| 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 | 33.7 | Very low | 48.5 | Very low | 208 Ų | 208 | 109.5 Ų | 109.5 | 100% | 1.025 | 53% | 0.533 | S | S | * | . | 0 | 120.3 | 0 | -160.8 | 159.3 | 173.9 | 0 | 0 | 107.4 | |||||
| 2 | N | 36.3 | Very low | 49.6 | Very low | 97 Ų | 97 | 104.4 Ų | 104.4 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | trans | -76.3 | 123.8 | -172.1 | -162.8 | 5.3 | 0 | 0 | 0 | 109.7 | Y4 F5 | N2-Y4 PolarHBondContact O-N 3.28Å; N2-Y4 WeakPolarHBondContact OD1-CD2 3.44Å; N2-F5 HydrophobicContact CB-CD2 4.17Å; N2-F5 PolarHBondContact O-N 3.04Å | ||
| 3 | K | 47.6 | Very low | 50.8 | Low | 177 Ų | 177 | 104.1 Ų | 104.1 | 77% | 0.77 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -60.2 | -21.3 | -168.6 | -70.1 | -176.1 | 176.5 | -178.2 | 0 | 114 | F5 Q6 | K3-F5 VanDerWaalsContact C-N 3.31Å; K3-F5 PolarHBondContact O-N 3.19Å; K3-Q6 PolarHBondContact O-N 3.35Å |
| 4 | Y | 46.1 | Very low | 52.3 | Low | 157 Ų | 157 | 99.8 Ų | 99.8 | 62% | 0.616 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -70.9 | -19.9 | -179 | -59.9 | -78.8 | 0 | 0 | 0 | 114.5 | N2 | N2-Y4 PolarHBondContact O-N 3.28Å; N2-Y4 WeakPolarHBondContact OD1-CD2 3.44Å |
| 5 | F | 42 | Very low | 53.7 | Low | 144 Ų | 144 | 100.7 Ų | 100.7 | 63% | 0.632 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -88.7 | -5.5 | 179 | -72.9 | -76.3 | 0 | 0 | 0 | 114.1 | N2 K3 L16 | N2-F5 HydrophobicContact CB-CD2 4.17Å; N2-F5 PolarHBondContact O-N 3.04Å; K3-F5 VanDerWaalsContact C-N 3.31Å; K3-F5 PolarHBondContact O-N 3.19Å; F5-L16 HydrophobicContact CZ-CD2 4.4Å |
| 6 | Q | 47.8 | Very low | 55.5 | Low | 136 Ų | 136 | 99.6 Ų | 99.6 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -91.5 | -2.1 | -179.4 | -110.8 | 173.4 | -11.9 | 0 | 0 | 113.6 | K3 | K3-Q6 PolarHBondContact O-N 3.35Š|
| 7 | A | 46.5 | Very low | 57.3 | Low | 28 Ų | 28 | 94.7 Ų | 94.7 | 23% | 0.231 | 46% | 0.46 | C | S | . | . | trans | -84.9 | 114.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | D9 L12 | A7-D9 HydrophobicContact CB-CB 4.47Å; A7-D9 PolarHBondContact O-N 3.2Å; A7-L12 HydrophobicContact CB-CD2 3.54Å | ||
| 8 | D | 56.8 | Low | 58.9 | Low | 145 Ų | 145 | 92.7 Ų | 92.7 | 78% | 0.775 | 46% | 0.457 | S | S | * | . | trans | -64.7 | 14.1 | 171.6 | -71.7 | -38.7 | 0 | 0 | 0 | 113.2 | P10 | D8-P10 WeakPolarHBondContact O-CD 3.48Š| ||
| 9 | D | 58 | Low | 60.6 | Low | 34 Ų | 34 | 91.8 Ų | 91.8 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | trans | -79.7 | 107.2 | -178.8 | -173.8 | -10.2 | 0 | 0 | 0 | 109.9 | A7 N11 L12 R13 Q122 | A7-D9 HydrophobicContact CB-CB 4.47Å; A7-D9 PolarHBondContact O-N 3.2Å; D9-N11 PolarHBondContact O-N 3.26Å; D9-N11 WeakPolarHBondContact OD1-CA 3.43Å; D9-N11 VanDerWaalsContact OD1-CB 3.22Å; D9-N11 WeakPolarHBondContact OD1-CB 3.47Å; D9-N11 PolarHBondContact OD1-N 3.37Å; D9-L12 HydrophobicContact CB-CB 3.91Å; D9-L12 PolarHBondContact O-N 3.09Å; D9-L12 VanDerWaalsContact O-N 3.17Å; D9-R13 PolarHBondContact O-N 3.24Å; D9-Q122 WeakPolarHBondContact OD2-CG 3.37Å; D9-Q122 PolarHBondContact OD2-NE2 3.12Å | ||
| 10 | P | 58.7 | Low | 62.2 | Low | 46 Ų | 46 | 91.5 Ų | 91.5 | 30% | 0.299 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -48 | -40.2 | 172 | 11.1 | -24.3 | 0 | 0 | 0 | 113.3 | D8 L12 R13 Q14 M80 | D8-P10 WeakPolarHBondContact O-CD 3.48Å; P10-L12 PolarHBondContact O-N 3.36Å; P10-R13 PolarHBondContact O-N 3.42Å; P10-Q14 PolarHBondContact O-N 3.31Å; P10-M80 HydrophobicContact CB-CE 3.19Å; P10-M80 HydrophobicContact CB-SD 3.15Å; P10-M80 WeakPolarHBondContact CB-SD 3.48Å; P10-M80 HydrophobicContact CG-CE 4.5Å; P10-M80 HydrophobicContact CG-SD 4.27Å; P10-M80 VanDerWaalsContact O-CE 3.23Å; P10-M80 WeakPolarHBondContact O-CE 3.43Å |
| 11 | N | 60.1 | Low | 63.6 | Low | 33 Ų | 33 | 87.6 Ų | 87.6 | 18% | 0.176 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.8 | -38.2 | -175.7 | -54.4 | -11.6 | 0 | 0 | 0 | 110.8 | D9 R13 Q14 N15 V82 | D9-N11 PolarHBondContact O-N 3.26Å; D9-N11 WeakPolarHBondContact OD1-CA 3.43Å; D9-N11 VanDerWaalsContact OD1-CB 3.22Å; D9-N11 WeakPolarHBondContact OD1-CB 3.47Å; D9-N11 PolarHBondContact OD1-N 3.37Å; N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 2.86Å; N11-Q14 PolarHBondContact O-N 3.42Å; N11-N15 WeakPolarHBondContact O-CB 3.32Å; N11-N15 PolarHBondContact O-N 2.89Å; N11-N15 PolarHBondContact O-ND2 3.29Å; N11-N15 VanDerWaalsContact O-ND2 3.07Å; N11-V82 HydrophobicContact CB-CG2 4.47Å; N11-V82 VanDerWaalsContact CG-CG1 3.47Å; N11-V82 VanDerWaalsContact ND2-CG1 3.25Å; N11-V82 WeakPolarHBondContact ND2-CG1 3.43Å; N11-V82 WeakPolarHBondContact OD1-CG1 3.41Å; N11-V82 WeakPolarHBondContact OD1-CG2 3.46Å |
| 12 | L | 61.2 | Low | 66.4 | Low | 48 Ų | 48 | 81.1 Ų | 81.1 | 25% | 0.251 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 176.7 | -167.3 | 70.3 | 0 | 0 | 0 | 111.1 | A7 D9 P10 L16 | A7-L12 HydrophobicContact CB-CD2 3.54Å; D9-L12 HydrophobicContact CB-CB 3.91Å; D9-L12 PolarHBondContact O-N 3.09Å; D9-L12 VanDerWaalsContact O-N 3.17Å; P10-L12 PolarHBondContact O-N 3.36Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 PolarHBondContact O-N 3.44Å |
| 13 | R | 65.2 | Low | 69.2 | Low | 100 Ų | 100 | 81.9 Ų | 81.9 | 38% | 0.377 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 176.5 | -67 | -176 | -74.4 | 160.8 | -5.1 | 111.1 | D9 P10 N11 L16 L17 I77 | D9-R13 PolarHBondContact O-N 3.24Å; P10-R13 PolarHBondContact O-N 3.42Å; N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 2.86Å; R13-L16 PolarHBondContact O-N 2.83Å; R13-L17 VanDerWaalsContact O-CB 3.25Å; R13-L17 WeakPolarHBondContact O-CB 3.39Å; R13-L17 WeakPolarHBondContact O-CD1 3.45Å; R13-L17 WeakPolarHBondContact O-CG 3.33Å; R13-L17 PolarHBondContact O-N 3.07Å; R13-I77 HydrophobicContact CB-CD1 4.3Å; R13-I77 HydrophobicContact CB-CG2 3.83Å |
| 14 | Q | 72 | Confident | 71.5 | Confident | 44 Ų | 44 | 73.8 Ų | 73.8 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 176 | -167.6 | -179.4 | 33.4 | 0 | 0 | 111.8 | P10 N11 L16 L17 S18 I77 L78 M80 | P10-Q14 PolarHBondContact O-N 3.31Å; N11-Q14 PolarHBondContact O-N 3.42Å; Q14-L16 VanDerWaalsContact C-N 3.29Å; Q14-L16 PolarHBondContact O-N 2.61Å; Q14-L17 PolarHBondContact O-N 3.14Å; Q14-S18 WeakPolarHBondContact O-CB 3.42Å; Q14-S18 PolarHBondContact O-N 3.05Å; Q14-I77 HydrophobicContact CB-CG2 4.13Å; Q14-L78 PolarHBondContact NE2-O 2.88Å; Q14-M80 HydrophobicContact CB-CE 4.2Å; Q14-M80 PolarHBondContact NE2-O 3.06Å |
| 15 | N | 73.9 | Confident | 73.8 | Confident | 113 Ų | 113 | 68.7 Ų | 68.7 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.9 | -22.5 | 179.8 | -74.4 | -29 | 0 | 0 | 0 | 114 | N11 P19 | N11-N15 WeakPolarHBondContact O-CB 3.32Å; N11-N15 PolarHBondContact O-N 2.89Å; N11-N15 PolarHBondContact O-ND2 3.29Å; N11-N15 VanDerWaalsContact O-ND2 3.07Å; N15-P19 WeakPolarHBondContact O-CD 3.14Å; N15-P19 WeakPolarHBondContact O-CG 3.23Å |
| 16 | L | 81.5 | Confident | 76.4 | Confident | 83 Ų | 83 | 66.8 Ų | 66.8 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -89.4 | -42.4 | 173.6 | -175.4 | 63.8 | 0 | 0 | 0 | 111.8 | F5 L12 R13 Q14 F20 | F5-L16 HydrophobicContact CZ-CD2 4.4Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 PolarHBondContact O-N 3.44Å; R13-L16 PolarHBondContact O-N 2.83Å; Q14-L16 VanDerWaalsContact C-N 3.29Å; Q14-L16 PolarHBondContact O-N 2.61Å; L16-F20 WeakPolarHBondContact O-CB 3.45Å; L16-F20 PolarHBondContact O-N 3.23Å |
| 17 | L | 86.3 | Confident | 78.6 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69 | -44.2 | -176.1 | -72.1 | 169.5 | 0 | 0 | 0 | 111.7 | R13 Q14 F20 M21 F74 I77 L78 | R13-L17 VanDerWaalsContact O-CB 3.25Å; R13-L17 WeakPolarHBondContact O-CB 3.39Å; R13-L17 WeakPolarHBondContact O-CD1 3.45Å; R13-L17 WeakPolarHBondContact O-CG 3.33Å; R13-L17 PolarHBondContact O-N 3.07Å; Q14-L17 PolarHBondContact O-N 3.14Å; L17-F20 PolarHBondContact O-N 2.96Å; L17-M21 WeakPolarHBondContact O-CB 3.11Å; L17-M21 WeakPolarHBondContact O-CG 3.33Å; L17-M21 PolarHBondContact O-N 2.87Å; L17-F74 HydrophobicContact CD1-CB 3.97Å; L17-F74 HydrophobicContact CD1-CD1 3.95Å; L17-F74 HydrophobicContact CD1-CG 3.9Å; L17-F74 HydrophobicContact CD2-CD2 4.07Å; L17-F74 HydrophobicContact CD2-CE2 4.21Å; L17-F74 HydrophobicContact CD2-CG 4.25Å; L17-F74 HydrophobicContact CD2-CZ 4.49Å; L17-I77 HydrophobicContact CD1-CB 4.19Å; L17-I77 HydrophobicContact CD1-CD1 4.06Å; L17-I77 HydrophobicContact CD1-CG2 3.76Å; L17-L78 HydrophobicContact CB-CD2 4.34Å |
| 18 | S | 87 | Confident | 80.9 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60 | -51 | -178 | 174.6 | 0 | 0 | 0 | 0 | 112.6 | Q14 F20 M21 S22 | Q14-S18 WeakPolarHBondContact O-CB 3.42Å; Q14-S18 PolarHBondContact O-N 3.05Å; S18-F20 VanDerWaalsContact C-N 3.34Å; S18-F20 PolarHBondContact O-N 2.94Å; S18-M21 WeakPolarHBondContact O-CB 3.43Å; S18-M21 PolarHBondContact O-N 3.49Å; S18-S22 PolarHBondContact O-N 3.21Å; S18-S22 PolarHBondContact O-OG 3.14Å |
| 19 | P | 90.7 | Very high | 82.8 | Confident | 76 Ų | 76 | 64.2 Ų | 64.2 | 49% | 0.494 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62 | -38 | 175 | -25.7 | 36.4 | 0 | 0 | 0 | 113.7 | N15 M21 S22 K23 | N15-P19 WeakPolarHBondContact O-CD 3.14Å; N15-P19 WeakPolarHBondContact O-CG 3.23Å; P19-M21 VanDerWaalsContact C-N 3.33Å; P19-M21 PolarHBondContact O-N 3.43Å; P19-S22 PolarHBondContact O-N 3.18Å; P19-K23 WeakPolarHBondContact O-CB 3.11Å; P19-K23 PolarHBondContact O-N 3.3Å |
| 20 | F | 91.9 | Very high | 84.4 | Confident | 84 Ų | 84 | 63.2 Ų | 63.2 | 37% | 0.368 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 175.2 | 175.3 | -98.3 | 0 | 0 | 0 | 111.1 | L16 L17 S18 K23 L24 F70 | L16-F20 WeakPolarHBondContact O-CB 3.45Å; L16-F20 PolarHBondContact O-N 3.23Å; L17-F20 PolarHBondContact O-N 2.96Å; S18-F20 VanDerWaalsContact C-N 3.34Å; S18-F20 PolarHBondContact O-N 2.94Å; F20-K23 WeakPolarHBondContact O-CA 3.01Å; F20-K23 VanDerWaalsContact O-CB 3.25Å; F20-K23 WeakPolarHBondContact O-CB 3.38Å; F20-K23 PolarHBondContact O-N 3.27Å; F20-K23 VanDerWaalsContact O-N 3.11Å; F20-L24 HydrophobicContact CE1-CD1 3.93Å; F20-L24 HydrophobicContact CE1-CD2 4.4Å; F20-L24 HydrophobicContact CE1-CG 4.22Å; F20-L24 HydrophobicContact CZ-CD1 4.45Å; F20-L24 HydrophobicContact CZ-CD2 4.12Å; F20-L24 HydrophobicContact CZ-CG 4.42Å; F20-L24 PolarHBondContact O-N 3.44Å; F20-L24 VanDerWaalsContact O-N 3.12Å; F20-F70 HydrophobicContact CD1-CD1 4.11Å; F20-F70 HydrophobicContact CD1-CE1 4.05Å; F20-F70 AromaticContact CE1-CD1 3.77Å; F20-F70 HydrophobicContact CE1-CD1 3.77Å; F20-F70 AromaticContact CE1-CE1 3.47Å; F20-F70 HydrophobicContact CE1-CE1 3.47Å; F20-F70 VanDerWaalsContact CE1-CE1 3.47Å; F20-F70 HydrophobicContact CE1-CE2 4.5Å; F20-F70 HydrophobicContact CE1-CG 4.41Å; F20-F70 AromaticContact CE1-CZ 3.87Å; F20-F70 HydrophobicContact CE1-CZ 3.87Å; F20-F70 HydrophobicContact CZ-CE1 4.31Å; F20-F70 HydrophobicContact CZ-CZ 4.37Å |
| 21 | M | 92.3 | Very high | 85.9 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 177.1 | -72.7 | -59.3 | -75.3 | 0 | 0 | 112.6 | L17 S18 P19 K23 L24 L25 H67 F70 T71 | L17-M21 WeakPolarHBondContact O-CB 3.11Å; L17-M21 WeakPolarHBondContact O-CG 3.33Å; L17-M21 PolarHBondContact O-N 2.87Å; S18-M21 WeakPolarHBondContact O-CB 3.43Å; S18-M21 PolarHBondContact O-N 3.49Å; P19-M21 VanDerWaalsContact C-N 3.33Å; P19-M21 PolarHBondContact O-N 3.43Å; M21-K23 PolarHBondContact O-N 3.05Å; M21-L24 WeakPolarHBondContact O-CB 3.49Å; M21-L24 PolarHBondContact O-N 2.83Å; M21-L24 VanDerWaalsContact O-N 3.16Å; M21-L24 HydrophobicContact SD-CD1 3.99Å; M21-L25 PolarHBondContact O-N 3.18Å; M21-H67 HydrophobicContact CE-CB 4.3Å; M21-H67 VanDerWaalsContact CE-CD2 3.41Å; M21-H67 WeakPolarHBondContact CE-CD2 3.44Å; M21-H67 WeakPolarHBondContact CE-O 3.5Å; M21-F70 HydrophobicContact CE-CB 3.71Å; M21-F70 HydrophobicContact SD-CB 3.21Å; M21-F70 WeakPolarHBondContact SD-CB 3.5Å; M21-F70 HydrophobicContact SD-CD1 4.15Å; M21-F70 HydrophobicContact SD-CG 3.95Å; M21-T71 WeakPolarHBondContact CE-OG1 3.42Å |
| 22 | S | 93.8 | Very high | 87.5 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 51% | 0.51 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.5 | -36.7 | 172.3 | -60 | 0 | 0 | 0 | 0 | 111.8 | S18 P19 L24 L25 F26 | S18-S22 PolarHBondContact O-N 3.21Å; S18-S22 PolarHBondContact O-OG 3.14Å; P19-S22 PolarHBondContact O-N 3.18Å; S22-L24 PolarHBondContact O-N 2.89Å; S22-L25 PolarHBondContact O-N 3.03Å; S22-F26 WeakPolarHBondContact O-CB 3.43Å; S22-F26 PolarHBondContact O-N 2.98Å |
| 23 | K | 94.2 | Very high | 88.9 | Confident | 112 Ų | 112 | 68.9 Ų | 68.9 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.7 | -36 | 177.6 | -155.1 | 177.5 | -166.1 | -177.9 | 0 | 112.5 | P19 F20 M21 F26 F27 | P19-K23 WeakPolarHBondContact O-CB 3.11Å; P19-K23 PolarHBondContact O-N 3.3Å; F20-K23 WeakPolarHBondContact O-CA 3.01Å; F20-K23 VanDerWaalsContact O-CB 3.25Å; F20-K23 WeakPolarHBondContact O-CB 3.38Å; F20-K23 PolarHBondContact O-N 3.27Å; F20-K23 VanDerWaalsContact O-N 3.11Å; M21-K23 PolarHBondContact O-N 3.05Å; K23-F26 WeakPolarHBondContact O-CB 3.46Å; K23-F26 PolarHBondContact O-N 3.3Å; K23-F27 HydrophobicContact CD-CE1 4.25Å; K23-F27 HydrophobicContact CD-CE2 4.04Å; K23-F27 HydrophobicContact CD-CZ 3.68Å; K23-F27 HydrophobicContact CG-CD1 4.27Å; K23-F27 HydrophobicContact CG-CD2 4.31Å; K23-F27 HydrophobicContact CG-CE1 3.83Å; K23-F27 HydrophobicContact CG-CE2 3.84Å; K23-F27 HydrophobicContact CG-CZ 3.62Å; K23-F27 WeakPolarHBondContact O-CB 3.48Å; K23-F27 WeakPolarHBondContact O-CD2 3.47Å; K23-F27 WeakPolarHBondContact O-CG 3.39Å; K23-F27 PolarHBondContact O-N 2.97Å |
| 24 | L | 95.1 | Very high | 90 | Very high | 8 Ų | 8 | 66.7 Ų | 66.7 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 174.8 | -63.4 | -179.1 | 0 | 0 | 0 | 112.1 | F20 M21 S22 F27 K28 L63 L66 H67 | F20-L24 HydrophobicContact CE1-CD1 3.93Å; F20-L24 HydrophobicContact CE1-CD2 4.4Å; F20-L24 HydrophobicContact CE1-CG 4.22Å; F20-L24 HydrophobicContact CZ-CD1 4.45Å; F20-L24 HydrophobicContact CZ-CD2 4.12Å; F20-L24 HydrophobicContact CZ-CG 4.42Å; F20-L24 PolarHBondContact O-N 3.44Å; F20-L24 VanDerWaalsContact O-N 3.12Å; M21-L24 WeakPolarHBondContact O-CB 3.49Å; M21-L24 PolarHBondContact O-N 2.83Å; M21-L24 VanDerWaalsContact O-N 3.16Å; M21-L24 HydrophobicContact SD-CD1 3.99Å; S22-L24 PolarHBondContact O-N 2.89Å; L24-F27 PolarHBondContact O-N 3.39Å; L24-K28 PolarHBondContact O-N 3.49Å; L24-L63 HydrophobicContact CD2-CD2 4.28Å; L24-L66 HydrophobicContact CD1-CB 4.43Å; L24-L66 HydrophobicContact CD1-CD2 4.08Å; L24-L66 HydrophobicContact CD1-CG 3.96Å; L24-L66 HydrophobicContact CD2-CD2 3.8Å; L24-H67 HydrophobicContact CB-CB 4.46Å; L24-H67 HydrophobicContact CD1-CB 4.3Å |
| 25 | L | 95.8 | Very high | 90.8 | Very high | 50 Ų | 50 | 68.8 Ų | 68.8 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.9 | -38.6 | 176.7 | -63.2 | 180 | 0 | 0 | 0 | 112.1 | M21 S22 K28 R29 H67 | M21-L25 PolarHBondContact O-N 3.18Å; S22-L25 PolarHBondContact O-N 3.03Å; L25-K28 PolarHBondContact O-N 3.44Å; L25-R29 WeakPolarHBondContact O-CG 3.48Å; L25-R29 PolarHBondContact O-N 3Å; L25-H67 HydrophobicContact CD2-CB 4.33Å; L25-H67 VanDerWaalsContact CG-CD2 3.44Å; L25-H67 WeakPolarHBondContact CG-CD2 3.06Å |
| 26 | F | 95.5 | Very high | 91.3 | Very high | 103 Ų | 103 | 64.4 Ų | 64.4 | 45% | 0.452 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 173 | 174.6 | -100.6 | 0 | 0 | 0 | 111 | S22 K23 K28 R29 N30 | S22-F26 WeakPolarHBondContact O-CB 3.43Å; S22-F26 PolarHBondContact O-N 2.98Å; K23-F26 WeakPolarHBondContact O-CB 3.46Å; K23-F26 PolarHBondContact O-N 3.3Å; F26-K28 VanDerWaalsContact C-N 3.32Å; F26-K28 PolarHBondContact O-N 3.07Å; F26-R29 PolarHBondContact O-N 3.48Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.43Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.4Å; F26-N30 PolarHBondContact O-N 3.07Å; F26-N30 PolarHBondContact O-OD1 3.25Å |
| 27 | F | 94.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 65.6 Ų | 65.6 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 176.3 | -72.2 | -16.8 | 0 | 0 | 0 | 112.9 | K23 L24 R29 N30 F31 Q38 F39 L63 | K23-F27 HydrophobicContact CD-CE1 4.25Å; K23-F27 HydrophobicContact CD-CE2 4.04Å; K23-F27 HydrophobicContact CD-CZ 3.68Å; K23-F27 HydrophobicContact CG-CD1 4.27Å; K23-F27 HydrophobicContact CG-CD2 4.31Å; K23-F27 HydrophobicContact CG-CE1 3.83Å; K23-F27 HydrophobicContact CG-CE2 3.84Å; K23-F27 HydrophobicContact CG-CZ 3.62Å; K23-F27 WeakPolarHBondContact O-CB 3.48Å; K23-F27 WeakPolarHBondContact O-CD2 3.47Å; K23-F27 WeakPolarHBondContact O-CG 3.39Å; K23-F27 PolarHBondContact O-N 2.97Å; L24-F27 PolarHBondContact O-N 3.39Å; F27-R29 PolarHBondContact O-N 3.06Å; F27-N30 PolarHBondContact O-N 2.88Å; F27-F31 WeakPolarHBondContact O-CB 3.25Å; F27-F31 PolarHBondContact O-N 3.42Å; F27-Q38 VanDerWaalsContact CD1-CD 3.48Å; F27-Q38 HydrophobicContact CD1-CG 4.09Å; F27-Q38 HydrophobicContact CE1-CB 4.17Å; F27-Q38 HydrophobicContact CE1-CG 4Å; F27-F39 HydrophobicContact CB-CZ 3.9Å; F27-F39 HydrophobicContact CD1-CZ 4.08Å; F27-F39 HydrophobicContact CD2-CE1 4.3Å; F27-F39 HydrophobicContact CD2-CZ 4.03Å; F27-F39 HydrophobicContact CE2-CE1 4.38Å; F27-F39 HydrophobicContact CG-CE1 4.42Å; F27-F39 AromaticContact CG-CZ 3.76Å; F27-F39 HydrophobicContact CG-CZ 3.76Å; F27-L63 HydrophobicContact CB-CD1 3.74Å |
| 28 | K | 95 | Very high | 91.4 | Very high | 59 Ų | 59 | 67.5 Ų | 67.5 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 176.8 | 177.8 | -178.3 | 168.2 | 174.3 | 0 | 111.5 | L24 L25 F26 F31 A32 C60 L63 Q64 | L24-K28 PolarHBondContact O-N 3.49Å; L25-K28 PolarHBondContact O-N 3.44Å; F26-K28 VanDerWaalsContact C-N 3.32Å; F26-K28 PolarHBondContact O-N 3.07Å; K28-F31 PolarHBondContact O-N 3.44Å; K28-A32 WeakPolarHBondContact O-CB 3.36Å; K28-A32 PolarHBondContact O-N 3.12Å; K28-C60 HydrophobicContact CG-CB 4.12Å; K28-L63 HydrophobicContact CB-CB 4.08Å; K28-L63 HydrophobicContact CB-CD1 3.92Å; K28-L63 VanDerWaalsContact N-CD1 3.33Å; K28-Q64 HydrophobicContact CD-CB 4.22Å |
| 29 | R | 95.8 | Very high | 91.4 | Very high | 163 Ų | 163 | 66.3 Ų | 66.3 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 179.7 | -71.4 | 173.5 | -174.8 | 156.4 | 1.7 | 111.9 | L25 F26 F27 A32 R33 | L25-R29 WeakPolarHBondContact O-CG 3.48Å; L25-R29 PolarHBondContact O-N 3Å; F26-R29 PolarHBondContact O-N 3.48Å; F27-R29 PolarHBondContact O-N 3.06Å; R29-A32 PolarHBondContact O-N 3.21Å; R29-R33 WeakPolarHBondContact O-CG 3.36Å; R29-R33 PolarHBondContact O-N 3.16Å |
| 30 | N | 92.6 | Very high | 91.1 | Very high | 12 Ų | 12 | 70.5 Ų | 70.5 | 6% | 0.064 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 179.7 | -72.3 | 10.4 | 0 | 0 | 0 | 111.2 | F26 F27 A32 R33 G34 E35 Q38 | F26-N30 WeakPolarHBondContact CE1-ND2 3.43Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.4Å; F26-N30 PolarHBondContact O-N 3.07Å; F26-N30 PolarHBondContact O-OD1 3.25Å; F27-N30 PolarHBondContact O-N 2.88Å; N30-A32 VanDerWaalsContact C-N 3.34Å; N30-A32 PolarHBondContact O-N 3.38Å; N30-R33 CarbonylContact O-C 3.49Å; N30-R33 PolarHBondContact O-N 3.04Å; N30-G34 PolarHBondContact O-N 2.95Å; N30-E35 HydrophobicContact CB-CB 3.98Å; N30-E35 PolarHBondContact O-N 3.36Å; N30-Q38 PolarHBondContact ND2-OE1 3.49Å |
| 31 | F | 91.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 176.7 | -155.3 | -102.7 | 0 | 0 | 0 | 111.9 | F27 K28 R33 G34 L36 F39 L42 I51 V56 Y59 | F27-F31 WeakPolarHBondContact O-CB 3.25Å; F27-F31 PolarHBondContact O-N 3.42Å; K28-F31 PolarHBondContact O-N 3.44Å; F31-R33 PolarHBondContact O-N 3.47Å; F31-R33 VanDerWaalsContact O-N 3.14Å; F31-G34 PolarHBondContact O-N 2.82Å; F31-L36 HydrophobicContact CD2-CD2 3.22Å; F31-L36 HydrophobicContact CE2-CD2 3.27Å; F31-L36 HydrophobicContact CG-CD2 4.18Å; F31-L36 HydrophobicContact CZ-CD2 4.31Å; F31-F39 HydrophobicContact CD2-CD2 4.22Å; F31-F39 HydrophobicContact CD2-CE2 4.04Å; F31-L42 HydrophobicContact CD2-CD1 4.45Å; F31-L42 HydrophobicContact CE2-CD1 3.53Å; F31-L42 HydrophobicContact CZ-CD1 4.17Å; F31-I51 HydrophobicContact CE2-CD1 4.2Å; F31-I51 HydrophobicContact CZ-CD1 3.93Å; F31-I51 HydrophobicContact CZ-CG2 4.5Å; F31-V56 HydrophobicContact CD1-CB 4.49Å; F31-V56 HydrophobicContact CD1-CG1 4.12Å; F31-V56 HydrophobicContact CE1-CB 4.36Å; F31-V56 HydrophobicContact CE1-CG1 4.48Å; F31-V56 HydrophobicContact CE1-CG2 4.27Å; F31-Y59 HydrophobicContact CB-CD1 3.97Å; F31-Y59 HydrophobicContact CB-CE1 4.21Å; F31-Y59 AromaticContact CD1-CD1 3.31Å; F31-Y59 HydrophobicContact CD1-CD1 3.31Å; F31-Y59 HydrophobicContact CD1-CE1 4.21Å; F31-Y59 AromaticContact CD1-CG 3.81Å; F31-Y59 HydrophobicContact CD1-CG 3.81Å; F31-Y59 AromaticContact CD2-CD1 3.58Å; F31-Y59 HydrophobicContact CD2-CD1 3.58Å; F31-Y59 AromaticContact CD2-CE1 3.64Å; F31-Y59 HydrophobicContact CD2-CE1 3.64Å; F31-Y59 HydrophobicContact CD2-CG 4.36Å; F31-Y59 AromaticContact CE1-CD1 3.52Å; F31-Y59 HydrophobicContact CE1-CD1 3.52Å; F31-Y59 HydrophobicContact CE1-CD2 4.49Å; F31-Y59 HydrophobicContact CE1-CE1 4.47Å; F31-Y59 AromaticContact CE1-CG 3.52Å; F31-Y59 HydrophobicContact CE1-CG 3.52Å; F31-Y59 AromaticContact CE2-CD1 3.84Å; F31-Y59 HydrophobicContact CE2-CD1 3.84Å; F31-Y59 HydrophobicContact CE2-CE1 4.02Å; F31-Y59 HydrophobicContact CE2-CG 4.19Å; F31-Y59 AromaticContact CG-CD1 3.32Å; F31-Y59 HydrophobicContact CG-CD1 3.32Å; F31-Y59 AromaticContact CG-CE1 3.76Å; F31-Y59 HydrophobicContact CG-CE1 3.76Å; F31-Y59 HydrophobicContact CG-CG 4.2Å; F31-Y59 AromaticContact CZ-CD1 3.81Å; F31-Y59 HydrophobicContact CZ-CD1 3.81Å; F31-Y59 HydrophobicContact CZ-CD2 4.36Å; F31-Y59 HydrophobicContact CZ-CE1 4.41Å; F31-Y59 AromaticContact CZ-CG 3.76Å; F31-Y59 HydrophobicContact CZ-CG 3.76Å |
| 32 | A | 92.2 | Very high | 90.3 | Very high | 64 Ų | 64 | 70.8 Ų | 70.8 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.1 | -19.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K28 R29 N30 | K28-A32 WeakPolarHBondContact O-CB 3.36Å; K28-A32 PolarHBondContact O-N 3.12Å; R29-A32 PolarHBondContact O-N 3.21Å; N30-A32 VanDerWaalsContact C-N 3.34Å; N30-A32 PolarHBondContact O-N 3.38Å |
| 33 | R | 91.2 | Very high | 89.7 | Confident | 176 Ų | 176 | 68.6 Ų | 68.6 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -2.5 | 175.6 | -68 | 174.4 | 179.1 | -178.6 | -2.1 | 113.5 | R29 N30 F31 E35 | R29-R33 WeakPolarHBondContact O-CG 3.36Å; R29-R33 PolarHBondContact O-N 3.16Å; N30-R33 CarbonylContact O-C 3.49Å; N30-R33 PolarHBondContact O-N 3.04Å; F31-R33 PolarHBondContact O-N 3.47Å; F31-R33 VanDerWaalsContact O-N 3.14Å; R33-E35 VanDerWaalsContact C-N 3.26Å; R33-E35 HydrophobicContact CB-CG 4.08Å; R33-E35 VanDerWaalsContact CD-OE1 3.32Å; R33-E35 WeakPolarHBondContact CD-OE1 3.43Å; R33-E35 IonicContact NH1-OE1 2.82Å; R33-E35 PolarHBondContact O-N 3Å |
| 34 | G | 87.6 | Confident | 89.2 | Confident | 54 Ų | 54 | 69 Ų | 69 | 56% | 0.557 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 14.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N30 F31 L36 | N30-G34 PolarHBondContact O-N 2.95Å; F31-G34 PolarHBondContact O-N 2.82Å; G34-L36 PolarHBondContact O-N 3.42Å |
| 35 | E | 89 | Confident | 88.5 | Confident | 88 Ų | 88 | 72.2 Ų | 72.2 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | trans | -84.1 | 88.7 | 177.5 | -67.3 | 176.6 | -142.7 | 0 | 0 | 110.2 | N30 R33 | N30-E35 HydrophobicContact CB-CB 3.98Å; N30-E35 PolarHBondContact O-N 3.36Å; R33-E35 VanDerWaalsContact C-N 3.26Å; R33-E35 HydrophobicContact CB-CG 4.08Å; R33-E35 VanDerWaalsContact CD-OE1 3.32Å; R33-E35 WeakPolarHBondContact CD-OE1 3.43Å; R33-E35 IonicContact NH1-OE1 2.82Å; R33-E35 PolarHBondContact O-N 3Å | ||
| 36 | L | 85.6 | Confident | 87.5 | Confident | 22 Ų | 22 | 71 Ų | 71 | 12% | 0.115 | 38% | 0.383 | C | S | . | . | trans | -102.1 | 5.5 | -169.7 | -56 | 179.4 | 0 | 0 | 0 | 115.1 | F31 G34 Q38 F39 L42 A43 I51 | F31-L36 HydrophobicContact CD2-CD2 3.22Å; F31-L36 HydrophobicContact CE2-CD2 3.27Å; F31-L36 HydrophobicContact CG-CD2 4.18Å; F31-L36 HydrophobicContact CZ-CD2 4.31Å; G34-L36 PolarHBondContact O-N 3.42Å; L36-Q38 PolarHBondContact O-N 2.94Å; L36-F39 HydrophobicContact CD2-CD2 4.48Å; L36-F39 CarbonylContact O-C 3.4Å; L36-F39 WeakPolarHBondContact O-CA 3.44Å; L36-F39 PolarHBondContact O-N 3.08Å; L36-L42 HydrophobicContact CD1-CB 4.29Å; L36-A43 HydrophobicContact CB-CB 4.38Å; L36-I51 HydrophobicContact CD1-CD1 3.4Å; L36-I51 HydrophobicContact CD1-CG1 4.19Å; L36-I51 HydrophobicContact CD2-CD1 4.45Å | ||
| 37 | S | 84.3 | Confident | 86.5 | Confident | 107 Ų | 107 | 73 Ų | 73 | 75% | 0.748 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -27.6 | -174 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | F39 | S37-F39 VanDerWaalsContact C-N 3.26Å; S37-F39 PolarHBondContact O-N 3.49Å |
| 38 | Q | 85.6 | Confident | 85.6 | Confident | 58 Ų | 58 | 79.5 Ų | 79.5 | 27% | 0.271 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13.1 | 175.2 | 67.8 | -147.3 | 20.8 | 0 | 0 | 114.3 | F27 N30 L36 | F27-Q38 VanDerWaalsContact CD1-CD 3.48Å; F27-Q38 HydrophobicContact CD1-CG 4.09Å; F27-Q38 HydrophobicContact CE1-CB 4.17Å; F27-Q38 HydrophobicContact CE1-CG 4Å; N30-Q38 PolarHBondContact ND2-OE1 3.49Å; L36-Q38 PolarHBondContact O-N 2.94Å |
| 39 | F | 86.1 | Confident | 84.7 | Confident | 34 Ų | 34 | 80.2 Ų | 80.2 | 15% | 0.149 | 45% | 0.453 | C | S | . | . | trans | -121.1 | 83 | -178.2 | -57.3 | -62.6 | 0 | 0 | 0 | 109.4 | F27 F31 L36 S37 G41 L42 A43 Y59 | F27-F39 HydrophobicContact CB-CZ 3.9Å; F27-F39 HydrophobicContact CD1-CZ 4.08Å; F27-F39 HydrophobicContact CD2-CE1 4.3Å; F27-F39 HydrophobicContact CD2-CZ 4.03Å; F27-F39 HydrophobicContact CE2-CE1 4.38Å; F27-F39 HydrophobicContact CG-CE1 4.42Å; F27-F39 AromaticContact CG-CZ 3.76Å; F27-F39 HydrophobicContact CG-CZ 3.76Å; F31-F39 HydrophobicContact CD2-CD2 4.22Å; F31-F39 HydrophobicContact CD2-CE2 4.04Å; L36-F39 HydrophobicContact CD2-CD2 4.48Å; L36-F39 CarbonylContact O-C 3.4Å; L36-F39 WeakPolarHBondContact O-CA 3.44Å; L36-F39 PolarHBondContact O-N 3.08Å; S37-F39 VanDerWaalsContact C-N 3.26Å; S37-F39 PolarHBondContact O-N 3.49Å; F39-G41 PolarHBondContact O-N 2.94Å; F39-L42 HydrophobicContact CB-CB 3.82Å; F39-L42 HydrophobicContact CB-CD1 3.81Å; F39-L42 HydrophobicContact CB-CG 4.02Å; F39-L42 HydrophobicContact CD2-CD1 4.11Å; F39-L42 HydrophobicContact CG-CD1 3.94Å; F39-L42 PolarHBondContact O-N 3.31Å; F39-A43 PolarHBondContact O-N 2.87Å; F39-Y59 VanDerWaalsContact CE1-OH 3.23Å; F39-Y59 WeakPolarHBondContact CE1-OH 3.37Å; F39-Y59 HydrophobicContact CE2-CE1 4.13Å; F39-Y59 HydrophobicContact CZ-CE1 4.08Å; F39-Y59 WeakPolarHBondContact CZ-OH 2.98Å | ||
| 40 | Q | 83.4 | Confident | 84 | Confident | 163 Ų | 163 | 74.5 Ų | 74.5 | 76% | 0.762 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -50.7 | -39.7 | -174 | -70.1 | -178.2 | -27 | 0 | 0 | 113.7 | Q44 | Q40-Q44 WeakPolarHBondContact O-CG 3.43Å; Q40-Q44 PolarHBondContact O-N 2.91Å |
| 41 | G | 84.2 | Confident | 83.6 | Confident | 48 Ų | 48 | 76 Ų | 76 | 50% | 0.495 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | F39 Q44 V45 | F39-G41 PolarHBondContact O-N 2.94Å; G41-Q44 PolarHBondContact O-N 3.31Å; G41-V45 WeakPolarHBondContact O-CG2 3.41Å; G41-V45 PolarHBondContact O-N 3.36Å |
| 42 | L | 83.7 | Confident | 83.6 | Confident | 52 Ų | 52 | 78.4 Ų | 78.4 | 27% | 0.272 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.8 | -31 | 179.9 | -60.9 | 173 | 0 | 0 | 0 | 111.8 | F31 L36 F39 Q44 V45 G46 I51 Y59 | F31-L42 HydrophobicContact CD2-CD1 4.45Å; F31-L42 HydrophobicContact CE2-CD1 3.53Å; F31-L42 HydrophobicContact CZ-CD1 4.17Å; L36-L42 HydrophobicContact CD1-CB 4.29Å; F39-L42 HydrophobicContact CB-CB 3.82Å; F39-L42 HydrophobicContact CB-CD1 3.81Å; F39-L42 HydrophobicContact CB-CG 4.02Å; F39-L42 HydrophobicContact CD2-CD1 4.11Å; F39-L42 HydrophobicContact CG-CD1 3.94Å; F39-L42 PolarHBondContact O-N 3.31Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.19Å; L42-V45 PolarHBondContact O-N 3.37Å; L42-G46 PolarHBondContact O-N 3.42Å; L42-I51 HydrophobicContact CB-CD1 4.23Å; L42-I51 HydrophobicContact CD2-CD1 4.36Å; L42-Y59 HydrophobicContact CD1-CE2 4.44Å |
| 43 | A | 82.4 | Confident | 83.5 | Confident | 27 Ų | 27 | 83.4 Ų | 83.4 | 22% | 0.223 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.3 | -36.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L36 F39 N47 | L36-A43 HydrophobicContact CB-CB 4.38Å; F39-A43 PolarHBondContact O-N 2.87Å; A43-N47 VanDerWaalsContact O-CG 3.27Å; A43-N47 PolarHBondContact O-N 3.18Å; A43-N47 PolarHBondContact O-ND2 3.49Å |
| 44 | Q | 82.1 | Confident | 83.6 | Confident | 122 Ų | 122 | 78.1 Ų | 78.1 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.3 | -49.1 | 174.6 | -70.7 | 171.5 | 12.2 | 0 | 0 | 111.4 | Q40 G41 L42 G46 N47 E48 | Q40-Q44 WeakPolarHBondContact O-CG 3.43Å; Q40-Q44 PolarHBondContact O-N 2.91Å; G41-Q44 PolarHBondContact O-N 3.31Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.19Å; Q44-G46 VanDerWaalsContact C-N 3.3Å; Q44-G46 PolarHBondContact O-N 3.35Å; Q44-N47 WeakPolarHBondContact O-CB 3.48Å; Q44-N47 PolarHBondContact O-N 3.28Å; Q44-E48 PolarHBondContact O-N 3.27Å |
| 45 | V | 81 | Confident | 83.8 | Confident | 74 Ų | 74 | 79.6 Ų | 79.6 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 177.6 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | G41 L42 N47 E48 G49 I51 | G41-V45 WeakPolarHBondContact O-CG2 3.41Å; G41-V45 PolarHBondContact O-N 3.36Å; L42-V45 PolarHBondContact O-N 3.37Å; V45-N47 PolarHBondContact O-N 2.88Å; V45-E48 PolarHBondContact O-N 3.11Å; V45-E48 VanDerWaalsContact O-N 3.09Å; V45-G49 PolarHBondContact O-N 2.97Å; V45-I51 HydrophobicContact CG1-CG1 4.43Å |
| 46 | G | 75 | Confident | 83.9 | Confident | 26 Ų | 26 | 77.1 Ų | 77.1 | 27% | 0.268 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.7 | -31.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L42 Q44 G50 | L42-G46 PolarHBondContact O-N 3.42Å; Q44-G46 VanDerWaalsContact C-N 3.3Å; Q44-G46 PolarHBondContact O-N 3.35Å; G46-G50 WeakPolarHBondContact O-CA 3.37Å; G46-G50 PolarHBondContact O-N 2.83Å |
| 47 | N | 75.5 | Confident | 84.3 | Confident | 145 Ų | 145 | 82 Ų | 82 | 78% | 0.775 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -79.6 | -24.1 | 177.3 | -66.1 | -26 | 0 | 0 | 0 | 113.4 | A43 Q44 V45 | A43-N47 VanDerWaalsContact O-CG 3.27Å; A43-N47 PolarHBondContact O-N 3.18Å; A43-N47 PolarHBondContact O-ND2 3.49Å; Q44-N47 WeakPolarHBondContact O-CB 3.48Å; Q44-N47 PolarHBondContact O-N 3.28Å; V45-N47 PolarHBondContact O-N 2.88Å |
| 48 | E | 74.5 | Confident | 84.8 | Confident | 170 Ų | 170 | 82 Ų | 82 | 79% | 0.794 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -95.1 | -14.8 | -172.6 | -70 | 178.1 | -178.8 | 0 | 0 | 114 | Q44 V45 | Q44-E48 PolarHBondContact O-N 3.27Å; V45-E48 PolarHBondContact O-N 3.11Å; V45-E48 VanDerWaalsContact O-N 3.09Å |
| 49 | G | 75.6 | Confident | 85.2 | Confident | 74 Ų | 74 | 82.2 Ų | 82.2 | 76% | 0.763 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -175.6 | 6.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V45 | V45-G49 PolarHBondContact O-N 2.97Å |
| 50 | G | 81.4 | Confident | 85.6 | Confident | 42 Ų | 42 | 81.3 Ų | 81.3 | 43% | 0.433 | 47% | 0.472 | S | S | . | . | trans | 70.4 | 168.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G46 | G46-G50 WeakPolarHBondContact O-CA 3.37Å; G46-G50 PolarHBondContact O-N 2.83Å | ||
| 51 | I | 84.9 | Confident | 86.2 | Confident | 44 Ų | 44 | 79.2 Ų | 79.2 | 23% | 0.226 | 46% | 0.462 | C | S | . | . | trans | -101.8 | 133.8 | 170.1 | -59.6 | -173.7 | 0 | 0 | 0 | 106.9 | F31 L36 L42 V45 D55 V56 | F31-I51 HydrophobicContact CE2-CD1 4.2Å; F31-I51 HydrophobicContact CZ-CD1 3.93Å; F31-I51 HydrophobicContact CZ-CG2 4.5Å; L36-I51 HydrophobicContact CD1-CD1 3.4Å; L36-I51 HydrophobicContact CD1-CG1 4.19Å; L36-I51 HydrophobicContact CD2-CD1 4.45Å; L42-I51 HydrophobicContact CB-CD1 4.23Å; L42-I51 HydrophobicContact CD2-CD1 4.36Å; V45-I51 HydrophobicContact CG1-CG1 4.43Å; I51-D55 HydrophobicContact CG2-CB 3.59Å; I51-V56 HydrophobicContact CB-CG2 4.32Å; I51-V56 HydrophobicContact CG2-CG2 3.86Å | ||
| 52 | S | 89.5 | Confident | 86.8 | Confident | 56 Ų | 56 | 82.4 Ų | 82.4 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | trans | -64.9 | 150.7 | 179.5 | 81.1 | 0 | 0 | 0 | 0 | 111 | A54 D55 V56 | S52-A54 PolarHBondContact O-N 3.04Å; S52-D55 WeakPolarHBondContact CB-OD2 3.44Å; S52-D55 PolarHBondContact O-N 2.94Å; S52-D55 VanDerWaalsContact O-N 3.07Å; S52-D55 PolarHBondContact OG-N 3.04Å; S52-D55 VanDerWaalsContact OG-N 3.14Å; S52-D55 PolarHBondContact OG-OD2 3.45Å; S52-V56 WeakPolarHBondContact O-CG2 3.37Å; S52-V56 PolarHBondContact O-N 3.4Å | ||
| 53 | E | 91 | Very high | 87.4 | Confident | 170 Ų | 170 | 80.2 Ų | 80.2 | 79% | 0.794 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.5 | -36 | 177.8 | -173.3 | 173.5 | -169.4 | 0 | 0 | 112 | V56 E57 | E53-V56 WeakPolarHBondContact O-CB 3.44Å; E53-V56 PolarHBondContact O-N 3.21Å; E53-E57 PolarHBondContact O-N 3.17Å |
| 54 | A | 93.6 | Very high | 88.1 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S52 V56 E57 L58 | S52-A54 PolarHBondContact O-N 3.04Å; A54-V56 VanDerWaalsContact C-N 3.34Å; A54-E57 PolarHBondContact O-N 3.41Å; A54-L58 WeakPolarHBondContact O-CB 3.42Å; A54-L58 PolarHBondContact O-N 3.23Å |
| 55 | D | 91 | Very high | 88.9 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 175.3 | -63.3 | -44.3 | 0 | 0 | 0 | 111.4 | I51 S52 Y59 | I51-D55 HydrophobicContact CG2-CB 3.59Å; S52-D55 WeakPolarHBondContact CB-OD2 3.44Å; S52-D55 PolarHBondContact O-N 2.94Å; S52-D55 VanDerWaalsContact O-N 3.07Å; S52-D55 PolarHBondContact OG-N 3.04Å; S52-D55 VanDerWaalsContact OG-N 3.14Å; S52-D55 PolarHBondContact OG-OD2 3.45Å; D55-Y59 WeakPolarHBondContact O-CB 3.28Å; D55-Y59 PolarHBondContact O-N 2.96Å |
| 56 | V | 91.8 | Very high | 89.7 | Confident | 36 Ų | 36 | 77 Ų | 77 | 22% | 0.218 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.1 | -50.7 | 172.7 | 175.5 | 0 | 0 | 0 | 0 | 111 | F31 I51 S52 E53 A54 C60 | F31-V56 HydrophobicContact CD1-CB 4.49Å; F31-V56 HydrophobicContact CD1-CG1 4.12Å; F31-V56 HydrophobicContact CE1-CB 4.36Å; F31-V56 HydrophobicContact CE1-CG1 4.48Å; F31-V56 HydrophobicContact CE1-CG2 4.27Å; I51-V56 HydrophobicContact CB-CG2 4.32Å; I51-V56 HydrophobicContact CG2-CG2 3.86Å; S52-V56 WeakPolarHBondContact O-CG2 3.37Å; S52-V56 PolarHBondContact O-N 3.4Å; E53-V56 WeakPolarHBondContact O-CB 3.44Å; E53-V56 PolarHBondContact O-N 3.21Å; A54-V56 VanDerWaalsContact C-N 3.34Å; V56-C60 WeakPolarHBondContact O-CB 3.13Å; V56-C60 PolarHBondContact O-N 3.34Å; V56-C60 PolarHBondContact O-SG 3.48Å |
| 57 | E | 94.8 | Very high | 90.7 | Very high | 123 Ų | 123 | 77.4 Ų | 77.4 | 58% | 0.575 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.7 | -50.4 | 178.4 | -172.1 | 168.4 | -153.5 | 0 | 0 | 111.4 | E53 A54 Y59 C60 E61 | E53-E57 PolarHBondContact O-N 3.17Å; A54-E57 PolarHBondContact O-N 3.41Å; E57-Y59 VanDerWaalsContact C-N 3.32Å; E57-Y59 PolarHBondContact O-N 3.35Å; E57-C60 WeakPolarHBondContact O-CB 3.17Å; E57-C60 PolarHBondContact O-N 2.89Å; E57-C60 VanDerWaalsContact O-N 3.07Å; E57-E61 WeakPolarHBondContact O-CG 3.21Å; E57-E61 PolarHBondContact O-N 3.23Å |
| 58 | L | 94.9 | Very high | 91.7 | Very high | 109 Ų | 109 | 77.1 Ų | 77.1 | 57% | 0.571 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -56.7 | -44 | -179.6 | -177.6 | 66.5 | 0 | 0 | 0 | 112.5 | A54 E61 H62 | A54-L58 WeakPolarHBondContact O-CB 3.42Å; A54-L58 PolarHBondContact O-N 3.23Å; L58-E61 PolarHBondContact O-N 2.78Å; L58-H62 WeakPolarHBondContact O-CB 3.2Å; L58-H62 PolarHBondContact O-N 3.02Å |
| 59 | Y | 92.3 | Very high | 92.8 | Very high | 62 Ų | 62 | 70.7 Ų | 70.7 | 24% | 0.243 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 178.1 | -170.6 | -95.5 | 0 | 0 | 0 | 112.1 | F31 F39 L42 D55 E57 E61 H62 L63 | F31-Y59 HydrophobicContact CB-CD1 3.97Å; F31-Y59 HydrophobicContact CB-CE1 4.21Å; F31-Y59 AromaticContact CD1-CD1 3.31Å; F31-Y59 HydrophobicContact CD1-CD1 3.31Å; F31-Y59 HydrophobicContact CD1-CE1 4.21Å; F31-Y59 AromaticContact CD1-CG 3.81Å; F31-Y59 HydrophobicContact CD1-CG 3.81Å; F31-Y59 AromaticContact CD2-CD1 3.58Å; F31-Y59 HydrophobicContact CD2-CD1 3.58Å; F31-Y59 AromaticContact CD2-CE1 3.64Å; F31-Y59 HydrophobicContact CD2-CE1 3.64Å; F31-Y59 HydrophobicContact CD2-CG 4.36Å; F31-Y59 AromaticContact CE1-CD1 3.52Å; F31-Y59 HydrophobicContact CE1-CD1 3.52Å; F31-Y59 HydrophobicContact CE1-CD2 4.49Å; F31-Y59 HydrophobicContact CE1-CE1 4.47Å; F31-Y59 AromaticContact CE1-CG 3.52Å; F31-Y59 HydrophobicContact CE1-CG 3.52Å; F31-Y59 AromaticContact CE2-CD1 3.84Å; F31-Y59 HydrophobicContact CE2-CD1 3.84Å; F31-Y59 HydrophobicContact CE2-CE1 4.02Å; F31-Y59 HydrophobicContact CE2-CG 4.19Å; F31-Y59 AromaticContact CG-CD1 3.32Å; F31-Y59 HydrophobicContact CG-CD1 3.32Å; F31-Y59 AromaticContact CG-CE1 3.76Å; F31-Y59 HydrophobicContact CG-CE1 3.76Å; F31-Y59 HydrophobicContact CG-CG 4.2Å; F31-Y59 AromaticContact CZ-CD1 3.81Å; F31-Y59 HydrophobicContact CZ-CD1 3.81Å; F31-Y59 HydrophobicContact CZ-CD2 4.36Å; F31-Y59 HydrophobicContact CZ-CE1 4.41Å; F31-Y59 AromaticContact CZ-CG 3.76Å; F31-Y59 HydrophobicContact CZ-CG 3.76Å; F39-Y59 VanDerWaalsContact CE1-OH 3.23Å; F39-Y59 WeakPolarHBondContact CE1-OH 3.37Å; F39-Y59 HydrophobicContact CE2-CE1 4.13Å; F39-Y59 HydrophobicContact CZ-CE1 4.08Å; F39-Y59 WeakPolarHBondContact CZ-OH 2.98Å; L42-Y59 HydrophobicContact CD1-CE2 4.44Å; D55-Y59 WeakPolarHBondContact O-CB 3.28Å; D55-Y59 PolarHBondContact O-N 2.96Å; E57-Y59 VanDerWaalsContact C-N 3.32Å; E57-Y59 PolarHBondContact O-N 3.35Å; Y59-E61 VanDerWaalsContact C-N 3.32Å; Y59-E61 PolarHBondContact O-N 3.33Å; Y59-H62 WeakPolarHBondContact O-CB 3.41Å; Y59-H62 PolarHBondContact O-N 3.34Å; Y59-L63 HydrophobicContact CD1-CD1 3.76Å; Y59-L63 HydrophobicContact CD1-CG 4.09Å; Y59-L63 HydrophobicContact CE1-CD1 3.32Å; Y59-L63 HydrophobicContact CE1-CD2 4.33Å; Y59-L63 HydrophobicContact CE1-CG 3.78Å; Y59-L63 PolarHBondContact O-N 2.96Å |
| 60 | C | 95.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 10% | 0.101 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 176.1 | -72.6 | 0 | 0 | 0 | 0 | 112 | K28 V56 E57 Q64 | K28-C60 HydrophobicContact CG-CB 4.12Å; V56-C60 WeakPolarHBondContact O-CB 3.13Å; V56-C60 PolarHBondContact O-N 3.34Å; V56-C60 PolarHBondContact O-SG 3.48Å; E57-C60 WeakPolarHBondContact O-CB 3.17Å; E57-C60 PolarHBondContact O-N 2.89Å; E57-C60 VanDerWaalsContact O-N 3.07Å; C60-Q64 WeakPolarHBondContact O-CB 3.17Å; C60-Q64 PolarHBondContact O-N 3.24Å; C60-Q64 VanDerWaalsContact O-N 3.08Å |
| 61 | E | 97.2 | Very high | 94.3 | Very high | 119 Ų | 119 | 70.1 Ų | 70.1 | 56% | 0.556 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 171.8 | -71.4 | -170.9 | 154.9 | 0 | 0 | 111.5 | E57 L58 Y59 L63 Q64 A65 | E57-E61 WeakPolarHBondContact O-CG 3.21Å; E57-E61 PolarHBondContact O-N 3.23Å; L58-E61 PolarHBondContact O-N 2.78Å; Y59-E61 VanDerWaalsContact C-N 3.32Å; Y59-E61 PolarHBondContact O-N 3.33Å; E61-L63 PolarHBondContact O-N 3.41Å; E61-Q64 WeakPolarHBondContact O-CB 3.25Å; E61-Q64 PolarHBondContact O-N 2.91Å; E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.38Å |
| 62 | H | 96.5 | Very high | 94.9 | Very high | 114 Ų | 114 | 76.7 Ų | 76.7 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 177.3 | -178.9 | 73.9 | 0 | 0 | 0 | 112.1 | L58 Y59 Q64 A65 L66 | L58-H62 WeakPolarHBondContact O-CB 3.2Å; L58-H62 PolarHBondContact O-N 3.02Å; Y59-H62 WeakPolarHBondContact O-CB 3.41Å; Y59-H62 PolarHBondContact O-N 3.34Å; H62-Q64 VanDerWaalsContact C-N 3.26Å; H62-Q64 PolarHBondContact O-N 3.34Å; H62-A65 PolarHBondContact O-N 2.88Å; H62-L66 WeakPolarHBondContact O-CB 3.44Å; H62-L66 PolarHBondContact O-N 3.05Å |
| 63 | L | 96.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 81.4 Ų | 81.4 | 4% | 0.037 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 176.4 | -72.9 | -178.9 | 0 | 0 | 0 | 112.1 | L24 F27 K28 Y59 E61 H67 | L24-L63 HydrophobicContact CD2-CD2 4.28Å; F27-L63 HydrophobicContact CB-CD1 3.74Å; K28-L63 HydrophobicContact CB-CB 4.08Å; K28-L63 HydrophobicContact CB-CD1 3.92Å; K28-L63 VanDerWaalsContact N-CD1 3.33Å; Y59-L63 HydrophobicContact CD1-CD1 3.76Å; Y59-L63 HydrophobicContact CD1-CG 4.09Å; Y59-L63 HydrophobicContact CE1-CD1 3.32Å; Y59-L63 HydrophobicContact CE1-CD2 4.33Å; Y59-L63 HydrophobicContact CE1-CG 3.78Å; Y59-L63 PolarHBondContact O-N 2.96Å; E61-L63 PolarHBondContact O-N 3.41Å; L63-H67 WeakPolarHBondContact O-CB 3.11Å; L63-H67 PolarHBondContact O-N 3.21Å |
| 64 | Q | 97.4 | Very high | 95.1 | Very high | 50 Ų | 50 | 76.4 Ų | 76.4 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 175.9 | -174.7 | 62.1 | 66.9 | 0 | 0 | 112.2 | K28 C60 E61 H62 K68 | K28-Q64 HydrophobicContact CD-CB 4.22Å; C60-Q64 WeakPolarHBondContact O-CB 3.17Å; C60-Q64 PolarHBondContact O-N 3.24Å; C60-Q64 VanDerWaalsContact O-N 3.08Å; E61-Q64 WeakPolarHBondContact O-CB 3.25Å; E61-Q64 PolarHBondContact O-N 2.91Å; H62-Q64 VanDerWaalsContact C-N 3.26Å; H62-Q64 PolarHBondContact O-N 3.34Å; Q64-K68 WeakPolarHBondContact O-CG 3.36Å; Q64-K68 PolarHBondContact O-N 3.01Å |
| 65 | A | 97.7 | Very high | 95 | Very high | 56 Ų | 56 | 79.4 Ų | 79.4 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E61 H62 H67 K68 D69 | E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.38Å; H62-A65 PolarHBondContact O-N 2.88Å; A65-H67 PolarHBondContact O-N 2.91Å; A65-K68 PolarHBondContact O-N 3.48Å; A65-D69 WeakPolarHBondContact O-CB 3.47Å; A65-D69 PolarHBondContact O-N 3.34Å |
| 66 | L | 97 | Very high | 94.9 | Very high | 49 Ų | 49 | 80 Ų | 80 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 176.3 | -171.5 | 64.2 | 0 | 0 | 0 | 111.5 | L24 H62 D69 F70 | L24-L66 HydrophobicContact CD1-CB 4.43Å; L24-L66 HydrophobicContact CD1-CD2 4.08Å; L24-L66 HydrophobicContact CD1-CG 3.96Å; L24-L66 HydrophobicContact CD2-CD2 3.8Å; H62-L66 WeakPolarHBondContact O-CB 3.44Å; H62-L66 PolarHBondContact O-N 3.05Å; L66-D69 PolarHBondContact O-N 3.01Å; L66-F70 HydrophobicContact CD1-CD2 3.81Å; L66-F70 HydrophobicContact CD1-CE2 3.52Å; L66-F70 HydrophobicContact CG-CD2 4.12Å; L66-F70 HydrophobicContact CG-CE2 4.12Å; L66-F70 WeakPolarHBondContact O-CD2 3.39Å; L66-F70 PolarHBondContact O-N 2.96Å |
| 67 | H | 97.3 | Very high | 94.7 | Very high | 35 Ų | 35 | 78.9 Ų | 78.9 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 174.4 | -180 | -75.3 | 0 | 0 | 0 | 111.2 | M21 L24 L25 L63 A65 D69 F70 T71 | M21-H67 HydrophobicContact CE-CB 4.3Å; M21-H67 VanDerWaalsContact CE-CD2 3.41Å; M21-H67 WeakPolarHBondContact CE-CD2 3.44Å; M21-H67 WeakPolarHBondContact CE-O 3.5Å; L24-H67 HydrophobicContact CB-CB 4.46Å; L24-H67 HydrophobicContact CD1-CB 4.3Å; L25-H67 HydrophobicContact CD2-CB 4.33Å; L25-H67 VanDerWaalsContact CG-CD2 3.44Å; L25-H67 WeakPolarHBondContact CG-CD2 3.06Å; L63-H67 WeakPolarHBondContact O-CB 3.11Å; L63-H67 PolarHBondContact O-N 3.21Å; A65-H67 PolarHBondContact O-N 2.91Å; H67-D69 VanDerWaalsContact C-N 3.3Å; H67-D69 PolarHBondContact O-N 3.37Å; H67-F70 PolarHBondContact O-N 3.38Å; H67-T71 PolarHBondContact CE1-OG1 3.2Å; H67-T71 WeakPolarHBondContact O-CB 3.09Å; H67-T71 PolarHBondContact O-N 2.87Å; H67-T71 PolarHBondContact O-OG1 3.17Å |
| 68 | K | 96.9 | Very high | 94.2 | Very high | 139 Ų | 139 | 75.5 Ų | 75.5 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59 | -41.6 | 178.8 | -74.7 | 175.5 | 177.4 | -179.3 | 0 | 112.3 | Q64 A65 T71 R72 | Q64-K68 WeakPolarHBondContact O-CG 3.36Å; Q64-K68 PolarHBondContact O-N 3.01Å; A65-K68 PolarHBondContact O-N 3.48Å; K68-T71 PolarHBondContact O-N 3.22Å; K68-R72 WeakPolarHBondContact O-CB 3.41Å; K68-R72 PolarHBondContact O-N 3.17Å |
| 69 | D | 97.1 | Very high | 93.8 | Very high | 35 Ų | 35 | 73.8 Ų | 73.8 | 19% | 0.187 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 179.7 | -179 | 59.1 | 0 | 0 | 0 | 111.8 | A65 L66 H67 R72 R73 | A65-D69 WeakPolarHBondContact O-CB 3.47Å; A65-D69 PolarHBondContact O-N 3.34Å; L66-D69 PolarHBondContact O-N 3.01Å; H67-D69 VanDerWaalsContact C-N 3.3Å; H67-D69 PolarHBondContact O-N 3.37Å; D69-R72 PolarHBondContact O-N 2.82Å; D69-R72 IonicContact OD1-NH2 2.91Å; D69-R72 PolarHBondContact OD1-NH2 2.91Å; D69-R73 WeakPolarHBondContact O-CB 3.33Å; D69-R73 WeakPolarHBondContact O-CG 3.47Å; D69-R73 PolarHBondContact O-N 2.87Å; D69-R73 IonicContact OD1-CZ 2.96Å; D69-R73 IonicContact OD1-NE 3.34Å; D69-R73 PolarHBondContact OD1-NE 3.25Å; D69-R73 IonicContact OD1-NH2 3.95Å; D69-R73 PolarHBondContact OD1-NH2 3.45Å; D69-R73 IonicContact OD2-CZ 3.91Å; D69-R73 IonicContact OD2-NE 2.78Å; D69-R73 PolarHBondContact OD2-NE 2.87Å; D69-R73 IonicContact OD2-NH1 3.51Å; D69-R73 IonicContact OD2-NH2 3.23Å; D69-R73 PolarHBondContact OD2-NH2 3.47Å |
| 70 | F | 94.9 | Very high | 93.4 | Very high | 47 Ų | 47 | 73.3 Ų | 73.3 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.7 | -88.9 | -113.5 | 0 | 0 | 0 | 112.4 | F20 M21 L66 H67 R72 R73 F74 | F20-F70 HydrophobicContact CD1-CD1 4.11Å; F20-F70 HydrophobicContact CD1-CE1 4.05Å; F20-F70 AromaticContact CE1-CD1 3.77Å; F20-F70 HydrophobicContact CE1-CD1 3.77Å; F20-F70 AromaticContact CE1-CE1 3.47Å; F20-F70 HydrophobicContact CE1-CE1 3.47Å; F20-F70 VanDerWaalsContact CE1-CE1 3.47Å; F20-F70 HydrophobicContact CE1-CE2 4.5Å; F20-F70 HydrophobicContact CE1-CG 4.41Å; F20-F70 AromaticContact CE1-CZ 3.87Å; F20-F70 HydrophobicContact CE1-CZ 3.87Å; F20-F70 HydrophobicContact CZ-CE1 4.31Å; F20-F70 HydrophobicContact CZ-CZ 4.37Å; M21-F70 HydrophobicContact CE-CB 3.71Å; M21-F70 HydrophobicContact SD-CB 3.21Å; M21-F70 WeakPolarHBondContact SD-CB 3.5Å; M21-F70 HydrophobicContact SD-CD1 4.15Å; M21-F70 HydrophobicContact SD-CG 3.95Å; L66-F70 HydrophobicContact CD1-CD2 3.81Å; L66-F70 HydrophobicContact CD1-CE2 3.52Å; L66-F70 HydrophobicContact CG-CD2 4.12Å; L66-F70 HydrophobicContact CG-CE2 4.12Å; L66-F70 WeakPolarHBondContact O-CD2 3.39Å; L66-F70 PolarHBondContact O-N 2.96Å; H67-F70 PolarHBondContact O-N 3.38Å; F70-R72 PolarHBondContact O-N 2.98Å; F70-R73 PolarHBondContact O-N 3.29Å; F70-F74 HydrophobicContact CB-CD2 4.32Å; F70-F74 AromaticContact CD1-CD2 3.79Å; F70-F74 HydrophobicContact CD1-CD2 3.79Å; F70-F74 AromaticContact CD1-CE2 3.54Å; F70-F74 HydrophobicContact CD1-CE2 3.54Å; F70-F74 HydrophobicContact CE1-CD2 4.48Å; F70-F74 AromaticContact CE1-CE2 3.8Å; F70-F74 HydrophobicContact CE1-CE2 3.8Å; F70-F74 HydrophobicContact CG-CD2 4.29Å; F70-F74 HydrophobicContact CG-CE2 4.2Å; F70-F74 WeakPolarHBondContact O-CD2 3.22Å; F70-F74 PolarHBondContact O-N 2.96Å |
| 71 | T | 94.3 | Very high | 92.7 | Very high | 56 Ų | 56 | 79.8 Ų | 79.8 | 34% | 0.344 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 175 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | M21 H67 K68 Q75 | M21-T71 WeakPolarHBondContact CE-OG1 3.42Å; H67-T71 PolarHBondContact CE1-OG1 3.2Å; H67-T71 WeakPolarHBondContact O-CB 3.09Å; H67-T71 PolarHBondContact O-N 2.87Å; H67-T71 PolarHBondContact O-OG1 3.17Å; K68-T71 PolarHBondContact O-N 3.22Å; T71-Q75 WeakPolarHBondContact O-CA 3.5Å; T71-Q75 WeakPolarHBondContact O-CB 3.18Å; T71-Q75 PolarHBondContact O-N 3.43Å |
| 72 | R | 95.8 | Very high | 91.5 | Very high | 182 Ų | 182 | 75.3 Ų | 75.3 | 69% | 0.687 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -70.5 | -44.5 | 178.2 | -175.2 | -177.4 | 66.3 | 122.8 | 0.6 | 112.4 | K68 D69 F70 | K68-R72 WeakPolarHBondContact O-CB 3.41Å; K68-R72 PolarHBondContact O-N 3.17Å; D69-R72 PolarHBondContact O-N 2.82Å; D69-R72 IonicContact OD1-NH2 2.91Å; D69-R72 PolarHBondContact OD1-NH2 2.91Å; F70-R72 PolarHBondContact O-N 2.98Å |
| 73 | R | 94.8 | Very high | 90.4 | Very high | 156 Ų | 156 | 72.9 Ų | 72.9 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70 | -31.3 | -175.9 | -73.6 | -176.8 | -163.7 | -163.2 | 12.2 | 113.6 | D69 F70 | D69-R73 WeakPolarHBondContact O-CB 3.33Å; D69-R73 WeakPolarHBondContact O-CG 3.47Å; D69-R73 PolarHBondContact O-N 2.87Å; D69-R73 IonicContact OD1-CZ 2.96Å; D69-R73 IonicContact OD1-NE 3.34Å; D69-R73 PolarHBondContact OD1-NE 3.25Å; D69-R73 IonicContact OD1-NH2 3.95Å; D69-R73 PolarHBondContact OD1-NH2 3.45Å; D69-R73 IonicContact OD2-CZ 3.91Å; D69-R73 IonicContact OD2-NE 2.78Å; D69-R73 PolarHBondContact OD2-NE 2.87Å; D69-R73 IonicContact OD2-NH1 3.51Å; D69-R73 IonicContact OD2-NH2 3.23Å; D69-R73 PolarHBondContact OD2-NH2 3.47Å; F70-R73 PolarHBondContact O-N 3.29Å |
| 74 | F | 91.5 | Very high | 89.4 | Confident | 65 Ų | 65 | 77.4 Ų | 77.4 | 29% | 0.285 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 25.1 | -176.2 | -58.7 | -69.6 | 0 | 0 | 0 | 112.1 | L17 F70 D76 I77 L78 | L17-F74 HydrophobicContact CD1-CB 3.97Å; L17-F74 HydrophobicContact CD1-CD1 3.95Å; L17-F74 HydrophobicContact CD1-CG 3.9Å; L17-F74 HydrophobicContact CD2-CD2 4.07Å; L17-F74 HydrophobicContact CD2-CE2 4.21Å; L17-F74 HydrophobicContact CD2-CG 4.25Å; L17-F74 HydrophobicContact CD2-CZ 4.49Å; F70-F74 HydrophobicContact CB-CD2 4.32Å; F70-F74 AromaticContact CD1-CD2 3.79Å; F70-F74 HydrophobicContact CD1-CD2 3.79Å; F70-F74 AromaticContact CD1-CE2 3.54Å; F70-F74 HydrophobicContact CD1-CE2 3.54Å; F70-F74 HydrophobicContact CE1-CD2 4.48Å; F70-F74 AromaticContact CE1-CE2 3.8Å; F70-F74 HydrophobicContact CE1-CE2 3.8Å; F70-F74 HydrophobicContact CG-CD2 4.29Å; F70-F74 HydrophobicContact CG-CE2 4.2Å; F70-F74 WeakPolarHBondContact O-CD2 3.22Å; F70-F74 PolarHBondContact O-N 2.96Å; F74-D76 VanDerWaalsContact C-OD1 3.25Å; F74-D76 WeakPolarHBondContact CA-OD1 3.38Å; F74-D76 PolarHBondContact O-N 3.03Å; F74-I77 HydrophobicContact CD1-CD1 4.02Å; F74-I77 PolarHBondContact O-N 3.12Å; F74-L78 HydrophobicContact CB-CD1 4.5Å; F74-L78 HydrophobicContact CB-CG 4.48Å; F74-L78 WeakPolarHBondContact O-CB 3.46Å; F74-L78 VanDerWaalsContact O-CG 3.22Å; F74-L78 WeakPolarHBondContact O-CG 3.36Å; F74-L78 PolarHBondContact O-N 3.07Å |
| 75 | Q | 91.3 | Very high | 88.3 | Confident | 128 Ų | 128 | 81.6 Ų | 81.6 | 60% | 0.598 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -57.5 | -41.4 | -178.7 | -172.9 | -132.9 | -41.6 | 0 | 0 | 111 | T71 L78 S79 | T71-Q75 WeakPolarHBondContact O-CA 3.5Å; T71-Q75 WeakPolarHBondContact O-CB 3.18Å; T71-Q75 PolarHBondContact O-N 3.43Å; Q75-L78 PolarHBondContact O-N 3.43Å; Q75-S79 WeakPolarHBondContact O-CB 3.23Å; Q75-S79 PolarHBondContact O-N 2.82Å; Q75-S79 PolarHBondContact O-OG 2.83Å |
| 76 | D | 88.4 | Confident | 86.9 | Confident | 98 Ų | 98 | 79.3 Ų | 79.3 | 52% | 0.524 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -53 | -56 | 174.8 | 60.2 | -28.6 | 0 | 0 | 0 | 111.4 | F74 L78 S79 M80 | F74-D76 VanDerWaalsContact C-OD1 3.25Å; F74-D76 WeakPolarHBondContact CA-OD1 3.38Å; F74-D76 PolarHBondContact O-N 3.03Å; D76-L78 PolarHBondContact O-N 2.97Å; D76-S79 PolarHBondContact O-N 3.48Å; D76-S79 PolarHBondContact O-OG 3.2Å; D76-S79 VanDerWaalsContact O-OG 3.11Å; D76-M80 WeakPolarHBondContact O-CB 3.22Å; D76-M80 PolarHBondContact O-N 3.45Å |
| 77 | I | 86.7 | Confident | 85.6 | Confident | 12 Ų | 12 | 81.1 Ų | 81.1 | 6% | 0.062 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.7 | -37.9 | -179.3 | -62.4 | 168.5 | 0 | 0 | 0 | 111.7 | R13 Q14 L17 F74 | R13-I77 HydrophobicContact CB-CD1 4.3Å; R13-I77 HydrophobicContact CB-CG2 3.83Å; Q14-I77 HydrophobicContact CB-CG2 4.13Å; L17-I77 HydrophobicContact CD1-CB 4.19Å; L17-I77 HydrophobicContact CD1-CD1 4.06Å; L17-I77 HydrophobicContact CD1-CG2 3.76Å; F74-I77 HydrophobicContact CD1-CD1 4.02Å; F74-I77 PolarHBondContact O-N 3.12Å |
| 78 | L | 85.8 | Confident | 84.5 | Confident | 52 Ų | 52 | 82.8 Ų | 82.8 | 27% | 0.272 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.6 | -36.4 | 179.2 | -71.5 | 172 | 0 | 0 | 0 | 111.9 | Q14 L17 F74 Q75 D76 | Q14-L78 PolarHBondContact NE2-O 2.88Å; L17-L78 HydrophobicContact CB-CD2 4.34Å; F74-L78 HydrophobicContact CB-CD1 4.5Å; F74-L78 HydrophobicContact CB-CG 4.48Å; F74-L78 WeakPolarHBondContact O-CB 3.46Å; F74-L78 VanDerWaalsContact O-CG 3.22Å; F74-L78 WeakPolarHBondContact O-CG 3.36Å; F74-L78 PolarHBondContact O-N 3.07Å; Q75-L78 PolarHBondContact O-N 3.43Å; D76-L78 PolarHBondContact O-N 2.97Å |
| 79 | S | 86.6 | Confident | 83.4 | Confident | 72 Ų | 72 | 77.6 Ų | 77.6 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -86.3 | -8.8 | -179.9 | 69.9 | 0 | 0 | 0 | 0 | 114.5 | Q75 D76 I81 | Q75-S79 WeakPolarHBondContact O-CB 3.23Å; Q75-S79 PolarHBondContact O-N 2.82Å; Q75-S79 PolarHBondContact O-OG 2.83Å; D76-S79 PolarHBondContact O-N 3.48Å; D76-S79 PolarHBondContact O-OG 3.2Å; D76-S79 VanDerWaalsContact O-OG 3.11Å; S79-I81 PolarHBondContact O-N 2.86Å |
| 80 | M | 83.6 | Confident | 82.6 | Confident | 52 Ų | 52 | 77 Ų | 77 | 26% | 0.256 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 125.8 | -176.4 | 172.6 | -173.8 | 74.8 | 0 | 0 | 110.5 | P10 Q14 D76 V82 | P10-M80 HydrophobicContact CB-CE 3.19Å; P10-M80 HydrophobicContact CB-SD 3.15Å; P10-M80 WeakPolarHBondContact CB-SD 3.48Å; P10-M80 HydrophobicContact CG-CE 4.5Å; P10-M80 HydrophobicContact CG-SD 4.27Å; P10-M80 VanDerWaalsContact O-CE 3.23Å; P10-M80 WeakPolarHBondContact O-CE 3.43Å; Q14-M80 HydrophobicContact CB-CE 4.2Å; Q14-M80 PolarHBondContact NE2-O 3.06Å; D76-M80 WeakPolarHBondContact O-CB 3.22Å; D76-M80 PolarHBondContact O-N 3.45Å; M80-V82 HydrophobicContact CE-CG2 4.39Å |
| 81 | I | 79.6 | Confident | 81.5 | Confident | 152 Ų | 152 | 78.4 Ų | 78.4 | 78% | 0.779 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -90.4 | 117.6 | 172.8 | -60.3 | 174.9 | 0 | 0 | 0 | 106.3 | S79 P83 | S79-I81 PolarHBondContact O-N 2.86Å; I81-P83 WeakPolarHBondContact O-CD 3.34Å |
| 82 | V | 72.9 | Confident | 80.2 | Confident | 25 Ų | 25 | 79.6 Ų | 79.6 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 119 | 171.6 | -173.1 | 0 | 0 | 0 | 0 | 106.9 | N11 M80 I87 | N11-V82 HydrophobicContact CB-CG2 4.47Å; N11-V82 VanDerWaalsContact CG-CG1 3.47Å; N11-V82 VanDerWaalsContact ND2-CG1 3.25Å; N11-V82 WeakPolarHBondContact ND2-CG1 3.43Å; N11-V82 WeakPolarHBondContact OD1-CG1 3.41Å; N11-V82 WeakPolarHBondContact OD1-CG2 3.46Å; M80-V82 HydrophobicContact CE-CG2 4.39Å; V82-I87 HydrophobicContact CB-CD1 4.19Å; V82-I87 HydrophobicContact CB-CG1 4.39Å; V82-I87 HydrophobicContact CG1-CD1 4Å; V82-I87 HydrophobicContact CG1-CG1 3.65Å |
| 83 | P | 73.5 | Confident | 79 | Confident | 62 Ų | 62 | 71.4 Ų | 71.4 | 40% | 0.403 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 144.2 | 174.8 | -22.5 | 34.1 | 0 | 0 | 0 | 110.8 | I81 W85 G86 | I81-P83 WeakPolarHBondContact O-CD 3.34Å; P83-W85 HydrophobicContact CB-CD2 4.49Å; P83-W85 HydrophobicContact CB-CG 4.13Å; P83-W85 PolarHBondContact O-N 3.48Å; P83-W85 VanDerWaalsContact O-N 3.14Å; P83-G86 PolarHBondContact O-N 3.37Å |
| 84 | D | 74.3 | Confident | 78 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.3 | -35.8 | -179.5 | -72 | -23.9 | 0 | 0 | 0 | 112 | G86 I87 N88 | D84-G86 VanDerWaalsContact C-N 3.25Å; D84-G86 PolarHBondContact O-N 3.18Å; D84-I87 CarbonylContact O-C 3.5Å; D84-I87 PolarHBondContact O-N 3.25Å; D84-N88 CarbonylContact O-C 3.56Å; D84-N88 PolarHBondContact O-N 3.33Å |
| 85 | W | 73.4 | Confident | 77.4 | Confident | 138 Ų | 138 | 74 Ų | 74 | 52% | 0.523 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63 | -28.6 | 177.1 | 71.2 | -103.7 | 0 | 0 | 0 | 113.4 | P83 I87 N88 P89 W125 | P83-W85 HydrophobicContact CB-CD2 4.49Å; P83-W85 HydrophobicContact CB-CG 4.13Å; P83-W85 PolarHBondContact O-N 3.48Å; P83-W85 VanDerWaalsContact O-N 3.14Å; W85-I87 VanDerWaalsContact C-N 3.3Å; W85-N88 CarbonylContact O-C 3.58Å; W85-P89 WeakPolarHBondContact O-CA 3.35Å; W85-P89 WeakPolarHBondContact O-CB 2.95Å; W85-P89 WeakPolarHBondContact O-CD 3.41Å; W85-W125 AromaticContact CE3-CH2 3.83Å; W85-W125 HydrophobicContact CE3-CH2 3.83Å; W85-W125 AromaticContact CE3-CZ2 3.96Å; W85-W125 HydrophobicContact CE3-CZ2 3.96Å; W85-W125 AromaticContact CZ3-CH2 3.56Å; W85-W125 HydrophobicContact CZ3-CH2 3.56Å; W85-W125 AromaticContact CZ3-CZ2 3.89Å; W85-W125 HydrophobicContact CZ3-CZ2 3.89Å; W85-W125 HydrophobicContact CZ3-CZ3 4.09Å |
| 86 | G | 69.5 | Low | 76.9 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 9% | 0.093 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.7 | -27.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P83 D84 W125 | P83-G86 PolarHBondContact O-N 3.37Å; D84-G86 VanDerWaalsContact C-N 3.25Å; D84-G86 PolarHBondContact O-N 3.18Å; G86-W125 PolarHBondContact O-NE1 3.01Å; G86-W125 VanDerWaalsContact O-NE1 3.12Å |
| 87 | I | 69.7 | Low | 76.8 | Confident | 87 Ų | 87 | 74.1 Ų | 74.1 | 45% | 0.446 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -89.8 | -36.8 | 177.6 | -57.2 | 177.5 | 0 | 0 | 0 | 110.9 | V82 D84 W85 N121 | V82-I87 HydrophobicContact CB-CD1 4.19Å; V82-I87 HydrophobicContact CB-CG1 4.39Å; V82-I87 HydrophobicContact CG1-CD1 4Å; V82-I87 HydrophobicContact CG1-CG1 3.65Å; D84-I87 CarbonylContact O-C 3.5Å; D84-I87 PolarHBondContact O-N 3.25Å; W85-I87 VanDerWaalsContact C-N 3.3Å; I87-N121 PolarHBondContact O-ND2 3.5Å |
| 88 | N | 74.8 | Confident | 76.8 | Confident | 69 Ų | 69 | 79.7 Ų | 79.7 | 37% | 0.369 | 42% | 0.421 | S | S | . | . | trans | -152.1 | 88.6 | -178.8 | -169 | -13.8 | 0 | 0 | 0 | 108.4 | D84 W85 L90 T91 | D84-N88 CarbonylContact O-C 3.56Å; D84-N88 PolarHBondContact O-N 3.33Å; W85-N88 CarbonylContact O-C 3.58Å; N88-L90 PolarHBondContact O-N 3.32Å; N88-L90 PolarHBondContact OD1-N 3.12Å; N88-T91 HydrophobicContact CB-CG2 4.35Å; N88-T91 WeakPolarHBondContact CB-OG1 3.39Å; N88-T91 VanDerWaalsContact CG-CG2 3.44Å; N88-T91 WeakPolarHBondContact ND2-CG2 3.44Å; N88-T91 PolarHBondContact ND2-OG1 2.87Å; N88-T91 PolarHBondContact O-N 3.43Å; N88-T91 PolarHBondContact O-OG1 2.96Å; N88-T91 VanDerWaalsContact O-OG1 3.06Å | ||
| 89 | P | 73.5 | Confident | 76.8 | Confident | 30 Ų | 30 | 79.9 Ų | 79.9 | 20% | 0.195 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -10.7 | -173.3 | 22.3 | -31.3 | 0 | 0 | 0 | 113.2 | W85 L117 W125 | W85-P89 WeakPolarHBondContact O-CA 3.35Å; W85-P89 WeakPolarHBondContact O-CB 2.95Å; W85-P89 WeakPolarHBondContact O-CD 3.41Å; P89-L117 HydrophobicContact CG-CD1 4.12Å; P89-L117 HydrophobicContact CG-CD2 3.75Å; P89-W125 HydrophobicContact CB-CH2 4.4Å; P89-W125 HydrophobicContact CB-CZ2 4.12Å; P89-W125 HydrophobicContact CG-CZ2 4.15Å |
| 90 | L | 79.1 | Confident | 76.7 | Confident | 23 Ų | 23 | 79.9 Ų | 79.9 | 12% | 0.12 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 7.1 | -173.7 | -58.6 | -177.4 | 0 | 0 | 0 | 113.9 | N88 L104 L107 Q108 L117 | N88-L90 PolarHBondContact O-N 3.32Å; N88-L90 PolarHBondContact OD1-N 3.12Å; L90-L104 HydrophobicContact CD2-CD2 4.21Å; L90-L107 HydrophobicContact CD2-CB 3.98Å; L90-Q108 HydrophobicContact CB-CG 3.93Å; L90-Q108 WeakPolarHBondContact O-CG 3.3Å; L90-Q108 PolarHBondContact O-NE2 3.31Å; L90-L117 HydrophobicContact CD1-CD1 3.42Å; L90-L117 VanDerWaalsContact CD1-CD1 3.42Å; L90-L117 HydrophobicContact CG-CD1 3.86Å |
| 91 | T | 71.3 | Confident | 76.9 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -91.1 | -15.9 | -173.5 | 26.6 | 0 | 0 | 0 | 0 | 117.9 | N88 | N88-T91 HydrophobicContact CB-CG2 4.35Å; N88-T91 WeakPolarHBondContact CB-OG1 3.39Å; N88-T91 VanDerWaalsContact CG-CG2 3.44Å; N88-T91 WeakPolarHBondContact ND2-CG2 3.44Å; N88-T91 PolarHBondContact ND2-OG1 2.87Å; N88-T91 PolarHBondContact O-N 3.43Å; N88-T91 PolarHBondContact O-OG1 2.96Å; N88-T91 VanDerWaalsContact O-OG1 3.06Å |
| 92 | N | 67.4 | Low | 77.2 | Confident | 80 Ų | 80 | 78.9 Ų | 78.9 | 43% | 0.428 | 41% | 0.412 | S | S | . | . | trans | -130.3 | 69.6 | -173 | -66.5 | -11.5 | 0 | 0 | 0 | 111.2 | D94 | N92-D94 VanDerWaalsContact C-N 3.28Å; N92-D94 PolarHBondContact O-N 2.96Å | ||
| 93 | S | 70.6 | Confident | 77.9 | Confident | 10 Ų | 10 | 83.3 Ų | 83.3 | 7% | 0.07 | 43% | 0.431 | C | S | . | . | trans | -68.6 | -27.6 | 174.9 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | D95 E96 Q101 | S93-D95 VanDerWaalsContact C-N 3.3Å; S93-D95 PolarHBondContact O-N 3.36Å; S93-E96 PolarHBondContact O-N 3.25Å; S93-Q101 VanDerWaalsContact O-CG 3.23Å; S93-Q101 WeakPolarHBondContact O-CG 3.15Å; S93-Q101 PolarHBondContact O-NE2 2.96Å | ||
| 94 | D | 74.4 | Confident | 78.6 | Confident | 133 Ų | 133 | 81.9 Ų | 81.9 | 71% | 0.711 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.8 | -164.7 | -62.1 | -3.9 | 0 | 0 | 0 | 114.1 | N92 Q101 | N92-D94 VanDerWaalsContact C-N 3.28Å; N92-D94 PolarHBondContact O-N 2.96Å; D94-Q101 PolarHBondContact O-NE2 3.37Å |
| 95 | D | 79.2 | Confident | 79.2 | Confident | 143 Ų | 143 | 81.6 Ų | 81.6 | 77% | 0.765 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -7.3 | -179.6 | -69 | -35.3 | 0 | 0 | 0 | 113.3 | S93 | S93-D95 VanDerWaalsContact C-N 3.3Å; S93-D95 PolarHBondContact O-N 3.36Å |
| 96 | E | 81 | Confident | 79.8 | Confident | 90 Ų | 90 | 81.9 Ų | 81.9 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -88.7 | 166.6 | -175.5 | -62.4 | -66.3 | 173.5 | 0 | 0 | 112.7 | S93 L100 Q101 L104 | S93-E96 PolarHBondContact O-N 3.25Å; E96-L100 HydrophobicContact CB-CB 4.15Å; E96-Q101 HydrophobicContact CB-CG 4.37Å; E96-Q101 WeakPolarHBondContact O-CG 3.43Å; E96-Q101 PolarHBondContact O-NE2 2.64Å; E96-L104 HydrophobicContact CB-CD1 4.26Å; E96-L104 HydrophobicContact CG-CD1 3.84Å |
| 97 | E | 86 | Confident | 80.7 | Confident | 139 Ų | 139 | 84.9 Ų | 84.9 | 65% | 0.65 | 44% | 0.438 | S | S | * | . | trans | -59.7 | 140.7 | 173.6 | -170.8 | 179.1 | 171.3 | 0 | 0 | 111 | S99 L100 Q101 | E97-S99 WeakPolarHBondContact CG-OG 3.33Å; E97-S99 PolarHBondContact O-N 2.98Å; E97-L100 HydrophobicContact CB-CD1 4.35Å; E97-L100 HydrophobicContact CB-CG 4.45Å; E97-L100 WeakPolarHBondContact O-CA 3.15Å; E97-L100 WeakPolarHBondContact O-CB 3.45Å; E97-L100 PolarHBondContact O-N 3.21Å; E97-Q101 WeakPolarHBondContact O-CG 3.35Å; E97-Q101 PolarHBondContact O-N 3.32Å | ||
| 98 | I | 86.5 | Confident | 81.5 | Confident | 129 Ų | 129 | 82.7 Ų | 82.7 | 66% | 0.662 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -48.4 | -39.6 | -175.8 | -66.6 | 172.8 | 0 | 0 | 0 | 112.6 | L100 Q101 E102 | I98-L100 VanDerWaalsContact C-N 3.35Å; I98-L100 PolarHBondContact O-N 3.41Å; I98-Q101 PolarHBondContact O-N 3.32Å; I98-E102 PolarHBondContact O-N 3.43Å |
| 99 | S | 85 | Confident | 81.9 | Confident | 56 Ų | 56 | 83.7 Ų | 83.7 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 176.1 | 49.8 | 0 | 0 | 0 | 0 | 112.9 | E97 | E97-S99 WeakPolarHBondContact CG-OG 3.33Å; E97-S99 PolarHBondContact O-N 2.98Å |
| 100 | L | 86.1 | Confident | 82.7 | Confident | 71 Ų | 71 | 85.2 Ų | 85.2 | 37% | 0.372 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -75.5 | -30.9 | 176.5 | -62.5 | 175.7 | 0 | 0 | 0 | 112 | E96 E97 I98 E102 E103 L104 | E96-L100 HydrophobicContact CB-CB 4.15Å; E97-L100 HydrophobicContact CB-CD1 4.35Å; E97-L100 HydrophobicContact CB-CG 4.45Å; E97-L100 WeakPolarHBondContact O-CA 3.15Å; E97-L100 WeakPolarHBondContact O-CB 3.45Å; E97-L100 PolarHBondContact O-N 3.21Å; I98-L100 VanDerWaalsContact C-N 3.35Å; I98-L100 PolarHBondContact O-N 3.41Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.38Å; L100-E103 PolarHBondContact O-N 3.13Å; L100-L104 WeakPolarHBondContact O-CB 3.25Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.37Å; L100-L104 PolarHBondContact O-N 2.86Å |
| 101 | Q | 87.1 | Confident | 83 | Confident | 52 Ų | 52 | 89.6 Ų | 89.6 | 24% | 0.243 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 179 | -55.9 | -162.8 | -16.5 | 0 | 0 | 111.8 | S93 D94 E96 E97 I98 L104 L105 | S93-Q101 VanDerWaalsContact O-CG 3.23Å; S93-Q101 WeakPolarHBondContact O-CG 3.15Å; S93-Q101 PolarHBondContact O-NE2 2.96Å; D94-Q101 PolarHBondContact O-NE2 3.37Å; E96-Q101 HydrophobicContact CB-CG 4.37Å; E96-Q101 WeakPolarHBondContact O-CG 3.43Å; E96-Q101 PolarHBondContact O-NE2 2.64Å; E97-Q101 WeakPolarHBondContact O-CG 3.35Å; E97-Q101 PolarHBondContact O-N 3.32Å; I98-Q101 PolarHBondContact O-N 3.32Å; Q101-L104 PolarHBondContact O-N 3.11Å; Q101-L105 WeakPolarHBondContact O-CB 2.92Å; Q101-L105 VanDerWaalsContact O-CG 3.24Å; Q101-L105 WeakPolarHBondContact O-CG 3.42Å; Q101-L105 PolarHBondContact O-N 3.01Å |
| 102 | E | 86.6 | Confident | 83.7 | Confident | 132 Ų | 132 | 92.4 Ų | 92.4 | 62% | 0.617 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.3 | -48.7 | 176.8 | -69.3 | -175 | 169.3 | 0 | 0 | 111.4 | I98 L100 L104 L105 E106 | I98-E102 PolarHBondContact O-N 3.43Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.38Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.37Å; E102-L105 PolarHBondContact O-N 2.82Å; E102-E106 PolarHBondContact O-N 2.83Å; E102-E106 VanDerWaalsContact O-N 3.08Å |
| 103 | E | 87.6 | Confident | 84.4 | Confident | 118 Ų | 118 | 90.2 Ų | 90.2 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.1 | -41.9 | 177.3 | -67 | -175.9 | -155.5 | 0 | 0 | 111.9 | L100 E106 L107 | L100-E103 PolarHBondContact O-N 3.13Å; E103-E106 PolarHBondContact O-N 3.12Å; E103-L107 VanDerWaalsContact O-CG 3.27Å; E103-L107 WeakPolarHBondContact O-CG 3.14Å; E103-L107 PolarHBondContact O-N 3.42Å |
| 104 | L | 87.6 | Confident | 85 | Confident | 32 Ų | 32 | 95 Ų | 95 | 17% | 0.168 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 177.8 | -74.8 | 172.2 | 0 | 0 | 0 | 112.2 | L90 E96 L100 Q101 E102 L107 Q108 | L90-L104 HydrophobicContact CD2-CD2 4.21Å; E96-L104 HydrophobicContact CB-CD1 4.26Å; E96-L104 HydrophobicContact CG-CD1 3.84Å; L100-L104 WeakPolarHBondContact O-CB 3.25Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.37Å; L100-L104 PolarHBondContact O-N 2.86Å; Q101-L104 PolarHBondContact O-N 3.11Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.37Å; L104-L107 PolarHBondContact O-N 3.02Å; L104-Q108 VanDerWaalsContact O-CB 3.31Å; L104-Q108 WeakPolarHBondContact O-CB 3.07Å; L104-Q108 WeakPolarHBondContact O-CG 2.84Å; L104-Q108 PolarHBondContact O-N 3.27Å |
| 105 | L | 86.4 | Confident | 85.3 | Confident | 96 Ų | 96 | 90.6 Ų | 90.6 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 175 | -74.9 | 168.5 | 0 | 0 | 0 | 111.5 | Q101 E102 Q108 S109 | Q101-L105 WeakPolarHBondContact O-CB 2.92Å; Q101-L105 VanDerWaalsContact O-CG 3.24Å; Q101-L105 WeakPolarHBondContact O-CG 3.42Å; Q101-L105 PolarHBondContact O-N 3.01Å; E102-L105 PolarHBondContact O-N 2.82Å; L105-Q108 PolarHBondContact O-N 2.89Å; L105-S109 PolarHBondContact O-N 3.14Å; L105-S109 VanDerWaalsContact O-N 3.1Å |
| 106 | E | 87.3 | Confident | 85.3 | Confident | 144 Ų | 144 | 88.2 Ų | 88.2 | 67% | 0.673 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.3 | -46.8 | 174.2 | -70.5 | -172.1 | 175.3 | 0 | 0 | 111.4 | E102 E103 Q108 S109 N110 | E102-E106 PolarHBondContact O-N 2.83Å; E102-E106 VanDerWaalsContact O-N 3.08Å; E103-E106 PolarHBondContact O-N 3.12Å; E106-Q108 PolarHBondContact O-N 2.98Å; E106-S109 WeakPolarHBondContact O-CB 2.98Å; E106-S109 PolarHBondContact O-N 3.36Å; E106-S109 VanDerWaalsContact O-N 3.08Å; E106-S109 PolarHBondContact O-OG 3.08Å; E106-N110 PolarHBondContact O-N 3.32Å |
| 107 | L | 88 | Confident | 85.1 | Confident | 72 Ų | 72 | 84.6 Ų | 84.6 | 38% | 0.377 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 177.9 | -68.7 | 172 | 0 | 0 | 0 | 112.5 | L90 E103 L104 S109 N110 L113 | L90-L107 HydrophobicContact CD2-CB 3.98Å; E103-L107 VanDerWaalsContact O-CG 3.27Å; E103-L107 WeakPolarHBondContact O-CG 3.14Å; E103-L107 PolarHBondContact O-N 3.42Å; L104-L107 PolarHBondContact O-N 3.02Å; L107-S109 PolarHBondContact O-N 3.04Å; L107-N110 VanDerWaalsContact O-CB 3.3Å; L107-N110 WeakPolarHBondContact O-CB 3.5Å; L107-N110 PolarHBondContact O-N 3.08Å; L107-N110 VanDerWaalsContact O-N 3.08Å; L107-L113 HydrophobicContact CD2-CD1 3.47Å; L107-L113 VanDerWaalsContact CD2-CD1 3.47Å |
| 108 | Q | 85.1 | Confident | 84.6 | Confident | 41 Ų | 41 | 82.8 Ų | 82.8 | 19% | 0.192 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.4 | -31.4 | 172.7 | -79.6 | 172.6 | 5.7 | 0 | 0 | 112.1 | L90 L104 L105 E106 N110 K114 | L90-Q108 HydrophobicContact CB-CG 3.93Å; L90-Q108 WeakPolarHBondContact O-CG 3.3Å; L90-Q108 PolarHBondContact O-NE2 3.31Å; L104-Q108 VanDerWaalsContact O-CB 3.31Å; L104-Q108 WeakPolarHBondContact O-CB 3.07Å; L104-Q108 WeakPolarHBondContact O-CG 2.84Å; L104-Q108 PolarHBondContact O-N 3.27Å; L105-Q108 PolarHBondContact O-N 2.89Å; E106-Q108 PolarHBondContact O-N 2.98Å; Q108-N110 VanDerWaalsContact C-N 3.26Å; Q108-N110 PolarHBondContact O-N 3.49Å; Q108-K114 WeakPolarHBondContact O-CD 3.46Å; Q108-K114 WeakPolarHBondContact O-CE 3.27Å; Q108-K114 PolarHBondContact O-NZ 3.12Å |
| 109 | S | 85.2 | Confident | 83.9 | Confident | 90 Ų | 90 | 83.8 Ų | 83.8 | 63% | 0.629 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -75.6 | -15.7 | 175.6 | 81.4 | 0 | 0 | 0 | 0 | 113.2 | L105 E106 L107 V111 | L105-S109 PolarHBondContact O-N 3.14Å; L105-S109 VanDerWaalsContact O-N 3.1Å; E106-S109 WeakPolarHBondContact O-CB 2.98Å; E106-S109 PolarHBondContact O-N 3.36Å; E106-S109 VanDerWaalsContact O-N 3.08Å; E106-S109 PolarHBondContact O-OG 3.08Å; L107-S109 PolarHBondContact O-N 3.04Å; S109-V111 PolarHBondContact O-N 3.46Å; S109-V111 VanDerWaalsContact O-N 3.14Å |
| 110 | N | 88.3 | Confident | 82.9 | Confident | 62 Ų | 62 | 82.4 Ų | 82.4 | 33% | 0.332 | 43% | 0.433 | S | S | . | . | trans | -76.8 | 102.9 | -177.9 | -170 | -38.3 | 0 | 0 | 0 | 111.9 | E106 L107 Q108 E112 L113 K114 | E106-N110 PolarHBondContact O-N 3.32Å; L107-N110 VanDerWaalsContact O-CB 3.3Å; L107-N110 WeakPolarHBondContact O-CB 3.5Å; L107-N110 PolarHBondContact O-N 3.08Å; L107-N110 VanDerWaalsContact O-N 3.08Å; Q108-N110 VanDerWaalsContact C-N 3.26Å; Q108-N110 PolarHBondContact O-N 3.49Å; N110-E112 VanDerWaalsContact C-N 3.33Å; N110-E112 PolarHBondContact O-N 2.95Å; N110-E112 WeakPolarHBondContact OD1-CB 3.33Å; N110-E112 PolarHBondContact OD1-N 3.32Å; N110-E112 VanDerWaalsContact OD1-N 3.08Å; N110-L113 HydrophobicContact CB-CB 4.02Å; N110-L113 HydrophobicContact CB-CD1 3.83Å; N110-L113 HydrophobicContact CB-CG 4.04Å; N110-L113 VanDerWaalsContact CG-CG 3.48Å; N110-L113 WeakPolarHBondContact ND2-CD1 3.49Å; N110-L113 PolarHBondContact O-N 2.74Å; N110-L113 PolarHBondContact OD1-N 3.14Å; N110-K114 PolarHBondContact O-N 2.69Å | ||
| 111 | V | 86.8 | Confident | 81.9 | Confident | 115 Ų | 115 | 81.3 Ų | 81.3 | 70% | 0.697 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.3 | -37.3 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | S109 K114 A115 | S109-V111 PolarHBondContact O-N 3.46Å; S109-V111 VanDerWaalsContact O-N 3.14Å; V111-K114 PolarHBondContact O-N 3.35Å; V111-A115 WeakPolarHBondContact O-CB 3.21Å; V111-A115 PolarHBondContact O-N 3.06Å |
| 112 | E | 85.9 | Confident | 80.7 | Confident | 135 Ų | 135 | 82.5 Ų | 82.5 | 63% | 0.631 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.5 | -44.9 | 178.8 | -174.1 | -176.4 | 164.3 | 0 | 0 | 110.8 | N110 A115 R116 | N110-E112 VanDerWaalsContact C-N 3.33Å; N110-E112 PolarHBondContact O-N 2.95Å; N110-E112 WeakPolarHBondContact OD1-CB 3.33Å; N110-E112 PolarHBondContact OD1-N 3.32Å; N110-E112 VanDerWaalsContact OD1-N 3.08Å; E112-A115 PolarHBondContact O-N 3.49Å; E112-R116 WeakPolarHBondContact O-CG 3.31Å; E112-R116 PolarHBondContact O-N 3.2Å |
| 113 | L | 82.8 | Confident | 79.7 | Confident | 35 Ų | 35 | 82.5 Ų | 82.5 | 18% | 0.183 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.8 | -69.8 | 179.2 | 0 | 0 | 0 | 111.7 | L107 N110 A115 R116 L117 | L107-L113 HydrophobicContact CD2-CD1 3.47Å; L107-L113 VanDerWaalsContact CD2-CD1 3.47Å; N110-L113 HydrophobicContact CB-CB 4.02Å; N110-L113 HydrophobicContact CB-CD1 3.83Å; N110-L113 HydrophobicContact CB-CG 4.04Å; N110-L113 VanDerWaalsContact CG-CG 3.48Å; N110-L113 WeakPolarHBondContact ND2-CD1 3.49Å; N110-L113 PolarHBondContact O-N 2.74Å; N110-L113 PolarHBondContact OD1-N 3.14Å; L113-A115 VanDerWaalsContact C-N 3.29Å; L113-A115 PolarHBondContact O-N 2.99Å; L113-R116 PolarHBondContact O-N 2.94Å; L113-R116 VanDerWaalsContact O-N 3.12Å; L113-L117 WeakPolarHBondContact O-CG 3.09Å; L113-L117 PolarHBondContact O-N 3.35Å |
| 114 | K | 81.9 | Confident | 78.7 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 48% | 0.478 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.4 | -41.4 | 173.9 | -83.6 | 179.6 | 161.6 | 165.7 | 0 | 112.4 | Q108 N110 V111 S118 | Q108-K114 WeakPolarHBondContact O-CD 3.46Å; Q108-K114 WeakPolarHBondContact O-CE 3.27Å; Q108-K114 PolarHBondContact O-NZ 3.12Å; N110-K114 PolarHBondContact O-N 2.69Å; V111-K114 PolarHBondContact O-N 3.35Å; K114-S118 WeakPolarHBondContact O-CB 3.3Å; K114-S118 PolarHBondContact O-N 3.08Å; K114-S118 PolarHBondContact O-OG 3.08Å |
| 115 | A | 81.9 | Confident | 77.7 | Confident | 41 Ų | 41 | 81.1 Ų | 81.1 | 34% | 0.339 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V111 E112 L113 S118 Q119 | V111-A115 WeakPolarHBondContact O-CB 3.21Å; V111-A115 PolarHBondContact O-N 3.06Å; E112-A115 PolarHBondContact O-N 3.49Å; L113-A115 VanDerWaalsContact C-N 3.29Å; L113-A115 PolarHBondContact O-N 2.99Å; A115-S118 WeakPolarHBondContact CA-OG 3.37Å; A115-S118 PolarHBondContact O-OG 3.45Å; A115-Q119 VanDerWaalsContact O-CG 3.28Å; A115-Q119 WeakPolarHBondContact O-CG 3.34Å; A115-Q119 PolarHBondContact O-N 2.8Å; A115-Q119 VanDerWaalsContact O-N 3.17Å |
| 116 | R | 78.8 | Confident | 76.7 | Confident | 92 Ų | 92 | 81.4 Ų | 81.4 | 35% | 0.347 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 176.5 | -71.3 | 176.2 | 66.7 | -166.5 | -2.3 | 112.4 | E112 L113 Q127 | E112-R116 WeakPolarHBondContact O-CG 3.31Å; E112-R116 PolarHBondContact O-N 3.2Å; L113-R116 PolarHBondContact O-N 2.94Å; L113-R116 VanDerWaalsContact O-N 3.12Å; R116-Q127 VanDerWaalsContact NH2-CD 3.3Å |
| 117 | L | 76.3 | Confident | 75.7 | Confident | 15 Ų | 15 | 77.1 Ų | 77.1 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 174.7 | -72.5 | 168.6 | 0 | 0 | 0 | 111.4 | P89 L90 L113 Q119 G120 N121 F124 | P89-L117 HydrophobicContact CG-CD1 4.12Å; P89-L117 HydrophobicContact CG-CD2 3.75Å; L90-L117 HydrophobicContact CD1-CD1 3.42Å; L90-L117 VanDerWaalsContact CD1-CD1 3.42Å; L90-L117 HydrophobicContact CG-CD1 3.86Å; L113-L117 WeakPolarHBondContact O-CG 3.09Å; L113-L117 PolarHBondContact O-N 3.35Å; L117-Q119 VanDerWaalsContact C-N 3.29Å; L117-Q119 PolarHBondContact O-N 3.43Å; L117-G120 CarbonylContact O-C 3.6Å; L117-G120 PolarHBondContact O-N 3.38Å; L117-N121 PolarHBondContact O-N 2.72Å; L117-N121 PolarHBondContact O-OD1 2.66Å; L117-F124 HydrophobicContact CD2-CB 3.92Å; L117-F124 HydrophobicContact CD2-CD1 3.66Å; L117-F124 HydrophobicContact CD2-CD2 3.65Å; L117-F124 HydrophobicContact CD2-CE1 4.04Å; L117-F124 HydrophobicContact CD2-CE2 4.03Å; L117-F124 HydrophobicContact CD2-CG 3.45Å; L117-F124 VanDerWaalsContact CD2-CG 3.45Å; L117-F124 HydrophobicContact CD2-CZ 4.21Å; L117-F124 HydrophobicContact CG-CD2 4.29Å |
| 118 | S | 74.8 | Confident | 74.5 | Confident | 101 Ų | 101 | 82.2 Ų | 82.2 | 71% | 0.706 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.6 | -21.9 | -180 | 70.4 | 0 | 0 | 0 | 0 | 114.2 | K114 A115 G120 | K114-S118 WeakPolarHBondContact O-CB 3.3Å; K114-S118 PolarHBondContact O-N 3.08Å; K114-S118 PolarHBondContact O-OG 3.08Å; A115-S118 WeakPolarHBondContact CA-OG 3.37Å; A115-S118 PolarHBondContact O-OG 3.45Å; S118-G120 PolarHBondContact O-N 3.36Å; S118-G120 VanDerWaalsContact O-N 3.12Å |
| 119 | Q | 71.8 | Confident | 73.6 | Confident | 149 Ų | 149 | 87.4 Ų | 87.4 | 70% | 0.696 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -4.4 | 169 | -75 | 171.2 | 20.1 | 0 | 0 | 113.3 | A115 L117 | A115-Q119 VanDerWaalsContact O-CG 3.28Å; A115-Q119 WeakPolarHBondContact O-CG 3.34Å; A115-Q119 PolarHBondContact O-N 2.8Å; A115-Q119 VanDerWaalsContact O-N 3.17Å; L117-Q119 VanDerWaalsContact C-N 3.29Å; L117-Q119 PolarHBondContact O-N 3.43Å |
| 120 | G | 65.2 | Low | 72.5 | Confident | 27 Ų | 27 | 84.7 Ų | 84.7 | 28% | 0.278 | 43% | 0.426 | S | S | . | . | trans | 121.7 | 120.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L117 S118 Q122 Q123 F124 | L117-G120 CarbonylContact O-C 3.6Å; L117-G120 PolarHBondContact O-N 3.38Å; S118-G120 PolarHBondContact O-N 3.36Å; S118-G120 VanDerWaalsContact O-N 3.12Å; G120-Q122 PolarHBondContact O-N 2.94Å; G120-Q123 PolarHBondContact O-N 3.5Å; G120-F124 PolarHBondContact O-N 3.1Å | ||
| 121 | N | 63.9 | Low | 71.2 | Confident | 49 Ų | 49 | 85.9 Ų | 85.9 | 26% | 0.262 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -51 | -29.7 | 177.5 | -55 | -27.2 | 0 | 0 | 0 | 112.4 | I87 L117 Q123 F124 W125 | I87-N121 PolarHBondContact O-ND2 3.5Å; L117-N121 PolarHBondContact O-N 2.72Å; L117-N121 PolarHBondContact O-OD1 2.66Å; N121-Q123 PolarHBondContact O-N 3.06Å; N121-F124 WeakPolarHBondContact O-CB 3.42Å; N121-F124 PolarHBondContact O-N 3.15Å; N121-F124 VanDerWaalsContact O-N 3.13Å; N121-W125 PolarHBondContact O-N 3.37Å |
| 122 | Q | 61.7 | Low | 70.2 | Confident | 77 Ų | 77 | 85 Ų | 85 | 36% | 0.36 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 175.2 | -59.9 | -167.5 | -46.7 | 0 | 0 | 112.5 | D9 G120 F124 L126 | D9-Q122 WeakPolarHBondContact OD2-CG 3.37Å; D9-Q122 PolarHBondContact OD2-NE2 3.12Å; G120-Q122 PolarHBondContact O-N 2.94Å; Q122-F124 PolarHBondContact O-N 3.45Å; Q122-L126 WeakPolarHBondContact O-CB 3.42Å; Q122-L126 WeakPolarHBondContact O-CD1 3.25Å; Q122-L126 WeakPolarHBondContact O-CG 3.27Å; Q122-L126 PolarHBondContact O-N 3.38Å |
| 123 | Q | 66.2 | Low | 69.1 | Low | 132 Ų | 132 | 83.4 Ų | 83.4 | 62% | 0.617 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -68.9 | -26.7 | 177.7 | -66.8 | -65 | -20.5 | 0 | 0 | 111.9 | G120 N121 Q127 | G120-Q123 PolarHBondContact O-N 3.5Å; N121-Q123 PolarHBondContact O-N 3.06Å; Q123-Q127 PolarHBondContact O-NE2 2.85Å |
| 124 | F | 66.4 | Low | 68 | Low | 41 Ų | 41 | 87.8 Ų | 87.8 | 18% | 0.18 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -72.5 | -54.3 | 174.1 | -176.8 | -96.6 | 0 | 0 | 0 | 111.4 | L117 G120 N121 Q122 L126 Q127 | L117-F124 HydrophobicContact CD2-CB 3.92Å; L117-F124 HydrophobicContact CD2-CD1 3.66Å; L117-F124 HydrophobicContact CD2-CD2 3.65Å; L117-F124 HydrophobicContact CD2-CE1 4.04Å; L117-F124 HydrophobicContact CD2-CE2 4.03Å; L117-F124 HydrophobicContact CD2-CG 3.45Å; L117-F124 VanDerWaalsContact CD2-CG 3.45Å; L117-F124 HydrophobicContact CD2-CZ 4.21Å; L117-F124 HydrophobicContact CG-CD2 4.29Å; G120-F124 PolarHBondContact O-N 3.1Å; N121-F124 WeakPolarHBondContact O-CB 3.42Å; N121-F124 PolarHBondContact O-N 3.15Å; N121-F124 VanDerWaalsContact O-N 3.13Å; Q122-F124 PolarHBondContact O-N 3.45Å; F124-L126 PolarHBondContact O-N 3.42Å; F124-Q127 WeakPolarHBondContact O-CB 3.33Å; F124-Q127 WeakPolarHBondContact O-CG 3.24Å; F124-Q127 PolarHBondContact O-N 2.98Å |
| 125 | W | 67 | Low | 67 | Low | 80 Ų | 80 | 89.3 Ų | 89.3 | 30% | 0.303 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.8 | -27.2 | -177 | -63.7 | 122.7 | 0 | 0 | 0 | 113.9 | W85 G86 P89 N121 Q127 V130 | W85-W125 AromaticContact CE3-CH2 3.83Å; W85-W125 HydrophobicContact CE3-CH2 3.83Å; W85-W125 AromaticContact CE3-CZ2 3.96Å; W85-W125 HydrophobicContact CE3-CZ2 3.96Å; W85-W125 AromaticContact CZ3-CH2 3.56Å; W85-W125 HydrophobicContact CZ3-CH2 3.56Å; W85-W125 AromaticContact CZ3-CZ2 3.89Å; W85-W125 HydrophobicContact CZ3-CZ2 3.89Å; W85-W125 HydrophobicContact CZ3-CZ3 4.09Å; G86-W125 PolarHBondContact O-NE1 3.01Å; G86-W125 VanDerWaalsContact O-NE1 3.12Å; P89-W125 HydrophobicContact CB-CH2 4.4Å; P89-W125 HydrophobicContact CB-CZ2 4.12Å; P89-W125 HydrophobicContact CG-CZ2 4.15Å; N121-W125 PolarHBondContact O-N 3.37Å; W125-Q127 PolarHBondContact O-N 3.42Å; W125-V130 HydrophobicContact CE3-CG1 3.58Å; W125-V130 HydrophobicContact CZ3-CG1 3.93Å |
| 126 | L | 66.1 | Low | 66.2 | Low | 102 Ų | 102 | 90.8 Ų | 90.8 | 53% | 0.534 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 2.6 | 177.5 | -68.3 | 171.9 | 0 | 0 | 0 | 114 | Q122 F124 K128 | Q122-L126 WeakPolarHBondContact O-CB 3.42Å; Q122-L126 WeakPolarHBondContact O-CD1 3.25Å; Q122-L126 WeakPolarHBondContact O-CG 3.27Å; Q122-L126 PolarHBondContact O-N 3.38Å; F124-L126 PolarHBondContact O-N 3.42Å; L126-K128 PolarHBondContact O-N 3.07Å |
| 127 | Q | 66.5 | Low | 65.3 | Low | 53 Ų | 53 | 94.9 Ų | 94.9 | 25% | 0.248 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -65.1 | 130.5 | 172.7 | -71.2 | 169.9 | 31.3 | 0 | 0 | 109.7 | R116 Q123 F124 W125 E129 V130 L131 | R116-Q127 VanDerWaalsContact NH2-CD 3.3Å; Q123-Q127 PolarHBondContact O-NE2 2.85Å; F124-Q127 WeakPolarHBondContact O-CB 3.33Å; F124-Q127 WeakPolarHBondContact O-CG 3.24Å; F124-Q127 PolarHBondContact O-N 2.98Å; W125-Q127 PolarHBondContact O-N 3.42Å; Q127-E129 PolarHBondContact O-N 3.44Å; Q127-E129 VanDerWaalsContact O-N 3.08Å; Q127-V130 HydrophobicContact CB-CG2 4.08Å; Q127-V130 PolarHBondContact O-N 3.26Å; Q127-L131 PolarHBondContact O-N 3.39Å |
| 128 | K | 63 | Low | 64 | Low | 180 Ų | 180 | 96.7 Ų | 96.7 | 78% | 0.783 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -51.3 | -37.5 | -177.7 | -76.4 | -174.4 | 176.1 | -178.6 | 0 | 112.8 | L126 L131 V132 | L126-K128 PolarHBondContact O-N 3.07Å; K128-L131 PolarHBondContact O-N 3.33Å; K128-V132 VanDerWaalsContact O-CG2 3.3Å; K128-V132 WeakPolarHBondContact O-CG2 3.46Å; K128-V132 PolarHBondContact O-N 3.35Å; K128-V132 VanDerWaalsContact O-N 3.12Å |
| 129 | E | 64.9 | Low | 62.3 | Low | 150 Ų | 150 | 96.2 Ų | 96.2 | 70% | 0.701 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.1 | -39.8 | -179 | -68.3 | 167.5 | -173 | 0 | 0 | 111.8 | Q127 V132 L133 | Q127-E129 PolarHBondContact O-N 3.44Å; Q127-E129 VanDerWaalsContact O-N 3.08Å; E129-V132 PolarHBondContact O-N 3.3Å; E129-L133 WeakPolarHBondContact O-CG 3.38Å; E129-L133 PolarHBondContact O-N 3.08Å; E129-L133 VanDerWaalsContact O-N 3.12Å |
| 130 | V | 63.3 | Low | 60.7 | Low | 32 Ų | 32 | 104.1 Ų | 104.1 | 19% | 0.194 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | W125 Q127 V132 L133 H134 | W125-V130 HydrophobicContact CE3-CG1 3.58Å; W125-V130 HydrophobicContact CZ3-CG1 3.93Å; Q127-V130 HydrophobicContact CB-CG2 4.08Å; Q127-V130 PolarHBondContact O-N 3.26Å; V130-V132 VanDerWaalsContact C-N 3.34Å; V130-V132 PolarHBondContact O-N 3.03Å; V130-L133 PolarHBondContact O-N 2.93Å; V130-H134 WeakPolarHBondContact O-CB 3.23Å; V130-H134 PolarHBondContact O-N 3.22Å |
| 131 | L | 60.7 | Low | 60.4 | Low | 87 Ų | 87 | 108 Ų | 108 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.3 | -80.7 | 158.7 | 0 | 0 | 0 | 112.5 | Q127 K128 H134 L135 | Q127-L131 PolarHBondContact O-N 3.39Å; K128-L131 PolarHBondContact O-N 3.33Å; L131-H134 PolarHBondContact O-N 3.02Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 3.28Å |
| 132 | V | 65.9 | Low | 60.2 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 59% | 0.588 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.9 | -43.6 | 177.7 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | K128 E129 V130 L135 A136 | K128-V132 VanDerWaalsContact O-CG2 3.3Å; K128-V132 WeakPolarHBondContact O-CG2 3.46Å; K128-V132 PolarHBondContact O-N 3.35Å; K128-V132 VanDerWaalsContact O-N 3.12Å; E129-V132 PolarHBondContact O-N 3.3Å; V130-V132 VanDerWaalsContact C-N 3.34Å; V130-V132 PolarHBondContact O-N 3.03Å; V132-L135 PolarHBondContact O-N 3.48Å; V132-A136 WeakPolarHBondContact O-CB 3.4Å; V132-A136 PolarHBondContact O-N 2.79Å |
| 133 | L | 61.8 | Low | 60.2 | Low | 102 Ų | 102 | 112.9 Ų | 112.9 | 53% | 0.534 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.5 | -44 | 176.7 | -68 | 171.8 | 0 | 0 | 0 | 111.4 | E129 V130 L135 A136 Y137 | E129-L133 WeakPolarHBondContact O-CG 3.38Å; E129-L133 PolarHBondContact O-N 3.08Å; E129-L133 VanDerWaalsContact O-N 3.12Å; V130-L133 PolarHBondContact O-N 2.93Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 3.4Å; L133-A136 PolarHBondContact O-N 3.26Å; L133-A136 VanDerWaalsContact O-N 3.15Å; L133-Y137 HydrophobicContact CD2-CE2 4.07Å; L133-Y137 VanDerWaalsContact O-CD2 3.27Å; L133-Y137 WeakPolarHBondContact O-CD2 3.39Å; L133-Y137 PolarHBondContact O-N 2.98Å |
| 134 | H | 59.3 | Low | 59.8 | Low | 126 Ų | 126 | 111.8 Ų | 111.8 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.3 | -41.7 | 177.5 | -172.2 | -72.1 | 0 | 0 | 0 | 112.3 | V130 L131 A136 G138 | V130-H134 WeakPolarHBondContact O-CB 3.23Å; V130-H134 PolarHBondContact O-N 3.22Å; L131-H134 PolarHBondContact O-N 3.02Å; H134-A136 VanDerWaalsContact C-N 3.34Å; H134-G138 WeakPolarHBondContact O-CA 3.47Å; H134-G138 PolarHBondContact O-N 2.85Å |
| 135 | L | 61.5 | Low | 59.4 | Low | 142 Ų | 142 | 116.3 Ų | 116.3 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.3 | -29.3 | 177.2 | -71.1 | 170.7 | 0 | 0 | 0 | 113 | L131 V132 L133 | L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 3.28Å; V132-L135 PolarHBondContact O-N 3.48Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 3.4Å |
| 136 | A | 65.6 | Low | 58.9 | Low | 73 Ų | 73 | 118.7 Ų | 118.7 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.5 | -31.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V132 L133 H134 | V132-A136 WeakPolarHBondContact O-CB 3.4Å; V132-A136 PolarHBondContact O-N 2.79Å; L133-A136 PolarHBondContact O-N 3.26Å; L133-A136 VanDerWaalsContact O-N 3.15Å; H134-A136 VanDerWaalsContact C-N 3.34Å |
| 137 | Y | 59.3 | Low | 58.4 | Low | 178 Ų | 178 | 119.9 Ų | 119.9 | 70% | 0.698 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -109.2 | -8.9 | -174.1 | -68.7 | -78.9 | 0 | 0 | 0 | 114.9 | L133 | L133-Y137 HydrophobicContact CD2-CE2 4.07Å; L133-Y137 VanDerWaalsContact O-CD2 3.27Å; L133-Y137 WeakPolarHBondContact O-CD2 3.39Å; L133-Y137 PolarHBondContact O-N 2.98Å |
| 138 | G | 49.2 | Very low | 57.7 | Low | 52 Ų | 52 | 125 Ų | 125 | 54% | 0.536 | 64% | 0.644 | S | S | . | * | trans | -98.4 | 28.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | H134 | H134-G138 WeakPolarHBondContact O-CA 3.47Å; H134-G138 PolarHBondContact O-N 2.85Å | ||
| 139 | A | 38.8 | Very low | 57.3 | Low | 92 Ų | 92 | 120.4 Ų | 120.4 | 76% | 0.76 | 63% | 0.632 | S | S | * | * | trans | -101.9 | 78.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 140 | W | 37.5 | Very low | 56.6 | Low | 314 Ų | 314 | 117.7 Ų | 117.7 | 100% | 1.189 | 63% | 0.626 | S | S | * | * | trans | -129.5 | 0 | 163.6 | -67.2 | 101 | 0 | 0 | 0 | 109.5 |
Retrieved 140 of 140 residues in 39.1 ms
(Link to these results)