
| 2865 | H | 57.3 | Low | 73.2 | Confident | 64 Ų | 64 | 65.3 Ų | 65.3 | 30% | 0.296 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -96.5 | 169.9 | 178.6 | -92.9 | -78.8 | 0 | 0 | 0 | 112.6 | E2886 | H2865-E2886 IonicContact CD2-OE1 2.79Å; H2865-E2886 PolarHBondContact CD2-OE1 3.48Å; H2865-E2886 IonicContact NE2-OE1 3.43Å; H2865-E2886 PolarHBondContact NE2-OE1 3.31Å; H2865-E2886 VanDerWaalsContact NE2-OE1 3.07Å |
| 2866 | D | 53.7 | Low | 73.5 | Confident | 121 Ų | 121 | 63.1 Ų | 63.1 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | trans | -33.4 | 146.9 | 177.4 | -60.7 | -26.6 | 0 | 0 | 0 | 113.5 | F2868 S2869 | D2866-F2868 PolarHBondContact O-N 2.94Å; D2866-S2869 PolarHBondContact O-N 3.43Å | ||
| 2867 | G | 54.7 | Low | 73.8 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 49% | 0.485 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -49.2 | -25.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | I2871 | G2867-I2871 VanDerWaalsContact O-CD1 3.28Å; G2867-I2871 WeakPolarHBondContact O-CD1 3.39Å; G2867-I2871 VanDerWaalsContact O-CG1 3.29Å; G2867-I2871 WeakPolarHBondContact O-CG1 3.2Å |
| 2868 | F | 57 | Low | 74 | Confident | 158 Ų | 158 | 65.3 Ų | 65.3 | 69% | 0.693 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.6 | -37.3 | 173.6 | -75 | -80.2 | 0 | 0 | 0 | 114.7 | D2866 Q2870 I2871 L2872 | D2866-F2868 PolarHBondContact O-N 2.94Å; F2868-Q2870 PolarHBondContact O-N 3.4Å; F2868-I2871 PolarHBondContact O-N 3.13Å; F2868-L2872 PolarHBondContact O-N 2.97Å |
| 2869 | S | 59.2 | Low | 74.2 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.9 | -17.8 | -179.4 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | I2862 D2866 | I2862-S2869 PolarHBondContact N-O 3.4Å; D2866-S2869 PolarHBondContact O-N 3.43Å |
| 2870 | Q | 62.4 | Low | 74.5 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -78.3 | -24.6 | 170.2 | -61.9 | -178.1 | -6 | 0 | 0 | 111.9 | K2861 T2863 F2868 | K2861-Q2870 WeakPolarHBondContact CD-O 3.27Å; T2863-Q2870 PolarHBondContact O-NE2 3.17Å; F2868-Q2870 PolarHBondContact O-N 3.4Å |
| 2871 | I | 66.2 | Low | 74.9 | Confident | 122 Ų | 122 | 63 Ų | 63 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -94.9 | -47.4 | -174.7 | -60.3 | 165.1 | 0 | 0 | 0 | 110.9 | G2867 F2868 | G2867-I2871 VanDerWaalsContact O-CD1 3.28Å; G2867-I2871 WeakPolarHBondContact O-CD1 3.39Å; G2867-I2871 VanDerWaalsContact O-CG1 3.29Å; G2867-I2871 WeakPolarHBondContact O-CG1 3.2Å; F2868-I2871 PolarHBondContact O-N 3.13Å |
| 2872 | L | 77.1 | Confident | 75.3 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 60% | 0.602 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -98.8 | 122.7 | -175.4 | -74.8 | 158.8 | 0 | 0 | 0 | 111.3 | F2868 M2874 | F2868-L2872 PolarHBondContact O-N 2.97Å; L2872-M2874 PolarHBondContact O-N 3.08Å |
| 2873 | P | 82.7 | Confident | 76.3 | Confident | 81 Ų | 81 | 61.1 Ų | 61.1 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -69 | 128.1 | 177.4 | 28.3 | -32.8 | 0 | 0 | 0 | 110.7 | K2859 | K2859-P2873 WeakPolarHBondContact O-CB 3.48Š|
| 2874 | M | 86.2 | Confident | 77.8 | Confident | 55 Ų | 55 | 59 Ų | 59 | 27% | 0.271 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 155.6 | 174.7 | -63.2 | -171.7 | 73.6 | 0 | 0 | 111.3 | R2783 G2860 I2862 L2872 G2878 Q2879 T2882 | R2783-M2874 VanDerWaalsContact CZ-O 3.31Å; R2783-M2874 PolarHBondContact NH1-O 3.23Å; R2783-M2874 PolarHBondContact NH2-O 3.32Å; G2860-M2874 PolarHBondContact O-N 3.15Å; I2862-M2874 HydrophobicContact CD1-SD 3.5Å; I2862-M2874 WeakPolarHBondContact CD1-SD 3.35Å; I2862-M2874 HydrophobicContact CG1-SD 4.18Å; L2872-M2874 PolarHBondContact O-N 3.08Å; M2874-G2878 WeakPolarHBondContact CE-O 3.42Å; M2874-Q2879 HydrophobicContact CB-CB 4.34Å; M2874-T2882 WeakPolarHBondContact CE-OG1 3.36Å |
| 2875 | S | 91.3 | Very high | 79.2 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 47% | 0.469 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 166.9 | 166 | 69.2 | 0 | 0 | 0 | 0 | 110.9 | R2783 G2878 Q2879 | R2783-S2875 PolarHBondContact NH2-O 3.34Å; R2783-S2875 VanDerWaalsContact NH2-O 3.17Å; S2875-G2878 PolarHBondContact OG-N 3.38Å; S2875-Q2879 WeakPolarHBondContact O-CB 3.27Å; S2875-Q2879 PolarHBondContact O-N 2.93Å |
| 2876 | V | 92.5 | Very high | 80.8 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 179.2 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | E2776 M2779 R2780 G2878 Q2879 V2880 | E2776-V2876 WeakPolarHBondContact O-CG1 3.19Å; M2779-V2876 HydrophobicContact CB-CG1 3.83Å; M2779-V2876 HydrophobicContact CG-CG1 4.11Å; R2780-V2876 HydrophobicContact CB-CG1 4.22Å; R2780-V2876 HydrophobicContact CB-CG2 4.34Å; V2876-G2878 VanDerWaalsContact C-N 3.34Å; V2876-G2878 PolarHBondContact O-N 2.94Å; V2876-Q2879 PolarHBondContact O-N 3.45Å; V2876-V2880 VanDerWaalsContact O-CG2 3.31Å; V2876-V2880 WeakPolarHBondContact O-CG2 3.4Å; V2876-V2880 PolarHBondContact O-N 3.18Å |
| 2877 | E | 92.1 | Very high | 82.6 | Confident | 80 Ų | 80 | 51.3 Ų | 51.3 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 179.2 | -56.6 | 79.2 | -173.2 | 0 | 0 | 110.7 | E2776 R2780 V2880 D2881 | E2776-E2877 HydrophobicContact CG-CG 4.36Å; R2780-E2877 IonicContact CZ-OE1 3.56Å; R2780-E2877 IonicContact NH2-OE1 3.17Å; R2780-E2877 PolarHBondContact NH2-OE1 3.06Å; E2877-V2880 PolarHBondContact O-N 2.85Å; E2877-D2881 WeakPolarHBondContact O-CB 3.3Å; E2877-D2881 PolarHBondContact O-N 3.43Å |
| 2878 | G | 90.8 | Very high | 84.2 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M2874 S2875 V2876 D2881 T2882 | M2874-G2878 WeakPolarHBondContact CE-O 3.42Å; S2875-G2878 PolarHBondContact OG-N 3.38Å; V2876-G2878 VanDerWaalsContact C-N 3.34Å; V2876-G2878 PolarHBondContact O-N 2.94Å; G2878-D2881 PolarHBondContact O-N 3.18Å; G2878-T2882 PolarHBondContact O-N 3.1Å; G2878-T2882 PolarHBondContact O-OG1 3.37Å; G2878-T2882 VanDerWaalsContact O-OG1 3.12Å |
| 2879 | Q | 91.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.1 | -47 | 174.9 | -178.6 | 178.3 | 27.6 | 0 | 0 | 111.2 | R2857 I2862 M2874 S2875 V2876 D2881 T2882 L2883 | R2857-Q2879 PolarHBondContact O-NE2 2.96Å; I2862-Q2879 HydrophobicContact CD1-CG 4.38Å; M2874-Q2879 HydrophobicContact CB-CB 4.34Å; S2875-Q2879 WeakPolarHBondContact O-CB 3.27Å; S2875-Q2879 PolarHBondContact O-N 2.93Å; V2876-Q2879 PolarHBondContact O-N 3.45Å; Q2879-D2881 VanDerWaalsContact C-N 3.32Å; Q2879-D2881 PolarHBondContact O-N 2.71Å; Q2879-T2882 PolarHBondContact O-N 3Å; Q2879-L2883 HydrophobicContact CG-CD1 3.93Å; Q2879-L2883 HydrophobicContact CG-CG 4.36Å; Q2879-L2883 WeakPolarHBondContact O-CG 3.4Å; Q2879-L2883 PolarHBondContact O-N 3.15Å |
| 2880 | V | 93.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 178.9 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | M2705 E2776 M2779 V2876 E2877 L2883 I2884 | M2705-V2880 HydrophobicContact SD-CG2 4.02Å; E2776-V2880 HydrophobicContact CG-CB 4.29Å; E2776-V2880 HydrophobicContact CG-CG1 4.23Å; E2776-V2880 HydrophobicContact CG-CG2 4.27Å; M2779-V2880 HydrophobicContact CB-CG2 4.1Å; V2876-V2880 VanDerWaalsContact O-CG2 3.31Å; V2876-V2880 WeakPolarHBondContact O-CG2 3.4Å; V2876-V2880 PolarHBondContact O-N 3.18Å; E2877-V2880 PolarHBondContact O-N 2.85Å; V2880-L2883 PolarHBondContact O-N 3.35Å; V2880-I2884 HydrophobicContact CG1-CD1 3.69Å; V2880-I2884 HydrophobicContact CG1-CG1 4.3Å; V2880-I2884 WeakPolarHBondContact O-CB 3.38Å; V2880-I2884 VanDerWaalsContact O-CG1 3.28Å; V2880-I2884 WeakPolarHBondContact O-CG1 3.47Å; V2880-I2884 PolarHBondContact O-N 2.98Å |
| 2881 | D | 90.9 | Very high | 88.4 | Confident | 40 Ų | 40 | 44.1 Ų | 44.1 | 21% | 0.214 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 177.3 | -172.2 | 60.7 | 0 | 0 | 0 | 112.6 | R2772 E2877 G2878 Q2879 L2883 I2884 K2885 | R2772-D2881 IonicContact CZ-OD1 3.54Å; R2772-D2881 IonicContact NH1-OD1 3.77Å; R2772-D2881 PolarHBondContact NH1-OD1 3.47Å; R2772-D2881 IonicContact NH2-OD1 2.64Å; R2772-D2881 PolarHBondContact NH2-OD1 3.3Å; E2877-D2881 WeakPolarHBondContact O-CB 3.3Å; E2877-D2881 PolarHBondContact O-N 3.43Å; G2878-D2881 PolarHBondContact O-N 3.18Å; Q2879-D2881 VanDerWaalsContact C-N 3.32Å; Q2879-D2881 PolarHBondContact O-N 2.71Å; D2881-L2883 VanDerWaalsContact C-N 3.35Å; D2881-L2883 PolarHBondContact O-N 3.49Å; D2881-I2884 PolarHBondContact O-N 2.85Å; D2881-K2885 WeakPolarHBondContact O-CG 3.36Å; D2881-K2885 PolarHBondContact O-N 2.62Å; D2881-K2885 IonicContact OD1-NZ 2.79Å; D2881-K2885 WeakPolarHBondContact OD2-CE 3.46Å; D2881-K2885 IonicContact OD2-NZ 3.81Å; D2881-K2885 PolarHBondContact OD2-NZ 3.11Å |
| 2882 | T | 90.6 | Very high | 89.6 | Confident | 24 Ų | 24 | 40.5 Ų | 40.5 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.2 | -49 | 174.8 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | I2862 M2874 G2878 Q2879 I2884 K2885 E2886 | I2862-T2882 HydrophobicContact CD1-CG2 3.74Å; M2874-T2882 WeakPolarHBondContact CE-OG1 3.36Å; G2878-T2882 PolarHBondContact O-N 3.1Å; G2878-T2882 PolarHBondContact O-OG1 3.37Å; G2878-T2882 VanDerWaalsContact O-OG1 3.12Å; Q2879-T2882 PolarHBondContact O-N 3Å; T2882-I2884 VanDerWaalsContact C-N 3.34Å; T2882-I2884 PolarHBondContact O-N 3.34Å; T2882-K2885 PolarHBondContact O-N 2.84Å; T2882-E2886 HydrophobicContact CG2-CG 4.24Å; T2882-E2886 VanDerWaalsContact O-CG 3.26Å; T2882-E2886 WeakPolarHBondContact O-CG 3.21Å; T2882-E2886 PolarHBondContact O-N 3.33Å |
| 2883 | L | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -37.8 | -177.8 | -67.7 | 173.8 | 0 | 0 | 0 | 113.4 | M2705 Y2708 P2751 F2752 Q2879 V2880 D2881 E2886 A2887 | M2705-L2883 HydrophobicContact CE-CD1 4.46Å; M2705-L2883 HydrophobicContact SD-CD1 4.41Å; Y2708-L2883 HydrophobicContact CD1-CD1 3.55Å; Y2708-L2883 HydrophobicContact CD1-CD2 4.25Å; Y2708-L2883 HydrophobicContact CD2-CD1 4.26Å; Y2708-L2883 HydrophobicContact CD2-CD2 3.52Å; Y2708-L2883 HydrophobicContact CE1-CD1 3.67Å; Y2708-L2883 HydrophobicContact CE1-CD2 4.05Å; Y2708-L2883 HydrophobicContact CE1-CG 4.46Å; Y2708-L2883 HydrophobicContact CE2-CD1 4.35Å; Y2708-L2883 HydrophobicContact CE2-CD2 3.25Å; Y2708-L2883 HydrophobicContact CE2-CG 4.42Å; Y2708-L2883 HydrophobicContact CG-CD1 3.86Å; Y2708-L2883 HydrophobicContact CG-CD2 4.01Å; P2751-L2883 HydrophobicContact CB-CD2 4.03Å; P2751-L2883 HydrophobicContact CG-CD2 4.26Å; F2752-L2883 HydrophobicContact CE1-CB 4Å; Q2879-L2883 HydrophobicContact CG-CD1 3.93Å; Q2879-L2883 HydrophobicContact CG-CG 4.36Å; Q2879-L2883 WeakPolarHBondContact O-CG 3.4Å; Q2879-L2883 PolarHBondContact O-N 3.15Å; V2880-L2883 PolarHBondContact O-N 3.35Å; D2881-L2883 VanDerWaalsContact C-N 3.35Å; D2881-L2883 PolarHBondContact O-N 3.49Å; L2883-E2886 PolarHBondContact O-N 3.47Å; L2883-A2887 WeakPolarHBondContact O-CB 3.48Å; L2883-A2887 PolarHBondContact O-N 3.23Å |
| 2884 | I | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -49 | 174.8 | -72.8 | 172.2 | 0 | 0 | 0 | 109.8 | L2754 Y2767 F2771 R2772 V2880 D2881 T2882 E2886 A2887 T2888 | L2754-I2884 HydrophobicContact CD2-CG2 4.46Å; Y2767-I2884 HydrophobicContact CD1-CG2 4Å; Y2767-I2884 HydrophobicContact CD2-CD1 4.45Å; Y2767-I2884 HydrophobicContact CD2-CG2 3.5Å; Y2767-I2884 HydrophobicContact CE1-CG2 4Å; Y2767-I2884 HydrophobicContact CE2-CG2 3.53Å; Y2767-I2884 HydrophobicContact CG-CG2 3.76Å; F2771-I2884 HydrophobicContact CD1-CD1 4.21Å; F2771-I2884 HydrophobicContact CE1-CD1 4.08Å; F2771-I2884 HydrophobicContact CE1-CG1 3.99Å; R2772-I2884 HydrophobicContact CB-CD1 4.25Å; R2772-I2884 HydrophobicContact CG-CD1 4.37Å; V2880-I2884 HydrophobicContact CG1-CD1 3.69Å; V2880-I2884 HydrophobicContact CG1-CG1 4.3Å; V2880-I2884 WeakPolarHBondContact O-CB 3.38Å; V2880-I2884 VanDerWaalsContact O-CG1 3.28Å; V2880-I2884 WeakPolarHBondContact O-CG1 3.47Å; V2880-I2884 PolarHBondContact O-N 2.98Å; D2881-I2884 PolarHBondContact O-N 2.85Å; T2882-I2884 VanDerWaalsContact C-N 3.34Å; T2882-I2884 PolarHBondContact O-N 3.34Å; I2884-E2886 VanDerWaalsContact C-N 3.3Å; I2884-E2886 PolarHBondContact O-N 2.91Å; I2884-A2887 PolarHBondContact O-N 3.34Å; I2884-A2887 VanDerWaalsContact O-N 3.14Å; I2884-T2888 PolarHBondContact O-N 3.04Å; I2884-T2888 PolarHBondContact O-OG1 2.92Å; I2884-T2888 VanDerWaalsContact O-OG1 3.06Å |
| 2885 | K | 89.8 | Confident | 90.7 | Very high | 115 Ų | 115 | 31.2 Ų | 31.2 | 50% | 0.5 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.5 | -41.8 | 178.1 | -74 | 170.9 | 175.6 | 166.2 | 0 | 111.8 | D2881 T2882 A2887 T2888 D2889 | D2881-K2885 WeakPolarHBondContact O-CG 3.36Å; D2881-K2885 PolarHBondContact O-N 2.62Å; D2881-K2885 IonicContact OD1-NZ 2.79Å; D2881-K2885 WeakPolarHBondContact OD2-CE 3.46Å; D2881-K2885 IonicContact OD2-NZ 3.81Å; D2881-K2885 PolarHBondContact OD2-NZ 3.11Å; T2882-K2885 PolarHBondContact O-N 2.84Å; K2885-A2887 VanDerWaalsContact C-N 3.35Å; K2885-T2888 PolarHBondContact O-N 3.48Å; K2885-T2888 PolarHBondContact O-OG1 3.36Å; K2885-D2889 WeakPolarHBondContact O-CA 3.44Å; K2885-D2889 VanDerWaalsContact O-CB 3.29Å; K2885-D2889 WeakPolarHBondContact O-CB 3.17Å; K2885-D2889 PolarHBondContact O-N 3.06Å |
| 2886 | E | 90.2 | Very high | 90.7 | Very high | 12 Ų | 12 | 28.1 Ų | 28.1 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -35.9 | 176.5 | -70.6 | -172.2 | 144.7 | 0 | 0 | 113.1 | P2751 H2865 T2882 L2883 I2884 R2892 | P2751-E2886 HydrophobicContact CG-CB 3.93Å; H2865-E2886 IonicContact CD2-OE1 2.79Å; H2865-E2886 PolarHBondContact CD2-OE1 3.48Å; H2865-E2886 IonicContact NE2-OE1 3.43Å; H2865-E2886 PolarHBondContact NE2-OE1 3.31Å; H2865-E2886 VanDerWaalsContact NE2-OE1 3.07Å; T2882-E2886 HydrophobicContact CG2-CG 4.24Å; T2882-E2886 VanDerWaalsContact O-CG 3.26Å; T2882-E2886 WeakPolarHBondContact O-CG 3.21Å; T2882-E2886 PolarHBondContact O-N 3.33Å; L2883-E2886 PolarHBondContact O-N 3.47Å; I2884-E2886 VanDerWaalsContact C-N 3.3Å; I2884-E2886 PolarHBondContact O-N 2.91Å; E2886-R2892 VanDerWaalsContact CD-CZ 3.49Å; E2886-R2892 VanDerWaalsContact CG-CZ 3.44Å; E2886-R2892 IonicContact OE1-CZ 2.79Å; E2886-R2892 VanDerWaalsContact OE1-CZ 3.23Å; E2886-R2892 IonicContact OE1-NH1 3.26Å; E2886-R2892 PolarHBondContact OE1-NH1 3.15Å; E2886-R2892 IonicContact OE1-NH2 3.19Å; E2886-R2892 PolarHBondContact OE1-NH2 2.91Å; E2886-R2892 IonicContact OE2-NH1 2.77Å; E2886-R2892 PolarHBondContact OE2-NH1 3.33Å |
| 2887 | A | 91.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.6 | -29.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P2751 F2752 L2754 L2883 I2884 K2885 | P2751-A2887 HydrophobicContact CG-CB 4.13Å; F2752-A2887 HydrophobicContact CD2-CB 3.9Å; F2752-A2887 HydrophobicContact CE1-CB 4.38Å; F2752-A2887 HydrophobicContact CE2-CB 3.55Å; F2752-A2887 HydrophobicContact CG-CB 4.44Å; F2752-A2887 HydrophobicContact CZ-CB 3.81Å; L2754-A2887 HydrophobicContact CB-CB 3.89Å; L2883-A2887 WeakPolarHBondContact O-CB 3.48Å; L2883-A2887 PolarHBondContact O-N 3.23Å; I2884-A2887 PolarHBondContact O-N 3.34Å; I2884-A2887 VanDerWaalsContact O-N 3.14Å; K2885-A2887 VanDerWaalsContact C-N 3.35Å |
| 2888 | T | 89.4 | Confident | 90.4 | Very high | 36 Ų | 36 | 32.5 Ų | 32.5 | 22% | 0.221 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -98.5 | -3.4 | 178.6 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | L2754 V2759 Y2767 I2884 K2885 V2890 | L2754-T2888 HydrophobicContact CD2-CG2 3.89Å; L2754-T2888 HydrophobicContact CG-CG2 4.12Å; V2759-T2888 HydrophobicContact CG2-CG2 4.5Å; Y2767-T2888 HydrophobicContact CD1-CG2 4.18Å; Y2767-T2888 HydrophobicContact CE1-CG2 3.89Å; I2884-T2888 PolarHBondContact O-N 3.04Å; I2884-T2888 PolarHBondContact O-OG1 2.92Å; I2884-T2888 VanDerWaalsContact O-OG1 3.06Å; K2885-T2888 PolarHBondContact O-N 3.48Å; K2885-T2888 PolarHBondContact O-OG1 3.36Å; T2888-V2890 PolarHBondContact O-N 3.4Å |
| 2889 | D | 88.9 | Confident | 90.2 | Very high | 56 Ų | 56 | 33 Ų | 33 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | trans | -62.8 | 121.2 | -179.7 | -176.5 | 5.7 | 0 | 0 | 0 | 111.2 | K2885 D2891 R2892 L2893 | K2885-D2889 WeakPolarHBondContact O-CA 3.44Å; K2885-D2889 VanDerWaalsContact O-CB 3.29Å; K2885-D2889 WeakPolarHBondContact O-CB 3.17Å; K2885-D2889 PolarHBondContact O-N 3.06Å; D2889-D2891 PolarHBondContact O-N 2.88Å; D2889-D2891 PolarHBondContact OD1-N 3.33Å; D2889-R2892 HydrophobicContact CB-CB 4.26Å; D2889-R2892 HydrophobicContact CB-CG 4.24Å; D2889-R2892 PolarHBondContact O-N 2.82Å; D2889-L2893 WeakPolarHBondContact O-CB 3.26Å; D2889-L2893 WeakPolarHBondContact O-CG 3.24Å; D2889-L2893 PolarHBondContact O-N 3.44Å | ||
| 2890 | V | 88 | Confident | 90.1 | Very high | 45 Ų | 45 | 33.3 Ų | 33.3 | 27% | 0.273 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59 | -38.8 | 178.6 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | R2660 Y2663 L2664 T2888 R2892 L2893 C2894 | R2660-V2890 HydrophobicContact CG-CG1 4.27Å; Y2663-V2890 HydrophobicContact CD1-CG1 3.9Å; Y2663-V2890 HydrophobicContact CE1-CG1 4.14Å; L2664-V2890 HydrophobicContact CD1-CG1 4.24Å; L2664-V2890 HydrophobicContact CD2-CG1 3.8Å; L2664-V2890 HydrophobicContact CG-CG1 4Å; T2888-V2890 PolarHBondContact O-N 3.4Å; V2890-R2892 VanDerWaalsContact C-N 3.32Å; V2890-R2892 PolarHBondContact O-N 3.29Å; V2890-L2893 PolarHBondContact O-N 3.23Å; V2890-C2894 WeakPolarHBondContact O-CB 3.39Å; V2890-C2894 PolarHBondContact O-N 3.31Å; V2890-C2894 PolarHBondContact O-SG 2.74Å; V2890-C2894 VanDerWaalsContact O-SG 3.37Å |
| 2891 | D | 89.5 | Confident | 89.9 | Confident | 42 Ų | 42 | 33.3 Ų | 33.3 | 23% | 0.225 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.8 | -31.6 | -177.2 | -71.4 | -28.5 | 0 | 0 | 0 | 111.5 | L2656 R2660 D2889 C2894 Q2895 | L2656-D2891 HydrophobicContact CD1-CB 4.34Å; L2656-D2891 WeakPolarHBondContact CD1-O 3.24Å; L2656-D2891 HydrophobicContact CD2-CB 4.33Å; R2660-D2891 WeakPolarHBondContact CD-OD1 3.46Å; R2660-D2891 IonicContact CZ-OD1 2.75Å; R2660-D2891 IonicContact NE-OD1 3.02Å; R2660-D2891 IonicContact NH1-OD1 3.4Å; R2660-D2891 PolarHBondContact NH1-OD1 3.35Å; R2660-D2891 IonicContact NH1-OD2 3.38Å; R2660-D2891 PolarHBondContact NH1-OD2 2.87Å; D2889-D2891 PolarHBondContact O-N 2.88Å; D2889-D2891 PolarHBondContact OD1-N 3.33Å; D2891-C2894 PolarHBondContact O-SG 2.85Å; D2891-Q2895 WeakPolarHBondContact O-CG 3.42Å; D2891-Q2895 PolarHBondContact O-NE2 3.33Å |
| 2892 | R | 90.6 | Very high | 89.8 | Confident | 46 Ų | 46 | 31.4 Ų | 31.4 | 17% | 0.174 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -79.6 | -41.1 | 172.7 | -64.9 | -173.1 | -173.1 | -168 | 10.2 | 111.8 | R2749 V2750 E2886 D2889 V2890 C2894 Q2895 | R2749-R2892 HydrophobicContact CB-CB 4.42Å; V2750-R2892 HydrophobicContact CG1-CB 3.78Å; E2886-R2892 VanDerWaalsContact CD-CZ 3.49Å; E2886-R2892 VanDerWaalsContact CG-CZ 3.44Å; E2886-R2892 IonicContact OE1-CZ 2.79Å; E2886-R2892 VanDerWaalsContact OE1-CZ 3.23Å; E2886-R2892 IonicContact OE1-NH1 3.26Å; E2886-R2892 PolarHBondContact OE1-NH1 3.15Å; E2886-R2892 IonicContact OE1-NH2 3.19Å; E2886-R2892 PolarHBondContact OE1-NH2 2.91Å; E2886-R2892 IonicContact OE2-NH1 2.77Å; E2886-R2892 PolarHBondContact OE2-NH1 3.33Å; D2889-R2892 HydrophobicContact CB-CB 4.26Å; D2889-R2892 HydrophobicContact CB-CG 4.24Å; D2889-R2892 PolarHBondContact O-N 2.82Å; V2890-R2892 VanDerWaalsContact C-N 3.32Å; V2890-R2892 PolarHBondContact O-N 3.29Å; R2892-C2894 PolarHBondContact O-N 3.47Å; R2892-Q2895 WeakPolarHBondContact O-CB 3.42Å; R2892-Q2895 PolarHBondContact O-N 3.42Å; R2892-Q2895 VanDerWaalsContact O-N 3.16Å |
| 2893 | L | 89.5 | Confident | 89.4 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 178.9 | -75.7 | 170.7 | 0 | 0 | 0 | 112.6 | V2750 T2755 D2889 V2890 Q2895 M2896 W2900 P2902 | V2750-L2893 HydrophobicContact CG1-CD2 4.04Å; V2750-L2893 HydrophobicContact CG1-CG 4.29Å; T2755-L2893 HydrophobicContact CG2-CD2 4.32Å; D2889-L2893 WeakPolarHBondContact O-CB 3.26Å; D2889-L2893 WeakPolarHBondContact O-CG 3.24Å; D2889-L2893 PolarHBondContact O-N 3.44Å; V2890-L2893 PolarHBondContact O-N 3.23Å; L2893-Q2895 PolarHBondContact O-N 3.46Å; L2893-M2896 WeakPolarHBondContact O-CB 3.46Å; L2893-M2896 WeakPolarHBondContact O-CG 3.31Å; L2893-M2896 PolarHBondContact O-N 3.37Å; L2893-M2896 VanDerWaalsContact O-N 3.1Å; L2893-W2900 HydrophobicContact CD2-CH2 4Å; L2893-W2900 HydrophobicContact CD2-CZ3 3.83Å; L2893-P2902 HydrophobicContact CD2-CB 4.36Å; L2893-P2902 WeakPolarHBondContact O-CB 3.45Å |
| 2894 | C | 89.2 | Confident | 89 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -17.5 | 178 | 73.5 | 0 | 0 | 0 | 0 | 113.2 | K2659 Y2663 V2890 D2891 R2892 M2896 | K2659-C2894 HydrophobicContact CB-CB 4.28Å; Y2663-C2894 HydrophobicContact CD1-CB 4.39Å; Y2663-C2894 HydrophobicContact CD2-CB 4.23Å; Y2663-C2894 HydrophobicContact CG-CB 3.83Å; V2890-C2894 WeakPolarHBondContact O-CB 3.39Å; V2890-C2894 PolarHBondContact O-N 3.31Å; V2890-C2894 PolarHBondContact O-SG 2.74Å; V2890-C2894 VanDerWaalsContact O-SG 3.37Å; D2891-C2894 PolarHBondContact O-SG 2.85Å; R2892-C2894 PolarHBondContact O-N 3.47Å; C2894-M2896 VanDerWaalsContact C-N 3.32Å |
| 2895 | Q | 90.6 | Very high | 88.8 | Confident | 49 Ų | 49 | 31.8 Ų | 31.8 | 23% | 0.229 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.3 | 173.8 | -69.7 | 177.7 | 72.6 | 0 | 0 | 113 | L2656 K2659 W2746 R2749 D2891 R2892 L2893 | L2656-Q2895 HydrophobicContact CD1-CG 3.7Å; K2659-Q2895 HydrophobicContact CD-CG 4.27Å; W2746-Q2895 PolarHBondContact NE1-O 3.34Å; R2749-Q2895 HydrophobicContact CG-CB 4.25Å; D2891-Q2895 WeakPolarHBondContact O-CG 3.42Å; D2891-Q2895 PolarHBondContact O-NE2 3.33Å; R2892-Q2895 WeakPolarHBondContact O-CB 3.42Å; R2892-Q2895 PolarHBondContact O-N 3.42Å; R2892-Q2895 VanDerWaalsContact O-N 3.16Å; L2893-Q2895 PolarHBondContact O-N 3.46Å |
| 2896 | M | 91.1 | Very high | 88.8 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -82.1 | 150.9 | 179.5 | -59.8 | -61.6 | -72.5 | 0 | 0 | 112 | E2748 R2749 V2750 L2893 C2894 W2900 P2902 | E2748-M2896 HydrophobicContact CB-CE 3.76Å; E2748-M2896 HydrophobicContact CB-SD 4.49Å; E2748-M2896 HydrophobicContact CG-CE 3.76Å; R2749-M2896 HydrophobicContact CB-SD 4.4Å; R2749-M2896 PolarHBondContact N-SD 3.46Å; V2750-M2896 HydrophobicContact CG1-SD 4.4Å; V2750-M2896 HydrophobicContact CG2-CE 3.74Å; V2750-M2896 HydrophobicContact CG2-SD 3.98Å; L2893-M2896 WeakPolarHBondContact O-CB 3.46Å; L2893-M2896 WeakPolarHBondContact O-CG 3.31Å; L2893-M2896 PolarHBondContact O-N 3.37Å; L2893-M2896 VanDerWaalsContact O-N 3.1Å; C2894-M2896 VanDerWaalsContact C-N 3.32Å; M2896-W2900 HydrophobicContact CB-CD2 4.31Å; M2896-W2900 HydrophobicContact CB-CE3 3.96Å; M2896-W2900 HydrophobicContact CE-CD2 3.57Å; M2896-W2900 VanDerWaalsContact CE-CE2 3.43Å; M2896-W2900 HydrophobicContact CE-CE3 4.12Å; M2896-W2900 HydrophobicContact CE-CG 3.79Å; M2896-W2900 HydrophobicContact CE-CH2 4.36Å; M2896-W2900 HydrophobicContact CE-CZ2 3.86Å; M2896-W2900 HydrophobicContact CE-CZ3 4.48Å; M2896-W2900 HydrophobicContact CG-CD2 4.47Å; M2896-W2900 HydrophobicContact CG-CE3 4.12Å; M2896-W2900 HydrophobicContact CG-CZ3 4.24Å; M2896-P2902 HydrophobicContact CB-CB 3.96Å; M2896-P2902 HydrophobicContact CB-CG 4.03Å; M2896-P2902 HydrophobicContact CG-CB 4.43Å |
| 2897 | Y | 90.1 | Very high | 88.7 | Confident | 113 Ų | 113 | 28.2 Ų | 28.2 | 44% | 0.443 | 14% | 0.143 | S | C | . | . | trans | -62.1 | 142.9 | 178.9 | 178.3 | -124.3 | 0 | 0 | 0 | 111.6 | W2746 G2899 W2900 | W2746-Y2897 AromaticContact CD2-CD2 3.99Å; W2746-Y2897 HydrophobicContact CD2-CD2 3.99Å; W2746-Y2897 HydrophobicContact CD2-CG 4.47Å; W2746-Y2897 AromaticContact CE3-CD2 3.84Å; W2746-Y2897 HydrophobicContact CE3-CD2 3.84Å; W2746-Y2897 HydrophobicContact CG-CD2 4.3Å; W2746-Y2897 HydrophobicContact CG-CG 4.37Å; W2746-Y2897 HydrophobicContact CZ3-CD2 4.36Å; Y2897-G2899 PolarHBondContact O-N 3.02Å; Y2897-G2899 VanDerWaalsContact O-N 3.1Å; Y2897-W2900 WeakPolarHBondContact O-CA 3.37Å; Y2897-W2900 WeakPolarHBondContact O-CB 3.48Å; Y2897-W2900 PolarHBondContact O-N 3Å | ||
| 2898 | K | 88.4 | Confident | 88.6 | Confident | 75 Ų | 75 | 29.9 Ų | 29.9 | 33% | 0.326 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -54.7 | -32.1 | 177.9 | 65.9 | -177.7 | 178 | -178.1 | 0 | 114 | A2649 W2667 W2900 M2901 | A2649-K2898 HydrophobicContact CB-CD 4.33Å; W2667-K2898 HydrophobicContact CH2-CB 3.76Å; W2667-K2898 HydrophobicContact CZ2-CB 3.91Å; K2898-W2900 VanDerWaalsContact C-N 3.3Å; K2898-M2901 PolarHBondContact O-N 3.01Å |
| 2899 | G | 85.8 | Confident | 88.5 | Confident | 29 Ų | 29 | 29.5 Ų | 29.5 | 30% | 0.299 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -72.7 | -20 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y2897 M2901 | Y2897-G2899 PolarHBondContact O-N 3.02Å; Y2897-G2899 VanDerWaalsContact O-N 3.1Å; G2899-M2901 PolarHBondContact O-N 3.3Å |
| 2900 | W | 90.3 | Very high | 88.5 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -72.7 | -20.5 | 170.6 | -166.3 | 91.4 | 0 | 0 | 0 | 112.1 | R2715 E2748 V2750 R2753 T2755 L2893 M2896 Y2897 K2898 P2902 | R2715-W2900 PolarHBondContact O-NE1 3.21Å; E2748-W2900 VanDerWaalsContact OE1-CD1 3.22Å; V2750-W2900 HydrophobicContact CG2-CH2 3.85Å; V2750-W2900 HydrophobicContact CG2-CZ2 3.71Å; R2753-W2900 HydrophobicContact CB-CH2 4.04Å; R2753-W2900 HydrophobicContact CB-CZ2 3.58Å; R2753-W2900 HydrophobicContact CG-CH2 3.58Å; R2753-W2900 HydrophobicContact CG-CZ2 3.48Å; R2753-W2900 VanDerWaalsContact CG-CZ2 3.48Å; R2753-W2900 HydrophobicContact CG-CZ3 4.41Å; T2755-W2900 HydrophobicContact CG2-CH2 3.83Å; T2755-W2900 HydrophobicContact CG2-CZ3 3.65Å; L2893-W2900 HydrophobicContact CD2-CH2 4Å; L2893-W2900 HydrophobicContact CD2-CZ3 3.83Å; M2896-W2900 HydrophobicContact CB-CD2 4.31Å; M2896-W2900 HydrophobicContact CB-CE3 3.96Å; M2896-W2900 HydrophobicContact CE-CD2 3.57Å; M2896-W2900 VanDerWaalsContact CE-CE2 3.43Å; M2896-W2900 HydrophobicContact CE-CE3 4.12Å; M2896-W2900 HydrophobicContact CE-CG 3.79Å; M2896-W2900 HydrophobicContact CE-CH2 4.36Å; M2896-W2900 HydrophobicContact CE-CZ2 3.86Å; M2896-W2900 HydrophobicContact CE-CZ3 4.48Å; M2896-W2900 HydrophobicContact CG-CD2 4.47Å; M2896-W2900 HydrophobicContact CG-CE3 4.12Å; M2896-W2900 HydrophobicContact CG-CZ3 4.24Å; Y2897-W2900 WeakPolarHBondContact O-CA 3.37Å; Y2897-W2900 WeakPolarHBondContact O-CB 3.48Å; Y2897-W2900 PolarHBondContact O-N 3Å; K2898-W2900 VanDerWaalsContact C-N 3.3Å; W2900-P2902 VanDerWaalsContact CE3-CA 3.5Å; W2900-P2902 HydrophobicContact CE3-CB 3.64Å; W2900-P2902 HydrophobicContact CE3-CG 4.43Å; W2900-P2902 HydrophobicContact CZ3-CB 3.68Å |
| 2901 | M | 89.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | 56.4 | 64.4 | 179.9 | -53.6 | -177.5 | 75 | 0 | 0 | 113 | R2626 I2640 W2642 T2717 R2753 K2898 G2899 F2903 L2904 | R2626-M2901 HydrophobicContact CG-SD 4.47Å; R2626-M2901 PolarHBondContact NH1-SD 3.46Å; I2640-M2901 HydrophobicContact CD1-CE 4.27Å; W2642-M2901 HydrophobicContact CH2-CE 3.43Å; W2642-M2901 VanDerWaalsContact CH2-CE 3.43Å; W2642-M2901 HydrophobicContact CH2-SD 3.96Å; W2642-M2901 HydrophobicContact CZ3-CE 3.78Å; W2642-M2901 HydrophobicContact CZ3-SD 4.27Å; T2717-M2901 HydrophobicContact CG2-CB 4.03Å; T2717-M2901 HydrophobicContact CG2-CG 4.38Å; T2717-M2901 HydrophobicContact CG2-SD 4.13Å; R2753-M2901 PolarHBondContact NH2-O 2.98Å; R2753-M2901 VanDerWaalsContact NH2-O 3.08Å; K2898-M2901 PolarHBondContact O-N 3.01Å; G2899-M2901 PolarHBondContact O-N 3.3Å; M2901-F2903 HydrophobicContact CB-CE1 4.08Å; M2901-F2903 HydrophobicContact CB-CE2 4.37Å; M2901-F2903 HydrophobicContact CB-CZ 3.88Å; M2901-F2903 HydrophobicContact CE-CE2 3.77Å; M2901-F2903 HydrophobicContact CE-CZ 3.54Å; M2901-F2903 HydrophobicContact CG-CE1 4.4Å; M2901-F2903 HydrophobicContact CG-CZ 4.04Å; M2901-F2903 PolarHBondContact O-N 3.24Å; M2901-L2904 HydrophobicContact CB-CB 4.4Å; M2901-L2904 HydrophobicContact CB-CD1 3.91Å; M2901-L2904 HydrophobicContact CB-CG 3.98Å; M2901-L2904 HydrophobicContact CE-CD1 3.37Å; M2901-L2904 HydrophobicContact CE-CD2 4.48Å; M2901-L2904 HydrophobicContact CE-CG 3.88Å; M2901-L2904 HydrophobicContact CG-CD1 4.45Å; M2901-L2904 PolarHBondContact O-N 3.46Å; M2901-L2904 HydrophobicContact SD-CD1 3.76Å | ||
| 2902 | P | 88.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12 | -176.7 | 29.1 | -36.5 | 0 | 0 | 0 | 115.1 | Y2663 W2667 L2893 M2896 W2900 | Y2663-P2902 HydrophobicContact CE2-CB 4.08Å; Y2663-P2902 HydrophobicContact CE2-CG 4.19Å; Y2663-P2902 PolarHBondContact OH-O 3.15Å; W2667-P2902 HydrophobicContact CE3-CG 4.38Å; W2667-P2902 HydrophobicContact CZ3-CG 3.73Å; L2893-P2902 HydrophobicContact CD2-CB 4.36Å; L2893-P2902 WeakPolarHBondContact O-CB 3.45Å; M2896-P2902 HydrophobicContact CB-CB 3.96Å; M2896-P2902 HydrophobicContact CB-CG 4.03Å; M2896-P2902 HydrophobicContact CG-CB 4.43Å; W2900-P2902 VanDerWaalsContact CE3-CA 3.5Å; W2900-P2902 HydrophobicContact CE3-CB 3.64Å; W2900-P2902 HydrophobicContact CE3-CG 4.43Å; W2900-P2902 HydrophobicContact CZ3-CB 3.68Å |
| 2903 | F | 82.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -18.1 | 176 | 54.2 | -96.6 | 0 | 0 | 0 | 113.1 | M2645 Y2663 W2667 L2668 F2671 M2901 | M2645-F2903 HydrophobicContact CG-CE1 4.37Å; M2645-F2903 HydrophobicContact CG-CZ 4.46Å; M2645-F2903 HydrophobicContact SD-CE1 3.66Å; M2645-F2903 HydrophobicContact SD-CZ 3.46Å; M2645-F2903 WeakPolarHBondContact SD-CZ 3.33Å; Y2663-F2903 HydrophobicContact CE2-CB 4.47Å; W2667-F2903 HydrophobicContact CB-CB 4.46Å; W2667-F2903 HydrophobicContact CD2-CD1 4Å; W2667-F2903 AromaticContact CE3-CD1 3.78Å; W2667-F2903 HydrophobicContact CE3-CD1 3.78Å; W2667-F2903 HydrophobicContact CZ3-CD1 4.15Å; L2668-F2903 HydrophobicContact CD2-CB 4.37Å; F2671-F2903 HydrophobicContact CB-CD2 3.98Å; F2671-F2903 HydrophobicContact CD1-CD2 4.14Å; F2671-F2903 AromaticContact CD1-CE2 3.98Å; F2671-F2903 HydrophobicContact CD1-CE2 3.98Å; F2671-F2903 HydrophobicContact CD2-CB 4.16Å; F2671-F2903 HydrophobicContact CD2-CD1 4.44Å; F2671-F2903 AromaticContact CD2-CD2 3.21Å; F2671-F2903 HydrophobicContact CD2-CD2 3.21Å; F2671-F2903 AromaticContact CD2-CE2 3.61Å; F2671-F2903 HydrophobicContact CD2-CE2 3.61Å; F2671-F2903 AromaticContact CD2-CG 3.68Å; F2671-F2903 HydrophobicContact CD2-CG 3.68Å; F2671-F2903 HydrophobicContact CD2-CZ 4.37Å; F2671-F2903 HydrophobicContact CE1-CD2 4.47Å; F2671-F2903 AromaticContact CE1-CE2 3.96Å; F2671-F2903 HydrophobicContact CE1-CE2 3.96Å; F2671-F2903 HydrophobicContact CE2-CD1 4.34Å; F2671-F2903 AromaticContact CE2-CD2 3.62Å; F2671-F2903 HydrophobicContact CE2-CD2 3.62Å; F2671-F2903 HydrophobicContact CE2-CE1 4.31Å; F2671-F2903 AromaticContact CE2-CE2 3.57Å; F2671-F2903 HydrophobicContact CE2-CE2 3.57Å; F2671-F2903 HydrophobicContact CE2-CG 4.01Å; F2671-F2903 AromaticContact CE2-CZ 3.94Å; F2671-F2903 HydrophobicContact CE2-CZ 3.94Å; F2671-F2903 AromaticContact CG-CD2 3.51Å; F2671-F2903 HydrophobicContact CG-CD2 3.51Å; F2671-F2903 AromaticContact CG-CE2 3.82Å; F2671-F2903 HydrophobicContact CG-CE2 3.82Å; F2671-F2903 HydrophobicContact CG-CG 4.37Å; F2671-F2903 HydrophobicContact CZ-CD2 4.25Å; F2671-F2903 AromaticContact CZ-CE2 3.76Å; F2671-F2903 HydrophobicContact CZ-CE2 3.76Å; F2671-F2903 HydrophobicContact CZ-CZ 4.07Å; M2901-F2903 HydrophobicContact CB-CE1 4.08Å; M2901-F2903 HydrophobicContact CB-CE2 4.37Å; M2901-F2903 HydrophobicContact CB-CZ 3.88Å; M2901-F2903 HydrophobicContact CE-CE2 3.77Å; M2901-F2903 HydrophobicContact CE-CZ 3.54Å; M2901-F2903 HydrophobicContact CG-CE1 4.4Å; M2901-F2903 HydrophobicContact CG-CZ 4.04Å; M2901-F2903 PolarHBondContact O-N 3.24Å |
| 2904 | L | 82.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -81.5 | 0 | 172.8 | -67.6 | -171.2 | 0 | 0 | 0 | 108.3 | F2625 I2629 Y2633 T2717 R2753 T2755 N2757 M2901 | F2625-L2904 HydrophobicContact CE1-CB 4.23Å; F2625-L2904 HydrophobicContact CE1-CD1 4.41Å; I2629-L2904 HydrophobicContact CB-CD1 4.33Å; I2629-L2904 HydrophobicContact CG1-CD1 4.36Å; I2629-L2904 HydrophobicContact CG2-CD1 3.83Å; I2629-L2904 HydrophobicContact CG2-CD2 3.63Å; I2629-L2904 HydrophobicContact CG2-CG 4.35Å; Y2633-L2904 HydrophobicContact CE2-CD2 3.75Å; T2717-L2904 HydrophobicContact CG2-CD1 4.14Å; R2753-L2904 PolarHBondContact NH2-OXT 2.93Å; T2755-L2904 VanDerWaalsContact CB-C 3.45Å; T2755-L2904 WeakPolarHBondContact CB-O 3.49Å; T2755-L2904 WeakPolarHBondContact CB-OXT 3.35Å; T2755-L2904 VanDerWaalsContact CG2-OXT 3.28Å; T2755-L2904 WeakPolarHBondContact CG2-OXT 3.14Å; T2755-L2904 PolarHBondContact OG1-O 2.84Å; T2755-L2904 PolarHBondContact OG1-OXT 2.98Å; N2757-L2904 WeakPolarHBondContact CA-O 3.44Å; N2757-L2904 WeakPolarHBondContact CB-O 3.27Å; N2757-L2904 PolarHBondContact N-O 3.24Å; N2757-L2904 WeakPolarHBondContact ND2-CA 3.23Å; N2757-L2904 PolarHBondContact ND2-O 3.33Å; M2901-L2904 HydrophobicContact CB-CB 4.4Å; M2901-L2904 HydrophobicContact CB-CD1 3.91Å; M2901-L2904 HydrophobicContact CB-CG 3.98Å; M2901-L2904 HydrophobicContact CE-CD1 3.37Å; M2901-L2904 HydrophobicContact CE-CD2 4.48Å; M2901-L2904 HydrophobicContact CE-CG 3.88Å; M2901-L2904 HydrophobicContact CG-CD1 4.45Å; M2901-L2904 PolarHBondContact O-N 3.46Å; M2901-L2904 HydrophobicContact SD-CD1 3.76Å |
Retrieved 2,904 of 2,904 residues in 3507.1 ms
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