| 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 | 37.5 | Very low | 49.5 | Very low | 168 Ų | 168 | 82.8 Ų | 82.8 | 83% | 0.828 | 46% | 0.455 | S | S | * | . | 0 | -49.7 | 0 | -68.6 | -174.3 | 177.4 | 0 | 0 | 112.2 | A3 S4 | M1-A3 PolarHBondContact O-N 3.5Å; M1-S4 PolarHBondContact O-N 2.96Å; M1-S4 PolarHBondContact O-OG 2.75Å | |||
| 2 | S | 38.7 | Very low | 50.8 | Low | 77 Ų | 77 | 78.8 Ų | 78.8 | 54% | 0.538 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -48.9 | -51.5 | 176.2 | 49 | 0 | 0 | 0 | 0 | 113.8 | S4 F5 D6 K53 | S2-S4 VanDerWaalsContact C-N 3.34Å; S2-S4 PolarHBondContact O-N 2.96Å; S2-F5 PolarHBondContact O-N 3.14Å; S2-D6 VanDerWaalsContact O-OD2 3.06Å; S2-K53 PolarHBondContact O-NZ 2.9Å |
| 3 | A | 41.8 | Very low | 52.7 | Low | 65 Ų | 65 | 74.6 Ų | 74.6 | 54% | 0.537 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.5 | -23.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | M1 | M1-A3 PolarHBondContact O-N 3.5Å |
| 4 | S | 51.7 | Low | 54.8 | Low | 37 Ų | 37 | 69.4 Ų | 69.4 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -78.6 | -37.9 | 179.9 | 48 | 0 | 0 | 0 | 0 | 111.9 | M1 S2 D6 Q7 I8 | M1-S4 PolarHBondContact O-N 2.96Å; M1-S4 PolarHBondContact O-OG 2.75Å; S2-S4 VanDerWaalsContact C-N 3.34Å; S2-S4 PolarHBondContact O-N 2.96Å; S4-D6 VanDerWaalsContact C-N 3.31Å; S4-D6 PolarHBondContact O-N 2.96Å; S4-Q7 PolarHBondContact O-N 3.48Å; S4-I8 WeakPolarHBondContact O-CB 3.41Å; S4-I8 VanDerWaalsContact O-CD1 3.29Å; S4-I8 WeakPolarHBondContact O-CD1 3.45Å; S4-I8 VanDerWaalsContact O-CG1 3.23Å; S4-I8 WeakPolarHBondContact O-CG1 3.45Å; S4-I8 PolarHBondContact O-N 3.27Å |
| 5 | F | 55 | Low | 56.7 | Low | 13 Ų | 13 | 68.2 Ų | 68.2 | 6% | 0.057 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.7 | -46 | 174.6 | -108.1 | -80.6 | 0 | 0 | 0 | 111.9 | S2 Q7 I8 F9 K53 C56 F112 V115 F116 | S2-F5 PolarHBondContact O-N 3.14Å; F5-Q7 PolarHBondContact O-N 2.64Å; F5-I8 PolarHBondContact O-N 2.81Å; F5-F9 AromaticContact CD1-CD2 3.88Å; F5-F9 HydrophobicContact CD1-CD2 3.88Å; F5-F9 AromaticContact CD1-CE2 3.78Å; F5-F9 HydrophobicContact CD1-CE2 3.78Å; F5-F9 HydrophobicContact CE1-CD2 4.31Å; F5-F9 AromaticContact CE1-CE2 3.76Å; F5-F9 HydrophobicContact CE1-CE2 3.76Å; F5-F9 PolarHBondContact O-N 3.26Å; F5-K53 HydrophobicContact CB-CD 4.19Å; F5-K53 HydrophobicContact CB-CG 4.4Å; F5-K53 HydrophobicContact CD1-CB 4.5Å; F5-K53 HydrophobicContact CD1-CG 4.33Å; F5-K53 HydrophobicContact CD2-CG 4.28Å; F5-K53 HydrophobicContact CG-CD 4.42Å; F5-K53 HydrophobicContact CG-CG 4.1Å; F5-C56 HydrophobicContact CE2-CB 3.96Å; F5-C56 HydrophobicContact CZ-CB 3.77Å; F5-F112 AromaticContact CE1-CE1 4Å; F5-F112 HydrophobicContact CE1-CE1 4Å; F5-F112 HydrophobicContact CZ-CD1 4.36Å; F5-F112 AromaticContact CZ-CE1 3.93Å; F5-F112 HydrophobicContact CZ-CE1 3.93Å; F5-V115 HydrophobicContact CD2-CG1 3.96Å; F5-V115 HydrophobicContact CD2-CG2 4.39Å; F5-V115 HydrophobicContact CE2-CG1 3.86Å; F5-F116 AromaticContact CE2-CE2 3.71Å; F5-F116 HydrophobicContact CE2-CE2 3.71Å; F5-F116 AromaticContact CE2-CZ 3.97Å; F5-F116 HydrophobicContact CE2-CZ 3.97Å; F5-F116 AromaticContact CZ-CE2 3.92Å; F5-F116 HydrophobicContact CZ-CE2 3.92Å |
| 6 | D | 52.1 | Low | 58.4 | Low | 82 Ų | 82 | 71.3 Ų | 71.3 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.4 | -32.9 | -172.7 | -57.4 | -36.8 | 0 | 0 | 0 | 112.2 | S2 S4 H10 K53 | S2-D6 VanDerWaalsContact O-OD2 3.06Å; S4-D6 VanDerWaalsContact C-N 3.31Å; S4-D6 PolarHBondContact O-N 2.96Å; D6-H10 WeakPolarHBondContact O-CB 3.33Å; D6-H10 PolarHBondContact O-CD2 2.9Å; D6-H10 VanDerWaalsContact O-CD2 3.3Å; D6-K53 IonicContact OD1-NZ 2.75Å; D6-K53 PolarHBondContact OD1-NZ 2.89Å; D6-K53 IonicContact OD2-NZ 3.77Å; D6-K53 PolarHBondContact OD2-NZ 3.14Å |
| 7 | Q | 51.6 | Low | 60.1 | Low | 154 Ų | 154 | 67.6 Ų | 67.6 | 72% | 0.72 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -74.1 | -33.2 | 174 | -73.2 | -174.3 | -31.6 | 0 | 0 | 113.3 | S4 F5 | S4-Q7 PolarHBondContact O-N 3.48Å; F5-Q7 PolarHBondContact O-N 2.64Å |
| 8 | I | 53.2 | Low | 61.6 | Low | 33 Ų | 33 | 63.8 Ų | 63.8 | 17% | 0.169 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -81.7 | -35.5 | -170.8 | -72 | 165.2 | 0 | 0 | 0 | 112.7 | S4 F5 C111 L114 V115 | S4-I8 WeakPolarHBondContact O-CB 3.41Å; S4-I8 VanDerWaalsContact O-CD1 3.29Å; S4-I8 WeakPolarHBondContact O-CD1 3.45Å; S4-I8 VanDerWaalsContact O-CG1 3.23Å; S4-I8 WeakPolarHBondContact O-CG1 3.45Å; S4-I8 PolarHBondContact O-N 3.27Å; F5-I8 PolarHBondContact O-N 2.81Å; I8-C111 HydrophobicContact CG2-CB 3.5Å; I8-L114 HydrophobicContact CD1-CB 3.63Å; I8-L114 HydrophobicContact CD1-CD1 4.46Å; I8-L114 HydrophobicContact CG1-CB 4.48Å; I8-L114 HydrophobicContact CG1-CD1 4.47Å; I8-L114 HydrophobicContact CG2-CD1 4.41Å; I8-V115 HydrophobicContact CD1-CG2 3.62Å |
| 9 | F | 58.5 | Low | 62.9 | Low | 13 Ų | 13 | 64.4 Ų | 64.4 | 6% | 0.057 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -88.8 | -2.1 | 178.7 | -76.7 | -83.1 | 0 | 0 | 0 | 114.4 | F5 T11 L13 L49 C111 F112 M131 | F5-F9 AromaticContact CD1-CD2 3.88Å; F5-F9 HydrophobicContact CD1-CD2 3.88Å; F5-F9 AromaticContact CD1-CE2 3.78Å; F5-F9 HydrophobicContact CD1-CE2 3.78Å; F5-F9 HydrophobicContact CE1-CD2 4.31Å; F5-F9 AromaticContact CE1-CE2 3.76Å; F5-F9 HydrophobicContact CE1-CE2 3.76Å; F5-F9 PolarHBondContact O-N 3.26Å; F9-T11 PolarHBondContact O-N 2.88Å; F9-L13 HydrophobicContact CD1-CD2 4.1Å; F9-L13 HydrophobicContact CE1-CD2 4.13Å; F9-L49 HydrophobicContact CB-CD1 3.95Å; F9-L49 HydrophobicContact CB-CD2 3.84Å; F9-L49 HydrophobicContact CD1-CD2 3.6Å; F9-L49 HydrophobicContact CD2-CD2 4.39Å; F9-L49 HydrophobicContact CE1-CD2 4.24Å; F9-L49 HydrophobicContact CG-CD2 3.68Å; F9-C111 HydrophobicContact CE1-CB 3.97Å; F9-C111 HydrophobicContact CE2-CB 4.13Å; F9-C111 HydrophobicContact CZ-CB 3.74Å; F9-F112 HydrophobicContact CZ-CE1 4.35Å; F9-F112 HydrophobicContact CZ-CE2 4.42Å; F9-F112 HydrophobicContact CZ-CZ 4.26Å; F9-M131 HydrophobicContact CE1-CE 4.27Å |
| 10 | H | 52.6 | Low | 64.1 | Low | 162 Ų | 162 | 67 Ų | 67 | 75% | 0.75 | 36% | 0.362 | S | S | * | . | trans | -68.3 | -2.6 | -174.4 | -135.1 | -53.1 | 0 | 0 | 0 | 115.2 | D6 G12 | D6-H10 WeakPolarHBondContact O-CB 3.33Å; D6-H10 PolarHBondContact O-CD2 2.9Å; D6-H10 VanDerWaalsContact O-CD2 3.3Å; H10-G12 VanDerWaalsContact C-N 3.29Å; H10-G12 PolarHBondContact O-N 2.87Å | ||
| 11 | T | 52.1 | Low | 65.3 | Low | 107 Ų | 107 | 64.5 Ų | 64.5 | 66% | 0.656 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -85.4 | 21.7 | -168.3 | 52.5 | 0 | 0 | 0 | 0 | 114.9 | F9 L13 | F9-T11 PolarHBondContact O-N 2.88Å; T11-L13 PolarHBondContact O-N 2.73Å |
| 12 | G | 65.5 | Low | 67.7 | Low | 34 Ų | 34 | 56.6 Ų | 56.6 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 65.7 | 17.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H10 L14 D15 | H10-G12 VanDerWaalsContact C-N 3.29Å; H10-G12 PolarHBondContact O-N 2.87Å; G12-L14 PolarHBondContact O-N 3.29Å; G12-L14 VanDerWaalsContact O-N 3.11Å; G12-D15 VanDerWaalsContact CA-OD2 3.29Å; G12-D15 WeakPolarHBondContact CA-OD2 3.48Å; G12-D15 WeakPolarHBondContact O-CB 3.49Å; G12-D15 PolarHBondContact O-N 2.81Å |
| 13 | L | 75.3 | Confident | 70 | Confident | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.7 | -172 | -175.3 | 68.9 | 0 | 0 | 0 | 113.6 | F9 T11 P17 K107 V108 | F9-L13 HydrophobicContact CD1-CD2 4.1Å; F9-L13 HydrophobicContact CE1-CD2 4.13Å; T11-L13 PolarHBondContact O-N 2.73Å; L13-P17 WeakPolarHBondContact O-CD 3.47Å; L13-K107 HydrophobicContact CD1-CB 3.69Å; L13-K107 HydrophobicContact CD1-CD 3.69Å; L13-K107 HydrophobicContact CD1-CG 4.34Å; L13-V108 HydrophobicContact CD2-CG2 3.84Å |
| 14 | L | 82.5 | Confident | 72.1 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -5.8 | -177.7 | -56.9 | -176.4 | 0 | 0 | 0 | 113.5 | G12 C18 V45 T48 L49 I103 M131 M135 | G12-L14 PolarHBondContact O-N 3.29Å; G12-L14 VanDerWaalsContact O-N 3.11Å; L14-C18 WeakPolarHBondContact O-CB 3.31Å; L14-C18 PolarHBondContact O-N 3.3Å; L14-V45 HydrophobicContact CB-CG1 4.03Å; L14-V45 HydrophobicContact CB-CG2 4Å; L14-V45 HydrophobicContact CD1-CG1 4.34Å; L14-T48 HydrophobicContact CD1-CG2 4.49Å; L14-L49 HydrophobicContact CD1-CD1 4.5Å; L14-L49 HydrophobicContact CD1-CD2 3.82Å; L14-L49 HydrophobicContact CD1-CG 3.91Å; L14-I103 HydrophobicContact CD2-CD1 3.86Å; L14-I103 HydrophobicContact CD2-CG1 4.09Å; L14-I103 HydrophobicContact CD2-CG2 3.98Å; L14-M131 HydrophobicContact CD1-CE 3.77Å; L14-M131 HydrophobicContact CD2-CE 3.95Å; L14-M131 HydrophobicContact CG-CE 4.38Å; L14-M135 HydrophobicContact CB-CE 4.24Å; L14-M135 HydrophobicContact CB-SD 4.18Å; L14-M135 HydrophobicContact CD2-CE 4.32Å |
| 15 | D | 82.7 | Confident | 73.6 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | -176.4 | -84.6 | -58.8 | 0 | 0 | 0 | 113.3 | G12 H19 K41 | G12-D15 VanDerWaalsContact CA-OD2 3.29Å; G12-D15 WeakPolarHBondContact CA-OD2 3.48Å; G12-D15 WeakPolarHBondContact O-CB 3.49Å; G12-D15 PolarHBondContact O-N 2.81Å; D15-H19 PolarHBondContact O-N 3.3Å; D15-K41 WeakPolarHBondContact O-CE 3.36Å; D15-K41 PolarHBondContact O-NZ 3.11Å; D15-K41 WeakPolarHBondContact OD1-CD 3.26Å; D15-K41 WeakPolarHBondContact OD1-CE 3.31Å; D15-K41 IonicContact OD1-NZ 3.77Å; D15-K41 PolarHBondContact OD1-NZ 2.96Å |
| 16 | L | 84.4 | Confident | 74.9 | Confident | 117 Ų | 117 | 53.8 Ų | 53.8 | 61% | 0.613 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -73.8 | -46.2 | 176.1 | 179.2 | 63.5 | 0 | 0 | 0 | 111.5 | C18 H19 R20 | L16-C18 VanDerWaalsContact C-N 3.34Å; L16-C18 PolarHBondContact O-N 2.99Å; L16-H19 PolarHBondContact O-N 2.96Å; L16-R20 HydrophobicContact CD1-CG 4.42Å; L16-R20 PolarHBondContact O-N 2.78Å |
| 17 | P | 86.1 | Confident | 76.3 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.3 | -42.6 | 171.1 | -28.5 | 35.4 | 0 | 0 | 0 | 114 | L13 H19 R20 L21 I103 M135 | L13-P17 WeakPolarHBondContact O-CD 3.47Å; P17-H19 VanDerWaalsContact C-N 3.3Å; P17-H19 PolarHBondContact O-N 3.4Å; P17-R20 PolarHBondContact O-N 2.96Å; P17-L21 WeakPolarHBondContact O-CB 3.24Å; P17-L21 VanDerWaalsContact O-CG 3.31Å; P17-L21 WeakPolarHBondContact O-CG 3.33Å; P17-L21 PolarHBondContact O-N 3.12Å; P17-I103 HydrophobicContact CB-CG1 3.78Å; P17-I103 HydrophobicContact CG-CG1 4.03Å; P17-M135 HydrophobicContact CB-CE 3.73Å |
| 18 | C | 87.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | L14 L16 L22 V45 M135 | L14-C18 WeakPolarHBondContact O-CB 3.31Å; L14-C18 PolarHBondContact O-N 3.3Å; L16-C18 VanDerWaalsContact C-N 3.34Å; L16-C18 PolarHBondContact O-N 2.99Å; C18-L22 WeakPolarHBondContact O-CB 3.48Å; C18-L22 PolarHBondContact O-N 2.88Å; C18-L22 VanDerWaalsContact O-N 3.14Å; C18-V45 HydrophobicContact CB-CG2 4.43Å; C18-M135 HydrophobicContact CB-CE 4.47Å; C18-M135 HydrophobicContact CB-CG 4.48Å; C18-M135 HydrophobicContact CB-SD 3.69Å |
| 19 | H | 87.2 | Confident | 78.5 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 35% | 0.347 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 176 | -160.9 | -84.1 | 0 | 0 | 0 | 112.3 | D15 L16 P17 L22 E23 | D15-H19 PolarHBondContact O-N 3.3Å; L16-H19 PolarHBondContact O-N 2.96Å; P17-H19 VanDerWaalsContact C-N 3.3Å; P17-H19 PolarHBondContact O-N 3.4Å; H19-L22 WeakPolarHBondContact O-CB 3.22Å; H19-L22 PolarHBondContact O-N 3.17Å; H19-E23 IonicContact CE1-OE1 2.65Å; H19-E23 PolarHBondContact CE1-OE1 3.16Å; H19-E23 VanDerWaalsContact CE1-OE1 3.23Å; H19-E23 IonicContact CG-OE1 3.33Å; H19-E23 IonicContact ND1-OE1 2.66Å; H19-E23 PolarHBondContact ND1-OE1 2.87Å; H19-E23 WeakPolarHBondContact O-CG 3.39Å; H19-E23 PolarHBondContact O-N 2.97Å |
| 20 | R | 87.1 | Confident | 79.4 | Confident | 116 Ų | 116 | 66 Ų | 66 | 44% | 0.438 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 178 | -67.8 | -53.4 | -164.5 | -174.7 | 1.6 | 112.7 | L16 P17 L22 E23 V24 Y102 | L16-R20 HydrophobicContact CD1-CG 4.42Å; L16-R20 PolarHBondContact O-N 2.78Å; P17-R20 PolarHBondContact O-N 2.96Å; R20-L22 VanDerWaalsContact C-N 3.29Å; R20-L22 PolarHBondContact O-N 2.92Å; R20-E23 WeakPolarHBondContact CD-OE2 3.09Å; R20-E23 IonicContact CZ-OE1 3.24Å; R20-E23 IonicContact CZ-OE2 3.91Å; R20-E23 IonicContact NE-OE2 3.16Å; R20-E23 VanDerWaalsContact NH1-CD 3.34Å; R20-E23 IonicContact NH1-OE1 2.72Å; R20-E23 PolarHBondContact NH1-OE1 2.73Å; R20-E23 IonicContact NH1-OE2 2.79Å; R20-E23 PolarHBondContact NH1-OE2 2.81Å; R20-E23 PolarHBondContact O-N 3.03Å; R20-V24 WeakPolarHBondContact O-CB 3.25Å; R20-V24 WeakPolarHBondContact O-CG2 3.43Å; R20-V24 PolarHBondContact O-N 3.47Å; R20-Y102 HydrophobicContact CB-CD1 3.75Å; R20-Y102 HydrophobicContact CB-CE1 4.14Å; R20-Y102 HydrophobicContact CB-CG 4.4Å; R20-Y102 HydrophobicContact CG-CD1 4.37Å |
| 21 | L | 89.1 | Confident | 80.2 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 172.8 | -69.1 | 170.7 | 0 | 0 | 0 | 111.4 | P17 V24 Q25 Y102 E132 M135 V139 | P17-L21 WeakPolarHBondContact O-CB 3.24Å; P17-L21 VanDerWaalsContact O-CG 3.31Å; P17-L21 WeakPolarHBondContact O-CG 3.33Å; P17-L21 PolarHBondContact O-N 3.12Å; L21-V24 PolarHBondContact O-N 2.92Å; L21-Q25 VanDerWaalsContact O-CG 3.28Å; L21-Q25 WeakPolarHBondContact O-CG 3.36Å; L21-Q25 PolarHBondContact O-N 2.85Å; L21-Y102 HydrophobicContact CD2-CD2 3.8Å; L21-Y102 HydrophobicContact CD2-CE2 4.23Å; L21-E132 HydrophobicContact CD1-CG 4.26Å; L21-E132 HydrophobicContact CD2-CG 4.24Å; L21-M135 HydrophobicContact CD1-CB 4.07Å; L21-M135 HydrophobicContact CD1-CE 3.86Å; L21-M135 HydrophobicContact CD1-CG 3.99Å; L21-V139 HydrophobicContact CB-CG1 4.4Å |
| 22 | L | 87.5 | Confident | 81.1 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -46.9 | 176.6 | -171.8 | 66.1 | 0 | 0 | 0 | 112 | C18 H19 R20 V24 Q25 C26 V34 L36 V139 V143 | C18-L22 WeakPolarHBondContact O-CB 3.48Å; C18-L22 PolarHBondContact O-N 2.88Å; C18-L22 VanDerWaalsContact O-N 3.14Å; H19-L22 WeakPolarHBondContact O-CB 3.22Å; H19-L22 PolarHBondContact O-N 3.17Å; R20-L22 VanDerWaalsContact C-N 3.29Å; R20-L22 PolarHBondContact O-N 2.92Å; L22-V24 VanDerWaalsContact C-N 3.33Å; L22-V24 PolarHBondContact O-N 2.91Å; L22-Q25 PolarHBondContact O-N 3.48Å; L22-C26 WeakPolarHBondContact O-CB 3.49Å; L22-C26 PolarHBondContact O-N 3.28Å; L22-C26 PolarHBondContact O-SG 3.23Å; L22-V34 HydrophobicContact CD1-CB 4.27Å; L22-V34 WeakPolarHBondContact CD2-O 3.43Å; L22-L36 HydrophobicContact CD2-CD1 3.8Å; L22-L36 HydrophobicContact CD2-CG 3.89Å; L22-V139 HydrophobicContact CB-CG1 4.06Å; L22-V139 HydrophobicContact CD1-CG1 3.82Å; L22-V143 HydrophobicContact CD1-CG2 3.54Å |
| 23 | E | 86.7 | Confident | 81.8 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 20% | 0.201 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -53.6 | -49.1 | 171.4 | -69.9 | 165 | -160.7 | 0 | 0 | 111.6 | H19 R20 C26 L27 L33 | H19-E23 IonicContact CE1-OE1 2.65Å; H19-E23 PolarHBondContact CE1-OE1 3.16Å; H19-E23 VanDerWaalsContact CE1-OE1 3.23Å; H19-E23 IonicContact CG-OE1 3.33Å; H19-E23 IonicContact ND1-OE1 2.66Å; H19-E23 PolarHBondContact ND1-OE1 2.87Å; H19-E23 WeakPolarHBondContact O-CG 3.39Å; H19-E23 PolarHBondContact O-N 2.97Å; R20-E23 WeakPolarHBondContact CD-OE2 3.09Å; R20-E23 IonicContact CZ-OE1 3.24Å; R20-E23 IonicContact CZ-OE2 3.91Å; R20-E23 IonicContact NE-OE2 3.16Å; R20-E23 VanDerWaalsContact NH1-CD 3.34Å; R20-E23 IonicContact NH1-OE1 2.72Å; R20-E23 PolarHBondContact NH1-OE1 2.73Å; R20-E23 IonicContact NH1-OE2 2.79Å; R20-E23 PolarHBondContact NH1-OE2 2.81Å; R20-E23 PolarHBondContact O-N 3.03Å; E23-C26 PolarHBondContact O-N 3.35Å; E23-L27 WeakPolarHBondContact O-CB 3.47Å; E23-L27 VanDerWaalsContact O-CG 3.25Å; E23-L27 WeakPolarHBondContact O-CG 3.5Å; E23-L27 PolarHBondContact O-N 2.61Å; E23-L33 HydrophobicContact CB-CD1 4.34Å; E23-L33 HydrophobicContact CG-CD1 3.87Å |
| 24 | V | 86 | Confident | 82.2 | Confident | 51 Ų | 51 | 63.9 Ų | 63.9 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | -177.6 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | R20 L21 L22 L27 K28 Y102 | R20-V24 WeakPolarHBondContact O-CB 3.25Å; R20-V24 WeakPolarHBondContact O-CG2 3.43Å; R20-V24 PolarHBondContact O-N 3.47Å; L21-V24 PolarHBondContact O-N 2.92Å; L22-V24 VanDerWaalsContact C-N 3.33Å; L22-V24 PolarHBondContact O-N 2.91Å; V24-L27 PolarHBondContact O-N 3.16Å; V24-K28 VanDerWaalsContact O-CB 3.28Å; V24-K28 WeakPolarHBondContact O-CB 3.33Å; V24-K28 PolarHBondContact O-N 2.65Å; V24-Y102 HydrophobicContact CG2-CE1 4.48Å; V24-Y102 WeakPolarHBondContact CG2-OH 3.35Å |
| 25 | Q | 82.1 | Confident | 82.2 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.1 | -33.7 | 178.2 | -61.6 | -68.9 | 40.7 | 0 | 0 | 112.4 | L21 L22 L29 V139 Q140 V143 | L21-Q25 VanDerWaalsContact O-CG 3.28Å; L21-Q25 WeakPolarHBondContact O-CG 3.36Å; L21-Q25 PolarHBondContact O-N 2.85Å; L22-Q25 PolarHBondContact O-N 3.48Å; Q25-L29 WeakPolarHBondContact O-CB 3.26Å; Q25-L29 WeakPolarHBondContact O-CG 3.12Å; Q25-L29 PolarHBondContact O-N 2.9Å; Q25-V139 HydrophobicContact CB-CG1 4.38Å; Q25-V139 HydrophobicContact CG-CG1 4.12Å; Q25-Q140 VanDerWaalsContact NE2-OE1 3.16Å; Q25-V143 HydrophobicContact CB-CG2 4.37Å |
| 26 | C | 83 | Confident | 82.3 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.02 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 169.1 | -78.3 | 0 | 0 | 0 | 0 | 111.4 | L22 E23 L29 R30 R31 P32 L33 V34 | L22-C26 WeakPolarHBondContact O-CB 3.49Å; L22-C26 PolarHBondContact O-N 3.28Å; L22-C26 PolarHBondContact O-SG 3.23Å; E23-C26 PolarHBondContact O-N 3.35Å; C26-L29 CarbonylContact O-C 3.58Å; C26-L29 PolarHBondContact O-N 2.77Å; C26-R30 PolarHBondContact O-N 2.62Å; C26-R31 PolarHBondContact O-N 2.84Å; C26-P32 PolarHBondContact SG-O 3.12Å; C26-P32 VanDerWaalsContact SG-O 3.38Å; C26-L33 HydrophobicContact CB-CD1 4.4Å; C26-V34 PolarHBondContact SG-N 3.48Å |
| 27 | L | 82.6 | Confident | 82.2 | Confident | 131 Ų | 131 | 61 Ų | 61 | 69% | 0.686 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | 177.3 | -74.3 | 167.5 | 0 | 0 | 0 | 112 | E23 V24 L29 R30 | E23-L27 WeakPolarHBondContact O-CB 3.47Å; E23-L27 VanDerWaalsContact O-CG 3.25Å; E23-L27 WeakPolarHBondContact O-CG 3.5Å; E23-L27 PolarHBondContact O-N 2.61Å; V24-L27 PolarHBondContact O-N 3.16Å; L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 2.93Å; L27-R30 PolarHBondContact O-N 3.23Å |
| 28 | K | 78 | Confident | 82 | Confident | 119 Ų | 119 | 65.4 Ų | 65.4 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 177.5 | -172.3 | 173.5 | -172.4 | 177.6 | 0 | 112.2 | V24 R30 D976 | V24-K28 VanDerWaalsContact O-CB 3.28Å; V24-K28 WeakPolarHBondContact O-CB 3.33Å; V24-K28 PolarHBondContact O-N 2.65Å; K28-R30 VanDerWaalsContact C-N 3.28Å; K28-R30 PolarHBondContact O-N 3.47Å; K28-D976 WeakPolarHBondContact CE-OD1 3.31Å; K28-D976 IonicContact NZ-OD1 2.63Å |
| 29 | L | 73.3 | Confident | 81.6 | Confident | 52 Ų | 52 | 69.3 Ų | 69.3 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 3.2 | 174.4 | -67.9 | -179.9 | 0 | 0 | 0 | 114.2 | Q25 C26 L27 R31 V143 | Q25-L29 WeakPolarHBondContact O-CB 3.26Å; Q25-L29 WeakPolarHBondContact O-CG 3.12Å; Q25-L29 PolarHBondContact O-N 2.9Å; C26-L29 CarbonylContact O-C 3.58Å; C26-L29 PolarHBondContact O-N 2.77Å; L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 2.93Å; L29-R31 VanDerWaalsContact C-N 3.25Å; L29-R31 HydrophobicContact CB-CG 4.23Å; L29-R31 PolarHBondContact O-N 3.11Å; L29-V143 HydrophobicContact CD1-CB 4.49Å; L29-V143 HydrophobicContact CD1-CG1 3.73Å |
| 30 | R | 76.5 | Confident | 81.3 | Confident | 237 Ų | 237 | 65.8 Ų | 65.8 | 89% | 0.894 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 41.1 | -175.8 | -55.2 | -175 | -174.4 | -178.7 | 3.1 | 113.1 | C26 L27 K28 | C26-R30 PolarHBondContact O-N 2.62Å; L27-R30 PolarHBondContact O-N 3.23Å; K28-R30 VanDerWaalsContact C-N 3.28Å; K28-R30 PolarHBondContact O-N 3.47Å |
| 31 | R | 69.3 | Low | 81.2 | Confident | 89 Ų | 89 | 62.4 Ų | 62.4 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | trans | -109.7 | 155.7 | -177.7 | -78.4 | 173.9 | -179.8 | 176.9 | -7.7 | 112 | C26 L29 V143 S147 | C26-R31 PolarHBondContact O-N 2.84Å; L29-R31 VanDerWaalsContact C-N 3.25Å; L29-R31 HydrophobicContact CB-CG 4.23Å; L29-R31 PolarHBondContact O-N 3.11Å; R31-V143 PolarHBondContact NH1-O 3.1Å; R31-S147 PolarHBondContact NH1-OG 3.37Å; R31-S147 PolarHBondContact NH2-OG 3.48Å | ||
| 32 | P | 71.9 | Confident | 80.9 | Confident | 106 Ų | 106 | 64.9 Ų | 64.9 | 69% | 0.688 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 155.1 | 167.2 | 26.9 | -35.3 | 0 | 0 | 0 | 110.9 | C26 V34 | C26-P32 PolarHBondContact SG-O 3.12Å; C26-P32 VanDerWaalsContact SG-O 3.38Å; P32-V34 PolarHBondContact O-N 3.5Å |
| 33 | L | 79.7 | Confident | 80.6 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 45% | 0.445 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 122.9 | 179.5 | -175.6 | 64.6 | 0 | 0 | 0 | 110.2 | E23 C26 | E23-L33 HydrophobicContact CB-CD1 4.34Å; E23-L33 HydrophobicContact CG-CD1 3.87Å; C26-L33 HydrophobicContact CB-CD1 4.4Å |
| 34 | V | 83 | Confident | 80.6 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 129.9 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | L22 C26 P32 V142 V143 E146 I154 | L22-V34 HydrophobicContact CD1-CB 4.27Å; L22-V34 WeakPolarHBondContact CD2-O 3.43Å; C26-V34 PolarHBondContact SG-N 3.48Å; P32-V34 PolarHBondContact O-N 3.5Å; V34-V142 HydrophobicContact CG1-CG1 4.47Å; V34-V143 HydrophobicContact CG2-CG1 4.49Å; V34-V143 HydrophobicContact CG2-CG2 4.4Å; V34-E146 HydrophobicContact CB-CG 4.39Å; V34-E146 HydrophobicContact CG1-CB 4.14Å; V34-E146 HydrophobicContact CG1-CG 3.85Å; V34-E146 HydrophobicContact CG2-CB 3.93Å; V34-E146 HydrophobicContact CG2-CG 3.7Å; V34-I154 HydrophobicContact CG1-CB 4.49Å; V34-I154 HydrophobicContact CG1-CG1 3.74Å |
| 35 | C | 83.4 | Confident | 80.6 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 48% | 0.48 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 110.3 | 175.6 | -72.3 | 0 | 0 | 0 | 0 | 111.1 | G152 Y153 I154 | C35-G152 WeakPolarHBondContact CB-O 3.41Å; C35-G152 PolarHBondContact N-O 2.74Å; C35-Y153 HydrophobicContact CB-CD2 3.73Å; C35-Y153 HydrophobicContact CB-CE2 4.48Å; C35-Y153 CarbonylContact O-C 3.58Å; C35-Y153 WeakPolarHBondContact O-CA 3.39Å; C35-Y153 WeakPolarHBondContact O-CD2 3.49Å; C35-I154 PolarHBondContact O-N 2.86Å |
| 36 | L | 83.4 | Confident | 80.6 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.8 | 167.5 | -81.7 | 171.7 | 0 | 0 | 0 | 110.7 | L22 A40 K41 I44 V142 I154 | L22-L36 HydrophobicContact CD2-CD1 3.8Å; L22-L36 HydrophobicContact CD2-CG 3.89Å; L36-A40 HydrophobicContact CD2-CB 3.89Å; L36-K41 HydrophobicContact CB-CB 4.34Å; L36-K41 HydrophobicContact CD1-CB 4.31Å; L36-K41 HydrophobicContact CD1-CG 4.45Å; L36-I44 HydrophobicContact CD1-CD1 3.81Å; L36-I44 HydrophobicContact CD2-CD1 3.74Å; L36-I44 HydrophobicContact CG-CD1 4.48Å; L36-V142 HydrophobicContact CD2-CG1 4.13Å; L36-I154 HydrophobicContact CD2-CB 4.09Å; L36-I154 HydrophobicContact CD2-CG2 3.72Å |
| 37 | S | 83.9 | Confident | 80.5 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 6% | 0.056 | 33% | 0.328 | C | S | . | . | trans | -60.2 | 147.8 | 163.4 | 64.9 | 0 | 0 | 0 | 0 | 111 | V39 A40 K41 Y153 I154 | S37-V39 PolarHBondContact O-N 3.15Å; S37-V39 VanDerWaalsContact O-N 3.13Å; S37-A40 WeakPolarHBondContact O-CB 3.31Å; S37-A40 PolarHBondContact O-N 2.85Å; S37-A40 VanDerWaalsContact O-N 3.08Å; S37-A40 WeakPolarHBondContact OG-CB 3.48Å; S37-A40 PolarHBondContact OG-N 2.91Å; S37-K41 PolarHBondContact O-N 3.29Å; S37-Y153 VanDerWaalsContact CB-OH 3.23Å; S37-Y153 WeakPolarHBondContact CB-OH 3.38Å; S37-I154 WeakPolarHBondContact CB-O 3.43Å; S37-I154 PolarHBondContact N-O 3.11Å; S37-I154 PolarHBondContact OG-O 3.23Å | ||
| 38 | P | 81.9 | Confident | 80.6 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 65% | 0.649 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -56.8 | -33.5 | -179.2 | -27.6 | 35.4 | 0 | 0 | 0 | 113.5 | T42 | P38-T42 WeakPolarHBondContact O-CB 3.23Å; P38-T42 PolarHBondContact O-N 3.25Å; P38-T42 PolarHBondContact O-OG1 2.83Å |
| 39 | V | 77.7 | Confident | 80.8 | Confident | 83 Ų | 83 | 53.1 Ų | 53.1 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73.8 | -41.8 | 178 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | S37 K41 T42 H43 A156 | S37-V39 PolarHBondContact O-N 3.15Å; S37-V39 VanDerWaalsContact O-N 3.13Å; V39-K41 PolarHBondContact O-N 3.48Å; V39-T42 WeakPolarHBondContact O-CB 3.49Å; V39-T42 PolarHBondContact O-N 2.99Å; V39-H43 PolarHBondContact O-CD2 3.35Å; V39-H43 PolarHBondContact O-N 2.81Å; V39-A156 HydrophobicContact CB-CB 4.08Å; V39-A156 HydrophobicContact CG1-CB 3.76Å |
| 40 | A | 80.5 | Confident | 81 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.3 | -46.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | L36 S37 T42 H43 I44 I154 V159 | L36-A40 HydrophobicContact CD2-CB 3.89Å; S37-A40 WeakPolarHBondContact O-CB 3.31Å; S37-A40 PolarHBondContact O-N 2.85Å; S37-A40 VanDerWaalsContact O-N 3.08Å; S37-A40 WeakPolarHBondContact OG-CB 3.48Å; S37-A40 PolarHBondContact OG-N 2.91Å; A40-T42 PolarHBondContact O-N 3.45Å; A40-H43 WeakPolarHBondContact O-CB 3.31Å; A40-H43 PolarHBondContact O-N 3.03Å; A40-H43 VanDerWaalsContact O-N 3.16Å; A40-I44 WeakPolarHBondContact O-CG1 3.22Å; A40-I44 PolarHBondContact O-N 3.12Å; A40-I154 HydrophobicContact CB-CG2 4.39Å; A40-V159 HydrophobicContact CB-CB 4.48Å; A40-V159 HydrophobicContact CB-CG2 3.72Å |
| 41 | K | 85.6 | Confident | 81 | Confident | 45 Ų | 45 | 41 Ų | 41 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 175.2 | -171.9 | -174.8 | -176.2 | -171.1 | 0 | 112.1 | D15 L36 S37 V39 H43 I44 V45 | D15-K41 WeakPolarHBondContact O-CE 3.36Å; D15-K41 PolarHBondContact O-NZ 3.11Å; D15-K41 WeakPolarHBondContact OD1-CD 3.26Å; D15-K41 WeakPolarHBondContact OD1-CE 3.31Å; D15-K41 IonicContact OD1-NZ 3.77Å; D15-K41 PolarHBondContact OD1-NZ 2.96Å; L36-K41 HydrophobicContact CB-CB 4.34Å; L36-K41 HydrophobicContact CD1-CB 4.31Å; L36-K41 HydrophobicContact CD1-CG 4.45Å; S37-K41 PolarHBondContact O-N 3.29Å; V39-K41 PolarHBondContact O-N 3.48Å; K41-H43 VanDerWaalsContact C-N 3.28Å; K41-H43 PolarHBondContact O-N 3.25Å; K41-I44 PolarHBondContact O-N 2.91Å; K41-V45 PolarHBondContact O-N 3.24Å |
| 42 | T | 83.4 | Confident | 81.5 | Confident | 66 Ų | 66 | 36.8 Ų | 36.8 | 41% | 0.405 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.1 | -38.7 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | P38 V39 A40 N46 | P38-T42 WeakPolarHBondContact O-CB 3.23Å; P38-T42 PolarHBondContact O-N 3.25Å; P38-T42 PolarHBondContact O-OG1 2.83Å; V39-T42 WeakPolarHBondContact O-CB 3.49Å; V39-T42 PolarHBondContact O-N 2.99Å; A40-T42 PolarHBondContact O-N 3.45Å; T42-N46 VanDerWaalsContact O-CB 3.29Å; T42-N46 WeakPolarHBondContact O-CB 3.28Å; T42-N46 VanDerWaalsContact O-CG 3.23Å; T42-N46 PolarHBondContact O-N 3.36Å; T42-N46 PolarHBondContact O-ND2 2.89Å |
| 43 | H | 81.4 | Confident | 81.7 | Confident | 30 Ų | 30 | 32.6 Ų | 32.6 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.6 | -76.1 | -56.6 | 0 | 0 | 0 | 113.2 | V39 A40 K41 N46 Y47 V159 H160 F163 Y178 | V39-H43 PolarHBondContact O-CD2 3.35Å; V39-H43 PolarHBondContact O-N 2.81Å; A40-H43 WeakPolarHBondContact O-CB 3.31Å; A40-H43 PolarHBondContact O-N 3.03Å; A40-H43 VanDerWaalsContact O-N 3.16Å; K41-H43 VanDerWaalsContact C-N 3.28Å; K41-H43 PolarHBondContact O-N 3.25Å; H43-N46 PolarHBondContact O-N 2.93Å; H43-Y47 VanDerWaalsContact O-CB 3.24Å; H43-Y47 WeakPolarHBondContact O-CB 3.35Å; H43-Y47 PolarHBondContact O-N 3.1Å; H43-V159 HydrophobicContact CB-CG1 3.87Å; H43-H160 AromaticContact CD2-CE1 3.75Å; H43-H160 AromaticContact CD2-NE2 3.35Å; H43-H160 PolarHBondContact CD2-NE2 3.01Å; H43-H160 VanDerWaalsContact CD2-NE2 3.35Å; H43-H160 AromaticContact CE1-CE1 3.38Å; H43-H160 PolarHBondContact CE1-CE1 2.88Å; H43-H160 AromaticContact CE1-NE2 3.31Å; H43-H160 PolarHBondContact CE1-NE2 3.34Å; H43-H160 VanDerWaalsContact CE1-NE2 3.31Å; H43-H160 AromaticContact CG-CE1 3.66Å; H43-H160 AromaticContact CG-NE2 3.76Å; H43-H160 AromaticContact ND1-CE1 3.42Å; H43-H160 PolarHBondContact ND1-CE1 3.41Å; H43-H160 AromaticContact ND1-NE2 3.72Å; H43-H160 AromaticContact NE2-CE1 3.57Å; H43-H160 AromaticContact NE2-NE2 3.03Å; H43-H160 PolarHBondContact NE2-NE2 2.82Å; H43-F163 HydrophobicContact CB-CE2 4.05Å; H43-F163 HydrophobicContact CB-CZ 4.35Å; H43-F163 WeakPolarHBondContact O-CZ 3.4Å; H43-Y178 AromaticContact CE1-CE1 3.8Å; H43-Y178 AromaticContact CE1-CZ 3.9Å; H43-Y178 AromaticContact ND1-CE1 3.84Å; H43-Y178 AromaticContact ND1-CE2 3.87Å; H43-Y178 AromaticContact ND1-CZ 3.45Å; H43-Y178 PolarHBondContact ND1-OH 2.9Å |
| 44 | I | 86.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 175.8 | -65.8 | 166.1 | 0 | 0 | 0 | 111 | L36 A40 K41 T48 M135 I138 V142 V159 | L36-I44 HydrophobicContact CD1-CD1 3.81Å; L36-I44 HydrophobicContact CD2-CD1 3.74Å; L36-I44 HydrophobicContact CG-CD1 4.48Å; A40-I44 WeakPolarHBondContact O-CG1 3.22Å; A40-I44 PolarHBondContact O-N 3.12Å; K41-I44 PolarHBondContact O-N 2.91Å; I44-T48 WeakPolarHBondContact O-CB 3.26Å; I44-T48 PolarHBondContact O-N 3.46Å; I44-T48 VanDerWaalsContact O-N 3.08Å; I44-T48 PolarHBondContact O-OG1 3.01Å; I44-M135 HydrophobicContact CG2-CG 4.24Å; I44-I138 HydrophobicContact CB-CG2 4.42Å; I44-I138 HydrophobicContact CG1-CG2 3.99Å; I44-I138 HydrophobicContact CG2-CB 4.47Å; I44-I138 HydrophobicContact CG2-CG2 3.87Å; I44-V142 HydrophobicContact CD1-CG2 3.99Å; I44-V159 HydrophobicContact CD1-CG2 4.14Å; I44-V159 HydrophobicContact CG1-CG1 3.94Å; I44-V159 HydrophobicContact CG1-CG2 4.21Å |
| 45 | V | 86.7 | Confident | 80.9 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -51 | 176.7 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | L14 C18 K41 Y47 T48 L49 | L14-V45 HydrophobicContact CB-CG1 4.03Å; L14-V45 HydrophobicContact CB-CG2 4Å; L14-V45 HydrophobicContact CD1-CG1 4.34Å; C18-V45 HydrophobicContact CB-CG2 4.43Å; K41-V45 PolarHBondContact O-N 3.24Å; V45-Y47 PolarHBondContact O-N 3.04Å; V45-T48 PolarHBondContact O-N 2.72Å; V45-L49 HydrophobicContact CG1-CD1 3.99Å; V45-L49 WeakPolarHBondContact O-CG 3.42Å; V45-L49 PolarHBondContact O-N 2.92Å |
| 46 | N | 81.9 | Confident | 80.4 | Confident | 62 Ų | 62 | 26.4 Ų | 26.4 | 33% | 0.332 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.3 | -36.3 | -178.5 | -73.9 | -20.7 | 0 | 0 | 0 | 113.1 | T42 H43 L49 N50 | T42-N46 VanDerWaalsContact O-CB 3.29Å; T42-N46 WeakPolarHBondContact O-CB 3.28Å; T42-N46 VanDerWaalsContact O-CG 3.23Å; T42-N46 PolarHBondContact O-N 3.36Å; T42-N46 PolarHBondContact O-ND2 2.89Å; H43-N46 PolarHBondContact O-N 2.93Å; N46-L49 PolarHBondContact O-N 3.41Å; N46-N50 WeakPolarHBondContact O-CB 3.5Å; N46-N50 PolarHBondContact O-N 3.06Å; N46-N50 PolarHBondContact O-ND2 3.06Å |
| 47 | Y | 81 | Confident | 79.5 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.4 | -41.5 | 176.5 | -171.2 | -93.1 | 0 | 0 | 0 | 111.3 | H43 V45 N50 I51 L79 I138 F163 F166 V176 | H43-Y47 VanDerWaalsContact O-CB 3.24Å; H43-Y47 WeakPolarHBondContact O-CB 3.35Å; H43-Y47 PolarHBondContact O-N 3.1Å; V45-Y47 PolarHBondContact O-N 3.04Å; Y47-N50 PolarHBondContact O-N 3.31Å; Y47-I51 HydrophobicContact CD1-CD1 3.91Å; Y47-I51 HydrophobicContact CE1-CD1 3.61Å; Y47-I51 HydrophobicContact CE1-CG1 4.44Å; Y47-I51 PolarHBondContact O-N 3.07Å; Y47-I51 VanDerWaalsContact O-N 3.12Å; Y47-L79 HydrophobicContact CE1-CD1 3.76Å; Y47-I138 HydrophobicContact CD1-CD1 3.76Å; Y47-I138 HydrophobicContact CE1-CD1 4.3Å; Y47-F163 HydrophobicContact CD1-CD1 4.17Å; Y47-F163 AromaticContact CD1-CE1 3.89Å; Y47-F163 HydrophobicContact CD1-CE1 3.89Å; Y47-F163 HydrophobicContact CD1-CZ 4.19Å; Y47-F163 HydrophobicContact CD2-CD1 4.2Å; Y47-F163 AromaticContact CD2-CD2 3.74Å; Y47-F163 HydrophobicContact CD2-CD2 3.74Å; Y47-F163 HydrophobicContact CD2-CE1 4.26Å; Y47-F163 AromaticContact CD2-CE2 3.79Å; Y47-F163 HydrophobicContact CD2-CE2 3.79Å; Y47-F163 AromaticContact CD2-CG 3.95Å; Y47-F163 HydrophobicContact CD2-CG 3.95Å; Y47-F163 HydrophobicContact CD2-CZ 4.06Å; Y47-F163 HydrophobicContact CE1-CD1 4.28Å; Y47-F163 HydrophobicContact CE1-CE1 4.43Å; Y47-F163 HydrophobicContact CE2-CB 4.23Å; Y47-F163 HydrophobicContact CE2-CD1 4.33Å; Y47-F163 HydrophobicContact CE2-CD2 4.19Å; Y47-F163 HydrophobicContact CE2-CG 4.01Å; Y47-F163 HydrophobicContact CG-CD1 4.12Å; Y47-F163 HydrophobicContact CG-CD2 4.18Å; Y47-F163 AromaticContact CG-CE1 3.78Å; Y47-F163 HydrophobicContact CG-CE1 3.78Å; Y47-F163 AromaticContact CG-CE2 3.84Å; Y47-F163 HydrophobicContact CG-CE2 3.84Å; Y47-F163 HydrophobicContact CG-CG 4.31Å; Y47-F163 AromaticContact CG-CZ 3.63Å; Y47-F163 HydrophobicContact CG-CZ 3.63Å; Y47-F166 HydrophobicContact CE1-CD2 4.15Å; Y47-V176 HydrophobicContact CD2-CG1 3.81Å; Y47-V176 HydrophobicContact CE2-CG1 3.89Å |
| 48 | T | 85 | Confident | 78.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 172.5 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | L14 I44 V45 N50 I51 V52 I134 M135 | L14-T48 HydrophobicContact CD1-CG2 4.49Å; I44-T48 WeakPolarHBondContact O-CB 3.26Å; I44-T48 PolarHBondContact O-N 3.46Å; I44-T48 VanDerWaalsContact O-N 3.08Å; I44-T48 PolarHBondContact O-OG1 3.01Å; V45-T48 PolarHBondContact O-N 2.72Å; T48-N50 VanDerWaalsContact C-N 3.33Å; T48-N50 PolarHBondContact O-N 2.79Å; T48-I51 PolarHBondContact O-N 3.49Å; T48-V52 WeakPolarHBondContact O-CG2 3.29Å; T48-V52 PolarHBondContact O-N 2.66Å; T48-I134 HydrophobicContact CG2-CB 4.21Å; T48-I134 HydrophobicContact CG2-CG2 3.93Å; T48-M135 HydrophobicContact CG2-CB 4.29Å |
| 49 | L | 81.6 | Confident | 77.1 | Confident | 28 Ų | 28 | 31.5 Ų | 31.5 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 177.1 | -71.3 | 171.2 | 0 | 0 | 0 | 112.8 | F9 L14 V45 N46 V52 K53 M131 | F9-L49 HydrophobicContact CB-CD1 3.95Å; F9-L49 HydrophobicContact CB-CD2 3.84Å; F9-L49 HydrophobicContact CD1-CD2 3.6Å; F9-L49 HydrophobicContact CD2-CD2 4.39Å; F9-L49 HydrophobicContact CE1-CD2 4.24Å; F9-L49 HydrophobicContact CG-CD2 3.68Å; L14-L49 HydrophobicContact CD1-CD1 4.5Å; L14-L49 HydrophobicContact CD1-CD2 3.82Å; L14-L49 HydrophobicContact CD1-CG 3.91Å; V45-L49 HydrophobicContact CG1-CD1 3.99Å; V45-L49 WeakPolarHBondContact O-CG 3.42Å; V45-L49 PolarHBondContact O-N 2.92Å; N46-L49 PolarHBondContact O-N 3.41Å; L49-V52 PolarHBondContact O-N 2.99Å; L49-K53 WeakPolarHBondContact O-CB 3.18Å; L49-K53 PolarHBondContact O-N 3.39Å; L49-M131 HydrophobicContact CD2-CE 4.03Å |
| 50 | N | 76.1 | Confident | 76.6 | Confident | 30 Ų | 30 | 29.7 Ų | 29.7 | 16% | 0.16 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.7 | -34 | 178.3 | -82.6 | -54.3 | 0 | 0 | 0 | 113.3 | N46 Y47 T48 S54 V176 | N46-N50 WeakPolarHBondContact O-CB 3.5Å; N46-N50 PolarHBondContact O-N 3.06Å; N46-N50 PolarHBondContact O-ND2 3.06Å; Y47-N50 PolarHBondContact O-N 3.31Å; T48-N50 VanDerWaalsContact C-N 3.33Å; T48-N50 PolarHBondContact O-N 2.79Å; N50-S54 WeakPolarHBondContact O-CB 3.38Å; N50-S54 PolarHBondContact O-N 2.83Å; N50-S54 PolarHBondContact O-OG 3.41Å; N50-V176 HydrophobicContact CB-CG1 4.21Å; N50-V176 HydrophobicContact CB-CG2 3.87Å |
| 51 | I | 76.5 | Confident | 76.1 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -47.5 | 171.5 | -68.5 | 168.8 | 0 | 0 | 0 | 109.8 | Y47 T48 K53 S54 L55 F75 L79 I134 | Y47-I51 HydrophobicContact CD1-CD1 3.91Å; Y47-I51 HydrophobicContact CE1-CD1 3.61Å; Y47-I51 HydrophobicContact CE1-CG1 4.44Å; Y47-I51 PolarHBondContact O-N 3.07Å; Y47-I51 VanDerWaalsContact O-N 3.12Å; T48-I51 PolarHBondContact O-N 3.49Å; I51-K53 PolarHBondContact O-N 3.25Å; I51-S54 WeakPolarHBondContact O-CB 3.31Å; I51-S54 PolarHBondContact O-N 3.5Å; I51-S54 VanDerWaalsContact O-N 3.15Å; I51-L55 PolarHBondContact O-N 2.86Å; I51-L55 VanDerWaalsContact O-N 3.13Å; I51-F75 HydrophobicContact CG2-CD2 4.28Å; I51-F75 HydrophobicContact CG2-CE1 4.13Å; I51-F75 HydrophobicContact CG2-CE2 3.82Å; I51-F75 HydrophobicContact CG2-CZ 3.77Å; I51-L79 HydrophobicContact CD1-CD1 4.17Å; I51-I134 HydrophobicContact CB-CD1 4.4Å; I51-I134 HydrophobicContact CD1-CG2 3.97Å; I51-I134 HydrophobicContact CG2-CD1 3.81Å |
| 52 | V | 80.2 | Confident | 75.3 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | T48 L49 S54 L55 C56 F112 M131 | T48-V52 WeakPolarHBondContact O-CG2 3.29Å; T48-V52 PolarHBondContact O-N 2.66Å; L49-V52 PolarHBondContact O-N 2.99Å; V52-S54 VanDerWaalsContact C-N 3.28Å; V52-S54 PolarHBondContact O-N 3.49Å; V52-L55 WeakPolarHBondContact O-CB 3.44Å; V52-L55 PolarHBondContact O-N 3.23Å; V52-L55 VanDerWaalsContact O-N 3.11Å; V52-C56 PolarHBondContact O-N 2.89Å; V52-C56 PolarHBondContact O-SG 3.1Å; V52-F112 HydrophobicContact CG1-CE1 4.18Å; V52-F112 HydrophobicContact CG1-CZ 3.66Å; V52-M131 HydrophobicContact CG1-SD 4.3Å; V52-M131 HydrophobicContact CG2-CE 4.42Å; V52-M131 HydrophobicContact CG2-CG 3.39Å; V52-M131 HydrophobicContact CG2-SD 4.04Å |
| 53 | K | 76.2 | Confident | 75.3 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 174.8 | -167.2 | 176 | -172.1 | 176.3 | 0 | 111 | S2 F5 D6 L49 I51 L55 C56 D57 | S2-K53 PolarHBondContact O-NZ 2.9Å; F5-K53 HydrophobicContact CB-CD 4.19Å; F5-K53 HydrophobicContact CB-CG 4.4Å; F5-K53 HydrophobicContact CD1-CB 4.5Å; F5-K53 HydrophobicContact CD1-CG 4.33Å; F5-K53 HydrophobicContact CD2-CG 4.28Å; F5-K53 HydrophobicContact CG-CD 4.42Å; F5-K53 HydrophobicContact CG-CG 4.1Å; D6-K53 IonicContact OD1-NZ 2.75Å; D6-K53 PolarHBondContact OD1-NZ 2.89Å; D6-K53 IonicContact OD2-NZ 3.77Å; D6-K53 PolarHBondContact OD2-NZ 3.14Å; L49-K53 WeakPolarHBondContact O-CB 3.18Å; L49-K53 PolarHBondContact O-N 3.39Å; I51-K53 PolarHBondContact O-N 3.25Å; K53-L55 VanDerWaalsContact C-N 3.29Å; K53-L55 PolarHBondContact O-N 3.43Å; K53-C56 PolarHBondContact O-N 2.68Å; K53-D57 PolarHBondContact O-N 2.88Å |
| 54 | S | 71.9 | Confident | 75.4 | Confident | 14 Ų | 14 | 32 Ų | 32 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.8 | -24.1 | 176.6 | -55.7 | 0 | 0 | 0 | 0 | 113.8 | N50 I51 V52 C56 C74 S172 | N50-S54 WeakPolarHBondContact O-CB 3.38Å; N50-S54 PolarHBondContact O-N 2.83Å; N50-S54 PolarHBondContact O-OG 3.41Å; I51-S54 WeakPolarHBondContact O-CB 3.31Å; I51-S54 PolarHBondContact O-N 3.5Å; I51-S54 VanDerWaalsContact O-N 3.15Å; V52-S54 VanDerWaalsContact C-N 3.28Å; V52-S54 PolarHBondContact O-N 3.49Å; S54-C56 VanDerWaalsContact C-N 3.34Å; S54-C74 PolarHBondContact O-SG 2.95Å; S54-S172 PolarHBondContact OG-OG 3.24Å; S54-S172 VanDerWaalsContact OG-OG 3.11Å |
| 55 | L | 73.5 | Confident | 75.1 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.3 | -21.8 | 169.9 | -65.8 | 168.3 | 0 | 0 | 0 | 113 | I51 V52 K53 I67 S70 I71 C74 F75 L127 L130 | I51-L55 PolarHBondContact O-N 2.86Å; I51-L55 VanDerWaalsContact O-N 3.13Å; V52-L55 WeakPolarHBondContact O-CB 3.44Å; V52-L55 PolarHBondContact O-N 3.23Å; V52-L55 VanDerWaalsContact O-N 3.11Å; K53-L55 VanDerWaalsContact C-N 3.29Å; K53-L55 PolarHBondContact O-N 3.43Å; L55-I67 HydrophobicContact CD1-CG2 4.41Å; L55-S70 WeakPolarHBondContact CD2-O 3.37Å; L55-I71 HydrophobicContact CD2-CG1 4.25Å; L55-C74 HydrophobicContact CD2-CB 3.87Å; L55-C74 HydrophobicContact CG-CB 4.49Å; L55-F75 HydrophobicContact CD1-CE2 3.98Å; L55-F75 HydrophobicContact CD2-CD2 4.45Å; L55-F75 HydrophobicContact CD2-CE2 4.01Å; L55-F75 HydrophobicContact CG-CE2 4.31Å; L55-L127 HydrophobicContact CD1-CD2 4.36Å; L55-L130 HydrophobicContact CD1-CD2 3.55Å |
| 56 | C | 74.7 | Confident | 74.7 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -104.4 | 0.6 | -174.8 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | F5 V52 K53 S54 F116 | F5-C56 HydrophobicContact CE2-CB 3.96Å; F5-C56 HydrophobicContact CZ-CB 3.77Å; V52-C56 PolarHBondContact O-N 2.89Å; V52-C56 PolarHBondContact O-SG 3.1Å; K53-C56 PolarHBondContact O-N 2.68Å; S54-C56 VanDerWaalsContact C-N 3.34Å; C56-F116 HydrophobicContact CB-CE2 3.77Å; C56-F116 HydrophobicContact CB-CZ 3.83Å |
| 57 | D | 63.6 | Low | 74.6 | Confident | 83 Ų | 83 | 32.7 Ų | 32.7 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -87 | -10.1 | -169.2 | -123.8 | 20.3 | 0 | 0 | 0 | 113.6 | K53 | K53-D57 PolarHBondContact O-N 2.88Š|
| 58 | A | 55.4 | Low | 74.7 | Confident | 95 Ų | 95 | 34.4 Ų | 34.4 | 79% | 0.785 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -94.3 | -44.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 59 | A | 60.7 | Low | 74.2 | Confident | 69 Ų | 69 | 40.1 Ų | 40.1 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -158.3 | 168.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | P61 | A59-P61 WeakPolarHBondContact O-CD 3.39Š|
| 60 | A | 65.9 | Low | 73.7 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 37% | 0.372 | 26% | 0.259 | S | S | . | . | trans | -68.1 | 120.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | T62 F116 | A60-T62 PolarHBondContact O-N 2.89Å; A60-F116 HydrophobicContact CB-CB 4.34Å; A60-F116 HydrophobicContact CB-CD1 3.41Å; A60-F116 VanDerWaalsContact CB-CD1 3.41Å; A60-F116 HydrophobicContact CB-CE1 3.8Å; A60-F116 HydrophobicContact CB-CG 3.97Å | ||
| 61 | P | 69.7 | Low | 73.7 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 7% | 0.065 | 25% | 0.252 | C | S | . | . | trans | -62.9 | 126.3 | 178.6 | 25.1 | -32.7 | 0 | 0 | 0 | 109.5 | A59 D66 I67 M119 V123 L127 | A59-P61 WeakPolarHBondContact O-CD 3.39Å; P61-D66 HydrophobicContact CB-CB 4.2Å; P61-I67 HydrophobicContact CB-CD1 4.26Å; P61-I67 HydrophobicContact CB-CG1 3.72Å; P61-I67 HydrophobicContact CG-CD1 4.48Å; P61-I67 HydrophobicContact CG-CG1 4.24Å; P61-M119 HydrophobicContact CG-CE 4.04Å; P61-M119 HydrophobicContact CG-SD 4.26Å; P61-V123 HydrophobicContact CB-CG1 4.08Å; P61-V123 HydrophobicContact CG-CG1 4.1Å; P61-L127 HydrophobicContact CG-CD1 4.47Å | ||
| 62 | T | 70.6 | Confident | 73.2 | Confident | 102 Ų | 102 | 42.5 Ų | 42.5 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | trans | -95.9 | -31.3 | -177.8 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | A60 D66 | A60-T62 PolarHBondContact O-N 2.89Å; T62-D66 WeakPolarHBondContact CA-OD2 3.3Å; T62-D66 PolarHBondContact N-OD2 3.08Å; T62-D66 PolarHBondContact OG1-OD2 2.75Å | ||
| 63 | C | 82.6 | Confident | 72.2 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -133.5 | 171.2 | 174.6 | 80.8 | 0 | 0 | 0 | 0 | 112.1 | G65 D66 | C63-G65 VanDerWaalsContact C-N 3.28Å; C63-G65 PolarHBondContact O-N 2.92Å; C63-G65 PolarHBondContact SG-N 3.35Å; C63-G65 VanDerWaalsContact SG-N 3.35Å; C63-D66 PolarHBondContact N-OD2 3.31Å; C63-D66 PolarHBondContact O-N 3.43Å; C63-D66 VanDerWaalsContact SG-CG 3.54Å; C63-D66 PolarHBondContact SG-N 3.32Å; C63-D66 PolarHBondContact SG-OD1 3.12Å |
| 64 | I | 83.5 | Confident | 71.6 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 11% | 0.108 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.8 | -32.9 | 176.2 | -67.7 | 175 | 0 | 0 | 0 | 111.2 | D66 I67 I68 Q90 I93 V123 F126 | I64-D66 VanDerWaalsContact C-N 3.33Å; I64-D66 PolarHBondContact O-N 2.83Å; I64-I67 WeakPolarHBondContact O-CB 3.43Å; I64-I67 PolarHBondContact O-N 3.39Å; I64-I67 VanDerWaalsContact O-N 3.09Å; I64-I68 HydrophobicContact CG2-CD1 3.82Å; I64-I68 HydrophobicContact CG2-CG1 4.2Å; I64-I68 PolarHBondContact O-N 2.88Å; I64-Q90 HydrophobicContact CG2-CB 4.5Å; I64-Q90 HydrophobicContact CG2-CG 4.36Å; I64-I93 HydrophobicContact CD1-CG2 4.35Å; I64-V123 HydrophobicContact CG1-CG2 4.44Å; I64-F126 HydrophobicContact CD1-CB 4.16Å; I64-F126 HydrophobicContact CD1-CD2 4.14Å; I64-F126 HydrophobicContact CD1-CG 4.37Å; I64-F126 HydrophobicContact CG1-CB 4.07Å; I64-F126 HydrophobicContact CG1-CD2 4.33Å; I64-F126 HydrophobicContact CG1-CG 4.2Å; I64-F126 HydrophobicContact CG2-CD1 4.13Å; I64-F126 HydrophobicContact CG2-CD2 3.54Å; I64-F126 HydrophobicContact CG2-CE1 4.12Å; I64-F126 HydrophobicContact CG2-CE2 3.55Å; I64-F126 HydrophobicContact CG2-CG 3.85Å; I64-F126 HydrophobicContact CG2-CZ 3.84Å |
| 65 | G | 80.5 | Confident | 71.4 | Confident | 37 Ų | 37 | 47 Ų | 47 | 38% | 0.381 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C63 I67 I68 Q69 | C63-G65 VanDerWaalsContact C-N 3.28Å; C63-G65 PolarHBondContact O-N 2.92Å; C63-G65 PolarHBondContact SG-N 3.35Å; C63-G65 VanDerWaalsContact SG-N 3.35Å; G65-I67 PolarHBondContact O-N 3.19Å; G65-I68 PolarHBondContact O-N 2.88Å; G65-Q69 WeakPolarHBondContact O-CB 3.31Å; G65-Q69 PolarHBondContact O-N 3.49Å |
| 66 | D | 78 | Confident | 71 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.5 | -38 | 176 | -52.8 | -18.2 | 0 | 0 | 0 | 111.3 | P61 T62 C63 I64 S70 | P61-D66 HydrophobicContact CB-CB 4.2Å; T62-D66 WeakPolarHBondContact CA-OD2 3.3Å; T62-D66 PolarHBondContact N-OD2 3.08Å; T62-D66 PolarHBondContact OG1-OD2 2.75Å; C63-D66 PolarHBondContact N-OD2 3.31Å; C63-D66 PolarHBondContact O-N 3.43Å; C63-D66 VanDerWaalsContact SG-CG 3.54Å; C63-D66 PolarHBondContact SG-N 3.32Å; C63-D66 PolarHBondContact SG-OD1 3.12Å; I64-D66 VanDerWaalsContact C-N 3.33Å; I64-D66 PolarHBondContact O-N 2.83Å; D66-S70 VanDerWaalsContact O-CB 3.22Å; D66-S70 WeakPolarHBondContact O-CB 3.37Å; D66-S70 PolarHBondContact O-N 3.37Å; D66-S70 PolarHBondContact O-OG 3.39Å |
| 67 | I | 80.2 | Confident | 70.6 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74.3 | -47.2 | 177.6 | -57.2 | 166.5 | 0 | 0 | 0 | 110.3 | L55 P61 I64 G65 Q69 S70 I71 V123 F126 L127 L130 | L55-I67 HydrophobicContact CD1-CG2 4.41Å; P61-I67 HydrophobicContact CB-CD1 4.26Å; P61-I67 HydrophobicContact CB-CG1 3.72Å; P61-I67 HydrophobicContact CG-CD1 4.48Å; P61-I67 HydrophobicContact CG-CG1 4.24Å; I64-I67 WeakPolarHBondContact O-CB 3.43Å; I64-I67 PolarHBondContact O-N 3.39Å; I64-I67 VanDerWaalsContact O-N 3.09Å; G65-I67 PolarHBondContact O-N 3.19Å; I67-Q69 VanDerWaalsContact C-N 3.32Å; I67-Q69 PolarHBondContact O-N 3.45Å; I67-S70 CarbonylContact O-C 3.6Å; I67-S70 WeakPolarHBondContact O-CA 3.43Å; I67-S70 WeakPolarHBondContact O-CB 3.15Å; I67-S70 PolarHBondContact O-N 3.16Å; I67-I71 HydrophobicContact CG2-CD1 4.27Å; I67-I71 HydrophobicContact CG2-CG1 4.36Å; I67-I71 WeakPolarHBondContact O-CG1 3.03Å; I67-I71 PolarHBondContact O-N 2.94Å; I67-V123 HydrophobicContact CD1-CG1 3.56Å; I67-V123 HydrophobicContact CG1-CG1 4.5Å; I67-F126 HydrophobicContact CB-CD1 4.27Å; I67-F126 HydrophobicContact CB-CE1 4.19Å; I67-F126 HydrophobicContact CD1-CD1 4Å; I67-F126 HydrophobicContact CG2-CD1 3.99Å; I67-F126 HydrophobicContact CG2-CE1 3.81Å; I67-L127 HydrophobicContact CD1-CD1 4.18Å; I67-L127 HydrophobicContact CD1-CD2 3.7Å; I67-L127 HydrophobicContact CD1-CG 3.63Å; I67-L127 HydrophobicContact CG1-CD2 4.2Å; I67-L127 HydrophobicContact CG2-CD2 4.02Å; I67-L130 HydrophobicContact CG2-CD2 4.05Å |
| 68 | I | 82.3 | Confident | 70.9 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 179.7 | -69.3 | 174.4 | 0 | 0 | 0 | 110.4 | I64 G65 S70 I71 L86 Q90 F126 | I64-I68 HydrophobicContact CG2-CD1 3.82Å; I64-I68 HydrophobicContact CG2-CG1 4.2Å; I64-I68 PolarHBondContact O-N 2.88Å; G65-I68 PolarHBondContact O-N 2.88Å; I68-S70 PolarHBondContact O-N 3.33Å; I68-I71 WeakPolarHBondContact O-CB 3.45Å; I68-I71 PolarHBondContact O-N 2.9Å; I68-L86 HydrophobicContact CG2-CD1 4.44Å; I68-Q90 VanDerWaalsContact CD1-OE1 3.29Å; I68-F126 HydrophobicContact CD1-CE2 4.47Å; I68-F126 HydrophobicContact CD1-CZ 4.06Å; I68-F126 HydrophobicContact CG1-CE1 4.18Å; I68-F126 HydrophobicContact CG1-CZ 3.71Å |
| 69 | Q | 73.7 | Confident | 71.9 | Confident | 119 Ų | 119 | 48.9 Ų | 48.9 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57.5 | -50 | 171.7 | -169.2 | 174.1 | 26.6 | 0 | 0 | 110.2 | G65 I67 I71 D72 Y73 | G65-Q69 WeakPolarHBondContact O-CB 3.31Å; G65-Q69 PolarHBondContact O-N 3.49Å; I67-Q69 VanDerWaalsContact C-N 3.32Å; I67-Q69 PolarHBondContact O-N 3.45Å; Q69-I71 PolarHBondContact O-N 2.91Å; Q69-D72 WeakPolarHBondContact O-CB 3.47Å; Q69-D72 PolarHBondContact O-N 3.33Å; Q69-Y73 HydrophobicContact CG-CD2 4.1Å; Q69-Y73 HydrophobicContact CG-CE2 3.72Å; Q69-Y73 WeakPolarHBondContact O-CD2 3.03Å; Q69-Y73 PolarHBondContact O-N 3.5Å |
| 70 | S | 72.4 | Confident | 72.8 | Confident | 29 Ų | 29 | 50 Ų | 50 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -23.1 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 114.7 | L55 D66 I67 I68 Y73 C74 | L55-S70 WeakPolarHBondContact CD2-O 3.37Å; D66-S70 VanDerWaalsContact O-CB 3.22Å; D66-S70 WeakPolarHBondContact O-CB 3.37Å; D66-S70 PolarHBondContact O-N 3.37Å; D66-S70 PolarHBondContact O-OG 3.39Å; I67-S70 CarbonylContact O-C 3.6Å; I67-S70 WeakPolarHBondContact O-CA 3.43Å; I67-S70 WeakPolarHBondContact O-CB 3.15Å; I67-S70 PolarHBondContact O-N 3.16Å; I68-S70 PolarHBondContact O-N 3.33Å; S70-Y73 CarbonylContact O-C 3.5Å; S70-Y73 PolarHBondContact O-N 3.45Å; S70-Y73 VanDerWaalsContact O-N 3.12Å; S70-C74 WeakPolarHBondContact O-CB 3.43Å; S70-C74 PolarHBondContact O-N 2.94Å |
| 71 | I | 75.8 | Confident | 73.6 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 174.4 | -72.1 | 168.1 | 0 | 0 | 0 | 110.3 | L55 I67 I68 Q69 Y73 C74 F75 K80 L86 F126 L130 | L55-I71 HydrophobicContact CD2-CG1 4.25Å; I67-I71 HydrophobicContact CG2-CD1 4.27Å; I67-I71 HydrophobicContact CG2-CG1 4.36Å; I67-I71 WeakPolarHBondContact O-CG1 3.03Å; I67-I71 PolarHBondContact O-N 2.94Å; I68-I71 WeakPolarHBondContact O-CB 3.45Å; I68-I71 PolarHBondContact O-N 2.9Å; Q69-I71 PolarHBondContact O-N 2.91Å; I71-Y73 PolarHBondContact O-N 2.95Å; I71-C74 PolarHBondContact O-N 3.32Å; I71-F75 HydrophobicContact CB-CD2 4.09Å; I71-F75 HydrophobicContact CB-CE2 4.15Å; I71-F75 HydrophobicContact CG1-CD2 4.15Å; I71-F75 HydrophobicContact CG1-CE2 3.68Å; I71-F75 HydrophobicContact CG1-CZ 4.31Å; I71-F75 HydrophobicContact CG2-CD2 3.81Å; I71-F75 HydrophobicContact CG2-CE2 4.06Å; I71-F75 HydrophobicContact CG2-CG 4.14Å; I71-F75 WeakPolarHBondContact O-CB 3.38Å; I71-F75 PolarHBondContact O-N 3.43Å; I71-K80 HydrophobicContact CG2-CG 4.09Å; I71-L86 HydrophobicContact CD1-CD1 4.14Å; I71-L86 HydrophobicContact CD1-CD2 3.63Å; I71-F126 HydrophobicContact CD1-CE1 4.39Å; I71-L130 HydrophobicContact CD1-CD1 3.92Å; I71-L130 HydrophobicContact CD1-CD2 3.84Å; I71-L130 HydrophobicContact CG1-CD2 4.1Å |
| 72 | D | 66.4 | Low | 74.2 | Confident | 81 Ų | 81 | 50 Ų | 50 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -26.6 | 173.1 | -72.9 | -31.1 | 0 | 0 | 0 | 112.7 | Q69 K80 R352 | Q69-D72 WeakPolarHBondContact O-CB 3.47Å; Q69-D72 PolarHBondContact O-N 3.33Å; D72-K80 WeakPolarHBondContact OD1-CE 3.48Å; D72-K80 IonicContact OD1-NZ 3.75Å; D72-K80 PolarHBondContact OD1-NZ 2.83Å; D72-R352 PolarHBondContact O-NH1 2.8Å |
| 73 | Y | 59.1 | Low | 74.6 | Confident | 112 Ų | 112 | 49.3 Ų | 49.3 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -90.8 | -23.9 | 179.3 | -63.6 | -70 | 0 | 0 | 0 | 114.8 | Q69 S70 I71 R352 | Q69-Y73 HydrophobicContact CG-CD2 4.1Å; Q69-Y73 HydrophobicContact CG-CE2 3.72Å; Q69-Y73 WeakPolarHBondContact O-CD2 3.03Å; Q69-Y73 PolarHBondContact O-N 3.5Å; S70-Y73 CarbonylContact O-C 3.5Å; S70-Y73 PolarHBondContact O-N 3.45Å; S70-Y73 VanDerWaalsContact O-N 3.12Å; I71-Y73 PolarHBondContact O-N 2.95Å; Y73-R352 PolarHBondContact O-NH1 3.41Å; Y73-R352 PolarHBondContact O-NH2 2.95Å |
| 74 | C | 62.9 | Low | 74.5 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -115.4 | -19.1 | -171.4 | -67.7 | 0 | 0 | 0 | 0 | 116.1 | S54 L55 S70 I71 P169 | S54-C74 PolarHBondContact O-SG 2.95Å; L55-C74 HydrophobicContact CD2-CB 3.87Å; L55-C74 HydrophobicContact CG-CB 4.49Å; S70-C74 WeakPolarHBondContact O-CB 3.43Å; S70-C74 PolarHBondContact O-N 2.94Å; I71-C74 PolarHBondContact O-N 3.32Å; C74-P169 WeakPolarHBondContact O-CB 3.46Å |
| 75 | F | 68.8 | Low | 74.7 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | trans | -84.6 | 146.9 | -169.8 | -85.6 | -114.9 | 0 | 0 | 0 | 116.1 | I51 L55 I71 L79 K80 P81 L130 I134 | I51-F75 HydrophobicContact CG2-CD2 4.28Å; I51-F75 HydrophobicContact CG2-CE1 4.13Å; I51-F75 HydrophobicContact CG2-CE2 3.82Å; I51-F75 HydrophobicContact CG2-CZ 3.77Å; L55-F75 HydrophobicContact CD1-CE2 3.98Å; L55-F75 HydrophobicContact CD2-CD2 4.45Å; L55-F75 HydrophobicContact CD2-CE2 4.01Å; L55-F75 HydrophobicContact CG-CE2 4.31Å; I71-F75 HydrophobicContact CB-CD2 4.09Å; I71-F75 HydrophobicContact CB-CE2 4.15Å; I71-F75 HydrophobicContact CG1-CD2 4.15Å; I71-F75 HydrophobicContact CG1-CE2 3.68Å; I71-F75 HydrophobicContact CG1-CZ 4.31Å; I71-F75 HydrophobicContact CG2-CD2 3.81Å; I71-F75 HydrophobicContact CG2-CE2 4.06Å; I71-F75 HydrophobicContact CG2-CG 4.14Å; I71-F75 WeakPolarHBondContact O-CB 3.38Å; I71-F75 PolarHBondContact O-N 3.43Å; F75-L79 HydrophobicContact CD1-CB 4.44Å; F75-L79 VanDerWaalsContact CD1-O 3.28Å; F75-L79 WeakPolarHBondContact CD1-O 3.32Å; F75-L79 WeakPolarHBondContact CE1-O 3.47Å; F75-K80 HydrophobicContact CB-CB 4.37Å; F75-P81 HydrophobicContact CE1-CG 4.35Å; F75-L130 HydrophobicContact CE1-CD1 4.48Å; F75-L130 HydrophobicContact CE2-CD2 4.41Å; F75-L130 HydrophobicContact CZ-CD1 3.87Å; F75-L130 HydrophobicContact CZ-CD2 4.1Å; F75-L130 HydrophobicContact CZ-CG 4.1Å; F75-I134 HydrophobicContact CE1-CD1 4.03Å; F75-I134 HydrophobicContact CE1-CG1 3.75Å; F75-I134 HydrophobicContact CZ-CD1 3.78Å; F75-I134 HydrophobicContact CZ-CG1 4.02Å | ||
| 76 | P | 65.6 | Low | 74.9 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | trans | -64.9 | 141.4 | 156.4 | -16.1 | 30.9 | 0 | 0 | 0 | 111.1 | K78 L79 K80 F166 | P76-K78 VanDerWaalsContact C-N 3.3Å; P76-K78 PolarHBondContact O-N 3.19Å; P76-L79 HydrophobicContact CG-CD1 4.42Å; P76-L79 PolarHBondContact O-N 3.35Å; P76-K80 PolarHBondContact O-N 3.21Å; P76-K80 VanDerWaalsContact O-N 3.11Å; P76-F166 HydrophobicContact CB-CB 4.04Å; P76-F166 WeakPolarHBondContact CB-O 2.94Å | ||
| 77 | E | 65.6 | Low | 75.2 | Confident | 117 Ų | 117 | 55.9 Ų | 55.9 | 55% | 0.547 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33.8 | -168.5 | -165.7 | 161.3 | -135.4 | 0 | 0 | 113.7 | R353 | E77-R353 VanDerWaalsContact CD-NH1 3.28Å; E77-R353 IonicContact OE1-CZ 2.68Å; E77-R353 IonicContact OE1-NH1 2.69Å; E77-R353 PolarHBondContact OE1-NH1 3.41Å; E77-R353 IonicContact OE1-NH2 3.8Å; E77-R353 IonicContact OE2-CZ 2.84Å; E77-R353 VanDerWaalsContact OE2-CZ 3.26Å; E77-R353 IonicContact OE2-NH1 2.99Å; E77-R353 PolarHBondContact OE2-NH1 2.99Å; E77-R353 IonicContact OE2-NH2 2.72Å; E77-R353 PolarHBondContact OE2-NH2 3Å |
| 78 | K | 68.7 | Low | 75.5 | Confident | 110 Ų | 110 | 59.4 Ų | 59.4 | 48% | 0.478 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -8.2 | 177.9 | -63.6 | -176.4 | -171.5 | 166.5 | 0 | 115.1 | P76 W141 L165 F166 | P76-K78 VanDerWaalsContact C-N 3.3Å; P76-K78 PolarHBondContact O-N 3.19Å; K78-W141 HydrophobicContact CD-CH2 3.96Å; K78-W141 HydrophobicContact CD-CZ2 4.01Å; K78-L165 WeakPolarHBondContact CD-O 3.32Å; K78-L165 WeakPolarHBondContact CE-O 3.48Å; K78-L165 PolarHBondContact NZ-O 2.83Å; K78-F166 HydrophobicContact CB-CD1 4.17Å |
| 79 | L | 76.6 | Confident | 75.6 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -1.7 | 175.5 | -70.4 | 179.2 | 0 | 0 | 0 | 112.3 | Y47 I51 F75 P76 P81 Q137 I138 F166 | Y47-L79 HydrophobicContact CE1-CD1 3.76Å; I51-L79 HydrophobicContact CD1-CD1 4.17Å; F75-L79 HydrophobicContact CD1-CB 4.44Å; F75-L79 VanDerWaalsContact CD1-O 3.28Å; F75-L79 WeakPolarHBondContact CD1-O 3.32Å; F75-L79 WeakPolarHBondContact CE1-O 3.47Å; P76-L79 HydrophobicContact CG-CD1 4.42Å; P76-L79 PolarHBondContact O-N 3.35Å; L79-P81 WeakPolarHBondContact O-CD 3.43Å; L79-Q137 HydrophobicContact CD2-CB 3.89Å; L79-I138 HydrophobicContact CD1-CD1 4.37Å; L79-I138 HydrophobicContact CD1-CG1 4.1Å; L79-I138 HydrophobicContact CD2-CG1 4.02Å; L79-F166 HydrophobicContact CD1-CB 4.37Å; L79-F166 HydrophobicContact CD1-CD1 4.36Å; L79-F166 HydrophobicContact CD1-CD2 3.57Å; L79-F166 HydrophobicContact CD1-CE2 3.84Å; L79-F166 HydrophobicContact CD1-CG 3.87Å; L79-F166 HydrophobicContact CD1-CZ 4.34Å; L79-F166 HydrophobicContact CD2-CD1 4.26Å; L79-F166 HydrophobicContact CD2-CE1 3.92Å; L79-F166 HydrophobicContact CD2-CE2 4.24Å; L79-F166 HydrophobicContact CD2-CZ 3.92Å; L79-F166 HydrophobicContact CG-CD1 3.98Å; L79-F166 HydrophobicContact CG-CD2 4.1Å; L79-F166 HydrophobicContact CG-CE1 4.16Å; L79-F166 HydrophobicContact CG-CE2 4.29Å; L79-F166 HydrophobicContact CG-CG 3.96Å; L79-F166 HydrophobicContact CG-CZ 4.32Å |
| 80 | K | 79.3 | Confident | 76.3 | Confident | 92 Ų | 92 | 54.7 Ų | 54.7 | 40% | 0.4 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 124.9 | 175.5 | -166.6 | -162.9 | 178 | -175.9 | 0 | 109 | I71 D72 F75 P76 | I71-K80 HydrophobicContact CG2-CG 4.09Å; D72-K80 WeakPolarHBondContact OD1-CE 3.48Å; D72-K80 IonicContact OD1-NZ 3.75Å; D72-K80 PolarHBondContact OD1-NZ 2.83Å; F75-K80 HydrophobicContact CB-CB 4.37Å; P76-K80 PolarHBondContact O-N 3.21Å; P76-K80 VanDerWaalsContact O-N 3.11Å |
| 81 | P | 82.9 | Confident | 76.8 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 151.8 | 172.3 | -17.7 | 30.4 | 0 | 0 | 0 | 111.2 | F75 L79 F85 L86 L130 | F75-P81 HydrophobicContact CE1-CG 4.35Å; L79-P81 WeakPolarHBondContact O-CD 3.43Å; P81-F85 HydrophobicContact CB-CD1 3.68Å; P81-F85 HydrophobicContact CB-CE1 4.31Å; P81-L86 HydrophobicContact CB-CD2 3.9Å; P81-L86 HydrophobicContact CB-CG 4.19Å; P81-L86 HydrophobicContact CG-CD2 4.12Å; P81-L130 HydrophobicContact CG-CD1 3.62Å |
| 82 | S | 82.1 | Confident | 77.2 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -68 | 150.3 | 172.5 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | Q84 F85 L86 | S82-Q84 VanDerWaalsContact C-N 3.28Å; S82-Q84 PolarHBondContact O-N 3.43Å; S82-F85 PolarHBondContact O-N 2.81Å; S82-F85 WeakPolarHBondContact OG-CB 3.44Å; S82-F85 PolarHBondContact OG-N 3.29Å; S82-L86 PolarHBondContact O-N 2.56Å |
| 83 | P | 80 | Confident | 78.1 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 56% | 0.558 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -53.2 | -48 | 174.9 | -26.3 | 35.1 | 0 | 0 | 0 | 111.6 | F85 L86 D87 | P83-F85 PolarHBondContact O-N 3.44Å; P83-F85 VanDerWaalsContact O-N 3.1Å; P83-L86 WeakPolarHBondContact O-CA 3.44Å; P83-L86 WeakPolarHBondContact O-CB 3.38Å; P83-L86 PolarHBondContact O-N 2.88Å; P83-D87 PolarHBondContact O-N 3.39Å; P83-D87 VanDerWaalsContact O-OD2 3.11Å |
| 84 | Q | 81.3 | Confident | 79.1 | Confident | 158 Ų | 158 | 54.8 Ų | 54.8 | 74% | 0.738 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -50.8 | -37.3 | 175.5 | -67.2 | 173.6 | -18.8 | 0 | 0 | 113.9 | S82 E88 | S82-Q84 VanDerWaalsContact C-N 3.28Å; S82-Q84 PolarHBondContact O-N 3.43Å; Q84-E88 VanDerWaalsContact O-CB 3.25Å; Q84-E88 WeakPolarHBondContact O-CB 3.38Å; Q84-E88 PolarHBondContact O-N 3.47Å |
| 85 | F | 85.9 | Confident | 79.9 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.8 | -38.4 | 176.4 | 171.8 | -92 | 0 | 0 | 0 | 112.1 | P81 S82 P83 E88 V89 H133 | P81-F85 HydrophobicContact CB-CD1 3.68Å; P81-F85 HydrophobicContact CB-CE1 4.31Å; S82-F85 PolarHBondContact O-N 2.81Å; S82-F85 WeakPolarHBondContact OG-CB 3.44Å; S82-F85 PolarHBondContact OG-N 3.29Å; P83-F85 PolarHBondContact O-N 3.44Å; P83-F85 VanDerWaalsContact O-N 3.1Å; F85-E88 PolarHBondContact O-N 3.06Å; F85-V89 HydrophobicContact CD1-CG2 4.31Å; F85-V89 HydrophobicContact CD2-CG2 4.24Å; F85-V89 HydrophobicContact CE1-CG2 3.85Å; F85-V89 HydrophobicContact CE2-CG2 3.77Å; F85-V89 HydrophobicContact CG-CG2 4.49Å; F85-V89 HydrophobicContact CZ-CG2 3.55Å; F85-V89 WeakPolarHBondContact O-CB 3.05Å; F85-V89 VanDerWaalsContact O-CG2 3.25Å; F85-V89 WeakPolarHBondContact O-CG2 2.97Å; F85-V89 PolarHBondContact O-N 3.19Å; F85-H133 AromaticContact CD1-CE1 3.97Å; F85-H133 AromaticContact CD1-ND1 3.63Å; F85-H133 AromaticContact CD2-ND1 3.62Å; F85-H133 HydrophobicContact CE1-CB 3.84Å; F85-H133 AromaticContact CE1-CG 3.69Å; F85-H133 AromaticContact CE1-ND1 3.34Å; F85-H133 VanDerWaalsContact CE1-ND1 3.34Å; F85-H133 WeakPolarHBondContact CE1-ND1 3.5Å; F85-H133 HydrophobicContact CE2-CB 4.49Å; F85-H133 AromaticContact CE2-ND1 3.33Å; F85-H133 VanDerWaalsContact CE2-ND1 3.33Å; F85-H133 WeakPolarHBondContact CE2-ND1 3.41Å; F85-H133 AromaticContact CG-CE1 3.94Å; F85-H133 AromaticContact CG-ND1 3.77Å; F85-H133 HydrophobicContact CZ-CB 3.63Å; F85-H133 AromaticContact CZ-CG 3.69Å; F85-H133 AromaticContact CZ-ND1 3.18Å; F85-H133 WeakPolarHBondContact CZ-ND1 3.36Å |
| 86 | L | 85.7 | Confident | 79.9 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.6 | -44 | 176.1 | -58.9 | 175.7 | 0 | 0 | 0 | 110.4 | I68 I71 P81 S82 P83 V89 Q90 F126 | I68-L86 HydrophobicContact CG2-CD1 4.44Å; I71-L86 HydrophobicContact CD1-CD1 4.14Å; I71-L86 HydrophobicContact CD1-CD2 3.63Å; P81-L86 HydrophobicContact CB-CD2 3.9Å; P81-L86 HydrophobicContact CB-CG 4.19Å; P81-L86 HydrophobicContact CG-CD2 4.12Å; S82-L86 PolarHBondContact O-N 2.56Å; P83-L86 WeakPolarHBondContact O-CA 3.44Å; P83-L86 WeakPolarHBondContact O-CB 3.38Å; P83-L86 PolarHBondContact O-N 2.88Å; L86-V89 PolarHBondContact O-N 3.19Å; L86-Q90 WeakPolarHBondContact O-CB 3.37Å; L86-Q90 PolarHBondContact O-N 2.77Å; L86-F126 HydrophobicContact CD2-CZ 4Å |
| 87 | D | 84.7 | Confident | 79.7 | Confident | 96 Ų | 96 | 70.4 Ų | 70.4 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.4 | -55.4 | -34.5 | 0 | 0 | 0 | 111.3 | P83 S91 | P83-D87 PolarHBondContact O-N 3.39Å; P83-D87 VanDerWaalsContact O-OD2 3.11Å; D87-S91 VanDerWaalsContact O-CB 3.27Å; D87-S91 WeakPolarHBondContact O-CB 3.28Å; D87-S91 PolarHBondContact O-N 3.16Å |
| 88 | E | 86.1 | Confident | 79.4 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 175.2 | -168 | -150 | 140.9 | 0 | 0 | 111.1 | Q84 F85 S91 H92 K99 | Q84-E88 VanDerWaalsContact O-CB 3.25Å; Q84-E88 WeakPolarHBondContact O-CB 3.38Å; Q84-E88 PolarHBondContact O-N 3.47Å; F85-E88 PolarHBondContact O-N 3.06Å; E88-S91 PolarHBondContact O-N 3.41Å; E88-H92 PolarHBondContact O-N 2.93Å; E88-H92 PolarHBondContact O-ND1 3.46Å; E88-H92 IonicContact OE1-CE1 3.31Å; E88-H92 PolarHBondContact OE1-CE1 2.95Å; E88-H92 IonicContact OE1-ND1 3.58Å; E88-K99 IonicContact OE1-NZ 2.73Å; E88-K99 PolarHBondContact OE1-NZ 3Å; E88-K99 IonicContact OE2-NZ 2.89Å |
| 89 | V | 84.9 | Confident | 79.3 | Confident | 6 Ų | 6 | 73 Ų | 73 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68 | -44.9 | -177.3 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | F85 L86 S91 H92 I93 F126 H129 | F85-V89 HydrophobicContact CD1-CG2 4.31Å; F85-V89 HydrophobicContact CD2-CG2 4.24Å; F85-V89 HydrophobicContact CE1-CG2 3.85Å; F85-V89 HydrophobicContact CE2-CG2 3.77Å; F85-V89 HydrophobicContact CG-CG2 4.49Å; F85-V89 HydrophobicContact CZ-CG2 3.55Å; F85-V89 WeakPolarHBondContact O-CB 3.05Å; F85-V89 VanDerWaalsContact O-CG2 3.25Å; F85-V89 WeakPolarHBondContact O-CG2 2.97Å; F85-V89 PolarHBondContact O-N 3.19Å; L86-V89 PolarHBondContact O-N 3.19Å; V89-S91 PolarHBondContact O-N 2.94Å; V89-H92 PolarHBondContact O-N 3.14Å; V89-I93 HydrophobicContact CG1-CD1 4.06Å; V89-I93 WeakPolarHBondContact O-CG1 3.4Å; V89-I93 PolarHBondContact O-N 3.46Å; V89-I93 VanDerWaalsContact O-N 3.11Å; V89-F126 HydrophobicContact CB-CE2 4.33Å; V89-F126 HydrophobicContact CG1-CD2 3.7Å; V89-F126 HydrophobicContact CG1-CE2 3.92Å; V89-H129 HydrophobicContact CG1-CB 3.61Å; V89-H129 HydrophobicContact CG2-CB 4.31Å |
| 90 | Q | 87.6 | Confident | 79.2 | Confident | 56 Ų | 56 | 79.3 Ų | 79.3 | 26% | 0.262 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 175.5 | 176.5 | 171.1 | -22 | 0 | 0 | 110.3 | I64 I68 L86 H92 I93 E94 F126 | I64-Q90 HydrophobicContact CG2-CB 4.5Å; I64-Q90 HydrophobicContact CG2-CG 4.36Å; I68-Q90 VanDerWaalsContact CD1-OE1 3.29Å; L86-Q90 WeakPolarHBondContact O-CB 3.37Å; L86-Q90 PolarHBondContact O-N 2.77Å; Q90-H92 VanDerWaalsContact C-N 3.31Å; Q90-H92 PolarHBondContact O-N 2.97Å; Q90-I93 PolarHBondContact O-N 3.16Å; Q90-I93 VanDerWaalsContact O-N 3.12Å; Q90-E94 HydrophobicContact CG-CG 4.35Å; Q90-E94 VanDerWaalsContact CG-OE1 3.26Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.41Å; Q90-E94 PolarHBondContact NE2-OE1 2.99Å; Q90-E94 WeakPolarHBondContact O-CG 3.42Å; Q90-E94 PolarHBondContact O-N 3.41Å; Q90-F126 HydrophobicContact CB-CE2 4.24Å |
| 91 | S | 84 | Confident | 79.3 | Confident | 33 Ų | 33 | 77 Ų | 77 | 23% | 0.231 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.7 | -30.1 | -178.5 | -153.4 | 0 | 0 | 0 | 0 | 113.2 | D87 E88 V89 K95 | D87-S91 VanDerWaalsContact O-CB 3.27Å; D87-S91 WeakPolarHBondContact O-CB 3.28Å; D87-S91 PolarHBondContact O-N 3.16Å; E88-S91 PolarHBondContact O-N 3.41Å; V89-S91 PolarHBondContact O-N 2.94Å; S91-K95 VanDerWaalsContact O-CB 3.25Å; S91-K95 WeakPolarHBondContact O-CB 3.41Å; S91-K95 VanDerWaalsContact O-CD 3.31Å; S91-K95 WeakPolarHBondContact O-CD 3.35Å; S91-K95 WeakPolarHBondContact O-CG 3.45Å; S91-K95 PolarHBondContact O-N 3.38Å; S91-K95 WeakPolarHBondContact OG-CE 3.19Å; S91-K95 PolarHBondContact OG-NZ 3.2Å |
| 92 | H | 82.8 | Confident | 79.3 | Confident | 58 Ų | 58 | 82.5 Ų | 82.5 | 27% | 0.269 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 171.5 | -85.6 | 85.7 | 0 | 0 | 0 | 112.7 | E88 V89 Q90 K95 G96 K97 | E88-H92 PolarHBondContact O-N 2.93Å; E88-H92 PolarHBondContact O-ND1 3.46Å; E88-H92 IonicContact OE1-CE1 3.31Å; E88-H92 PolarHBondContact OE1-CE1 2.95Å; E88-H92 IonicContact OE1-ND1 3.58Å; V89-H92 PolarHBondContact O-N 3.14Å; Q90-H92 VanDerWaalsContact C-N 3.31Å; Q90-H92 PolarHBondContact O-N 2.97Å; H92-K95 CarbonylContact O-C 3.47Å; H92-K95 PolarHBondContact O-N 3.43Å; H92-G96 PolarHBondContact O-N 3.4Å; H92-K97 PolarHBondContact O-N 3.44Å |
| 93 | I | 85.3 | Confident | 79.5 | Confident | 12 Ų | 12 | 80 Ų | 80 | 6% | 0.062 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.8 | -46.1 | 178.2 | -66.6 | 171.6 | 0 | 0 | 0 | 110.4 | I64 V89 Q90 K95 G96 N122 L125 F126 | I64-I93 HydrophobicContact CD1-CG2 4.35Å; V89-I93 HydrophobicContact CG1-CD1 4.06Å; V89-I93 WeakPolarHBondContact O-CG1 3.4Å; V89-I93 PolarHBondContact O-N 3.46Å; V89-I93 VanDerWaalsContact O-N 3.11Å; Q90-I93 PolarHBondContact O-N 3.16Å; Q90-I93 VanDerWaalsContact O-N 3.12Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 3.1Å; I93-G96 PolarHBondContact O-N 2.91Å; I93-N122 HydrophobicContact CG2-CB 3.81Å; I93-L125 HydrophobicContact CD1-CB 4.31Å; I93-L125 HydrophobicContact CD1-CD2 4.45Å; I93-L125 HydrophobicContact CD1-CG 4.07Å; I93-L125 HydrophobicContact CG1-CD2 3.98Å; I93-L125 HydrophobicContact CG1-CG 4.1Å; I93-L125 HydrophobicContact CG2-CD2 4.47Å; I93-F126 HydrophobicContact CD1-CB 3.71Å; I93-F126 HydrophobicContact CD1-CD2 4.01Å; I93-F126 HydrophobicContact CD1-CG 4.36Å |
| 94 | E | 81.5 | Confident | 79.7 | Confident | 124 Ų | 124 | 78.2 Ų | 78.2 | 58% | 0.579 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.3 | -38.5 | 175.3 | -70.6 | 169.3 | 174.4 | 0 | 0 | 112.4 | Q90 G96 | Q90-E94 HydrophobicContact CG-CG 4.35Å; Q90-E94 VanDerWaalsContact CG-OE1 3.26Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.41Å; Q90-E94 PolarHBondContact NE2-OE1 2.99Å; Q90-E94 WeakPolarHBondContact O-CG 3.42Å; Q90-E94 PolarHBondContact O-N 3.41Å; E94-G96 VanDerWaalsContact C-N 3.25Å; E94-G96 PolarHBondContact O-N 2.69Å |
| 95 | K | 78 | Confident | 79.8 | Confident | 144 Ų | 144 | 71.7 Ų | 71.7 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 5.3 | 176.3 | -67.9 | 165 | -177.8 | 153.5 | 0 | 113.6 | S91 H92 I93 K97 | S91-K95 VanDerWaalsContact O-CB 3.25Å; S91-K95 WeakPolarHBondContact O-CB 3.41Å; S91-K95 VanDerWaalsContact O-CD 3.31Å; S91-K95 WeakPolarHBondContact O-CD 3.35Å; S91-K95 WeakPolarHBondContact O-CG 3.45Å; S91-K95 PolarHBondContact O-N 3.38Å; S91-K95 WeakPolarHBondContact OG-CE 3.19Å; S91-K95 PolarHBondContact OG-NZ 3.2Å; H92-K95 CarbonylContact O-C 3.47Å; H92-K95 PolarHBondContact O-N 3.43Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 3.1Å; K95-K97 HydrophobicContact CB-CG 4.45Å; K95-K97 PolarHBondContact O-N 3.17Å; K95-K97 VanDerWaalsContact O-N 3.11Å |
| 96 | G | 70.2 | Confident | 79.7 | Confident | 59 Ų | 59 | 74.6 Ų | 74.6 | 61% | 0.608 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 8.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H92 I93 E94 R98 | H92-G96 PolarHBondContact O-N 3.4Å; I93-G96 PolarHBondContact O-N 2.91Å; E94-G96 VanDerWaalsContact C-N 3.25Å; E94-G96 PolarHBondContact O-N 2.69Å; G96-R98 PolarHBondContact O-N 2.99Å; G96-R98 VanDerWaalsContact O-N 3.13Å |
| 97 | K | 60.7 | Low | 79.6 | Confident | 145 Ų | 145 | 80 Ų | 80 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | trans | -83.2 | 90 | -175 | -72.2 | -168.7 | 176.1 | -172.6 | 0 | 110.7 | H92 K95 K99 | H92-K97 PolarHBondContact O-N 3.44Å; K95-K97 HydrophobicContact CB-CG 4.45Å; K95-K97 PolarHBondContact O-N 3.17Å; K95-K97 VanDerWaalsContact O-N 3.11Å; K97-K99 PolarHBondContact O-N 2.92Å | ||
| 98 | R | 59.9 | Low | 79.4 | Confident | 181 Ų | 181 | 75.5 Ų | 75.5 | 68% | 0.683 | 38% | 0.376 | S | S | * | . | trans | -64.4 | 94.2 | 173.9 | -64.3 | -174.7 | -178.2 | -154.9 | -0.9 | 111.4 | G96 | G96-R98 PolarHBondContact O-N 2.99Å; G96-R98 VanDerWaalsContact O-N 3.13Å | ||
| 99 | K | 66.2 | Low | 79.4 | Confident | 100 Ų | 100 | 73.9 Ų | 73.9 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | trans | -60.5 | 133.1 | 165.5 | -167.1 | 172.7 | -171.2 | 172.8 | 0 | 108.3 | E88 K97 L101 | E88-K99 IonicContact OE1-NZ 2.73Å; E88-K99 PolarHBondContact OE1-NZ 3Å; E88-K99 IonicContact OE2-NZ 2.89Å; K97-K99 PolarHBondContact O-N 2.92Å; K99-L101 PolarHBondContact O-N 3.33Å; K99-L101 VanDerWaalsContact O-N 3.16Å | ||
| 100 | T | 73.7 | Confident | 79.3 | Confident | 134 Ų | 134 | 77 Ų | 77 | 82% | 0.822 | 39% | 0.389 | S | S | * | . | trans | -66.1 | 113.6 | -174.8 | 47.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 101 | L | 80.9 | Confident | 78.9 | Confident | 44 Ų | 44 | 75 Ų | 75 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | trans | -93.5 | 146.1 | 176.8 | -75.2 | 161.9 | 0 | 0 | 0 | 111.2 | K99 I103 A105 L125 T128 H129 E132 | K99-L101 PolarHBondContact O-N 3.33Å; K99-L101 VanDerWaalsContact O-N 3.16Å; L101-I103 WeakPolarHBondContact CB-O 3.44Å; L101-A105 HydrophobicContact CD1-CB 4.44Å; L101-L125 HydrophobicContact CD1-CD1 4.01Å; L101-T128 HydrophobicContact CD1-CG2 3.8Å; L101-H129 WeakPolarHBondContact CD2-ND1 3.46Å; L101-E132 HydrophobicContact CD2-CB 3.93Å; L101-E132 VanDerWaalsContact CD2-CD 3.43Å; L101-E132 HydrophobicContact CD2-CG 4.26Å; L101-E132 WeakPolarHBondContact CD2-OE2 3.43Å | ||
| 102 | Y | 83.6 | Confident | 78.8 | Confident | 117 Ų | 117 | 73.4 Ų | 73.4 | 46% | 0.459 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -76 | -31.1 | 164.7 | -64.9 | -79.7 | 0 | 0 | 0 | 111.8 | R20 L21 V24 E132 | R20-Y102 HydrophobicContact CB-CD1 3.75Å; R20-Y102 HydrophobicContact CB-CE1 4.14Å; R20-Y102 HydrophobicContact CB-CG 4.4Å; R20-Y102 HydrophobicContact CG-CD1 4.37Å; L21-Y102 HydrophobicContact CD2-CD2 3.8Å; L21-Y102 HydrophobicContact CD2-CE2 4.23Å; V24-Y102 HydrophobicContact CG2-CE1 4.48Å; V24-Y102 WeakPolarHBondContact CG2-OH 3.35Å; Y102-E132 WeakPolarHBondContact CA-OE2 3.16Å; Y102-E132 WeakPolarHBondContact CD2-OE1 3.21Å; Y102-E132 VanDerWaalsContact N-CD 3.33Å; Y102-E132 PolarHBondContact N-OE1 3.47Å; Y102-E132 VanDerWaalsContact N-OE1 3.15Å; Y102-E132 PolarHBondContact N-OE2 3.39Å |
| 103 | I | 86.1 | Confident | 78.6 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -81.8 | 126.7 | 174.1 | -55.2 | 174.2 | 0 | 0 | 0 | 110.1 | L14 P17 L101 A105 V108 T128 M131 E132 M135 | L14-I103 HydrophobicContact CD2-CD1 3.86Å; L14-I103 HydrophobicContact CD2-CG1 4.09Å; L14-I103 HydrophobicContact CD2-CG2 3.98Å; P17-I103 HydrophobicContact CB-CG1 3.78Å; P17-I103 HydrophobicContact CG-CG1 4.03Å; L101-I103 WeakPolarHBondContact CB-O 3.44Å; I103-A105 PolarHBondContact O-N 2.86Å; I103-V108 HydrophobicContact CG2-CG2 3.55Å; I103-T128 HydrophobicContact CB-CG2 3.87Å; I103-T128 HydrophobicContact CG2-CG2 3.73Å; I103-M131 HydrophobicContact CD1-CB 3.77Å; I103-E132 HydrophobicContact CD1-CB 3.82Å; I103-E132 HydrophobicContact CD1-CG 4.39Å; I103-E132 HydrophobicContact CG1-CB 4.34Å; I103-E132 HydrophobicContact CG1-CG 4.48Å; I103-E132 WeakPolarHBondContact CG1-OE2 3.37Å; I103-E132 PolarHBondContact N-OE2 2.96Å; I103-M135 HydrophobicContact CD1-CE 3.9Å; I103-M135 HydrophobicContact CG1-CE 4.16Å |
| 104 | S | 84.6 | Confident | 78.2 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 34% | 0.343 | 41% | 0.406 | S | S | . | . | trans | -71.2 | 99.9 | 178.8 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | D106 K107 V108 | S104-D106 VanDerWaalsContact C-N 3.3Å; S104-D106 PolarHBondContact O-N 3.36Å; S104-K107 PolarHBondContact O-N 3.15Å; S104-K107 VanDerWaalsContact O-N 3.14Å; S104-V108 PolarHBondContact O-N 3.44Å | ||
| 105 | A | 84.2 | Confident | 77.7 | Confident | 21 Ų | 21 | 75.6 Ų | 75.6 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.1 | -38.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | L101 I103 K107 V108 F109 L125 T128 | L101-A105 HydrophobicContact CD1-CB 4.44Å; I103-A105 PolarHBondContact O-N 2.86Å; A105-K107 VanDerWaalsContact C-N 3.32Å; A105-K107 PolarHBondContact O-N 3.4Å; A105-V108 PolarHBondContact O-N 2.91Å; A105-F109 WeakPolarHBondContact O-CB 3.37Å; A105-F109 PolarHBondContact O-N 2.94Å; A105-L125 HydrophobicContact CB-CD1 3.85Å; A105-T128 HydrophobicContact CB-CG2 4.15Å |
| 106 | D | 83.1 | Confident | 77.7 | Confident | 99 Ų | 99 | 69.4 Ų | 69.4 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.5 | -33.9 | 179.8 | -49.1 | -71.9 | 0 | 0 | 0 | 112.3 | S104 S110 | S104-D106 VanDerWaalsContact C-N 3.3Å; S104-D106 PolarHBondContact O-N 3.36Å; D106-S110 WeakPolarHBondContact O-CB 3.4Å; D106-S110 PolarHBondContact O-N 3.14Å; D106-S110 PolarHBondContact O-OG 3.14Å |
| 107 | K | 82.6 | Confident | 78 | Confident | 126 Ų | 126 | 71.8 Ų | 71.8 | 55% | 0.548 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.2 | -44 | 172.5 | -68.1 | -177.7 | -177.5 | -178.6 | 0 | 111.2 | L13 S104 A105 F109 S110 C111 | L13-K107 HydrophobicContact CD1-CB 3.69Å; L13-K107 HydrophobicContact CD1-CD 3.69Å; L13-K107 HydrophobicContact CD1-CG 4.34Å; S104-K107 PolarHBondContact O-N 3.15Å; S104-K107 VanDerWaalsContact O-N 3.14Å; A105-K107 VanDerWaalsContact C-N 3.32Å; A105-K107 PolarHBondContact O-N 3.4Å; K107-F109 VanDerWaalsContact C-N 3.32Å; K107-F109 PolarHBondContact O-N 2.91Å; K107-S110 WeakPolarHBondContact O-CB 3.35Å; K107-S110 PolarHBondContact O-N 3.26Å; K107-C111 PolarHBondContact O-N 3.41Å; K107-C111 PolarHBondContact O-SG 3.08Å; K107-C111 VanDerWaalsContact O-SG 3.36Å |
| 108 | V | 82.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | L13 I103 S104 A105 C111 F112 T128 M131 | L13-V108 HydrophobicContact CD2-CG2 3.84Å; I103-V108 HydrophobicContact CG2-CG2 3.55Å; S104-V108 PolarHBondContact O-N 3.44Å; A105-V108 PolarHBondContact O-N 2.91Å; V108-C111 WeakPolarHBondContact O-CB 3.45Å; V108-C111 PolarHBondContact O-N 2.93Å; V108-F112 HydrophobicContact CG1-CD2 3.53Å; V108-F112 HydrophobicContact CG1-CE2 3.36Å; V108-F112 VanDerWaalsContact O-CD2 3.27Å; V108-F112 WeakPolarHBondContact O-CD2 3.48Å; V108-F112 PolarHBondContact O-N 3.27Å; V108-T128 WeakPolarHBondContact CG1-OG1 3.3Å; V108-T128 HydrophobicContact CG2-CG2 4.24Å; V108-M131 HydrophobicContact CG1-SD 4.23Å |
| 109 | F | 84.8 | Confident | 79.7 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 18% | 0.184 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 174.5 | -178.6 | -134 | 0 | 0 | 0 | 112.8 | A105 K107 F112 K113 M119 S124 | A105-F109 WeakPolarHBondContact O-CB 3.37Å; A105-F109 PolarHBondContact O-N 2.94Å; K107-F109 VanDerWaalsContact C-N 3.32Å; K107-F109 PolarHBondContact O-N 2.91Å; F109-F112 PolarHBondContact O-N 3.43Å; F109-K113 HydrophobicContact CD2-CD 4.5Å; F109-K113 HydrophobicContact CD2-CG 4.38Å; F109-K113 HydrophobicContact CE1-CD 4.14Å; F109-K113 HydrophobicContact CE2-CD 3.98Å; F109-K113 HydrophobicContact CE2-CG 4.06Å; F109-K113 HydrophobicContact CZ-CD 3.8Å; F109-K113 HydrophobicContact CZ-CG 4.4Å; F109-K113 WeakPolarHBondContact O-CB 3.17Å; F109-K113 PolarHBondContact O-N 2.76Å; F109-M119 WeakPolarHBondContact CE2-O 3.3Å; F109-S124 WeakPolarHBondContact CA-OG 3.42Å; F109-S124 PolarHBondContact N-OG 3.04Å |
| 110 | S | 82.9 | Confident | 80.5 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 49% | 0.49 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 173.5 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | D106 K107 K113 L114 | D106-S110 WeakPolarHBondContact O-CB 3.4Å; D106-S110 PolarHBondContact O-N 3.14Å; D106-S110 PolarHBondContact O-OG 3.14Å; K107-S110 WeakPolarHBondContact O-CB 3.35Å; K107-S110 PolarHBondContact O-N 3.26Å; S110-K113 PolarHBondContact O-N 3.28Å; S110-L114 WeakPolarHBondContact O-CG 3.48Å; S110-L114 PolarHBondContact O-N 2.88Å |
| 111 | C | 79.4 | Confident | 81 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 10% | 0.095 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 174 | -71.4 | 0 | 0 | 0 | 0 | 112.2 | I8 F9 K107 V108 L114 | I8-C111 HydrophobicContact CG2-CB 3.5Å; F9-C111 HydrophobicContact CE1-CB 3.97Å; F9-C111 HydrophobicContact CE2-CB 4.13Å; F9-C111 HydrophobicContact CZ-CB 3.74Å; K107-C111 PolarHBondContact O-N 3.41Å; K107-C111 PolarHBondContact O-SG 3.08Å; K107-C111 VanDerWaalsContact O-SG 3.36Å; V108-C111 WeakPolarHBondContact O-CB 3.45Å; V108-C111 PolarHBondContact O-N 2.93Å; C111-L114 PolarHBondContact O-N 3.5Å |
| 112 | F | 80.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 177.9 | -80.5 | -59.2 | 0 | 0 | 0 | 112.9 | F5 F9 V52 V108 F109 L114 V115 F116 M119 L127 | F5-F112 AromaticContact CE1-CE1 4Å; F5-F112 HydrophobicContact CE1-CE1 4Å; F5-F112 HydrophobicContact CZ-CD1 4.36Å; F5-F112 AromaticContact CZ-CE1 3.93Å; F5-F112 HydrophobicContact CZ-CE1 3.93Å; F9-F112 HydrophobicContact CZ-CE1 4.35Å; F9-F112 HydrophobicContact CZ-CE2 4.42Å; F9-F112 HydrophobicContact CZ-CZ 4.26Å; V52-F112 HydrophobicContact CG1-CE1 4.18Å; V52-F112 HydrophobicContact CG1-CZ 3.66Å; V108-F112 HydrophobicContact CG1-CD2 3.53Å; V108-F112 HydrophobicContact CG1-CE2 3.36Å; V108-F112 VanDerWaalsContact O-CD2 3.27Å; V108-F112 WeakPolarHBondContact O-CD2 3.48Å; V108-F112 PolarHBondContact O-N 3.27Å; F109-F112 PolarHBondContact O-N 3.43Å; F112-L114 VanDerWaalsContact C-N 3.26Å; F112-L114 PolarHBondContact O-N 2.79Å; F112-V115 PolarHBondContact O-N 2.73Å; F112-F116 HydrophobicContact CD1-CD2 4.34Å; F112-F116 PolarHBondContact O-N 2.99Å; F112-M119 HydrophobicContact CB-CE 3.96Å; F112-M119 HydrophobicContact CB-CG 4.16Å; F112-M119 HydrophobicContact CD1-CE 3.82Å; F112-M119 HydrophobicContact CE1-CE 4.48Å; F112-M119 HydrophobicContact CG-CE 3.93Å; F112-L127 HydrophobicContact CD2-CD1 4.35Å; F112-L127 HydrophobicContact CE1-CD1 4.05Å; F112-L127 HydrophobicContact CE2-CB 3.86Å; F112-L127 HydrophobicContact CE2-CD1 3.8Å; F112-L127 HydrophobicContact CE2-CG 4.46Å; F112-L127 HydrophobicContact CZ-CB 4.14Å; F112-L127 HydrophobicContact CZ-CD1 3.64Å; F112-L127 HydrophobicContact CZ-CG 4.41Å |
| 113 | K | 80.1 | Confident | 81.5 | Confident | 95 Ų | 95 | 61.4 Ų | 61.4 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.9 | -29.6 | 177.3 | -95.3 | -175 | 164.2 | 177.4 | 0 | 113.9 | F109 S110 V115 F116 P117 | F109-K113 HydrophobicContact CD2-CD 4.5Å; F109-K113 HydrophobicContact CD2-CG 4.38Å; F109-K113 HydrophobicContact CE1-CD 4.14Å; F109-K113 HydrophobicContact CE2-CD 3.98Å; F109-K113 HydrophobicContact CE2-CG 4.06Å; F109-K113 HydrophobicContact CZ-CD 3.8Å; F109-K113 HydrophobicContact CZ-CG 4.4Å; F109-K113 WeakPolarHBondContact O-CB 3.17Å; F109-K113 PolarHBondContact O-N 2.76Å; S110-K113 PolarHBondContact O-N 3.28Å; K113-V115 VanDerWaalsContact C-N 3.3Å; K113-F116 CarbonylContact O-C 3.57Å; K113-P117 WeakPolarHBondContact O-CA 3.19Å |
| 114 | L | 76.1 | Confident | 81.5 | Confident | 127 Ų | 127 | 61.4 Ų | 61.4 | 67% | 0.665 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.9 | -26.7 | 174.2 | -71.7 | 169.4 | 0 | 0 | 0 | 113 | I8 S110 C111 F112 | I8-L114 HydrophobicContact CD1-CB 3.63Å; I8-L114 HydrophobicContact CD1-CD1 4.46Å; I8-L114 HydrophobicContact CG1-CB 4.48Å; I8-L114 HydrophobicContact CG1-CD1 4.47Å; I8-L114 HydrophobicContact CG2-CD1 4.41Å; S110-L114 WeakPolarHBondContact O-CG 3.48Å; S110-L114 PolarHBondContact O-N 2.88Å; C111-L114 PolarHBondContact O-N 3.5Å; F112-L114 VanDerWaalsContact C-N 3.26Å; F112-L114 PolarHBondContact O-N 2.79Å |
| 115 | V | 70.2 | Confident | 81.7 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 11% | 0.109 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -92.7 | -38.1 | 174.6 | -174 | 0 | 0 | 0 | 0 | 111.7 | F5 I8 F112 K113 | F5-V115 HydrophobicContact CD2-CG1 3.96Å; F5-V115 HydrophobicContact CD2-CG2 4.39Å; F5-V115 HydrophobicContact CE2-CG1 3.86Å; I8-V115 HydrophobicContact CD1-CG2 3.62Å; F112-V115 PolarHBondContact O-N 2.73Å; K113-V115 VanDerWaalsContact C-N 3.3Å |
| 116 | F | 78.2 | Confident | 82 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 7% | 0.066 | 30% | 0.3 | C | S | . | . | trans | -131.7 | 86.5 | -172.6 | -58.2 | -61.4 | 0 | 0 | 0 | 110 | F5 C56 A60 F112 K113 R118 M119 | F5-F116 AromaticContact CE2-CE2 3.71Å; F5-F116 HydrophobicContact CE2-CE2 3.71Å; F5-F116 AromaticContact CE2-CZ 3.97Å; F5-F116 HydrophobicContact CE2-CZ 3.97Å; F5-F116 AromaticContact CZ-CE2 3.92Å; F5-F116 HydrophobicContact CZ-CE2 3.92Å; C56-F116 HydrophobicContact CB-CE2 3.77Å; C56-F116 HydrophobicContact CB-CZ 3.83Å; A60-F116 HydrophobicContact CB-CB 4.34Å; A60-F116 HydrophobicContact CB-CD1 3.41Å; A60-F116 VanDerWaalsContact CB-CD1 3.41Å; A60-F116 HydrophobicContact CB-CE1 3.8Å; A60-F116 HydrophobicContact CB-CG 3.97Å; F112-F116 HydrophobicContact CD1-CD2 4.34Å; F112-F116 PolarHBondContact O-N 2.99Å; K113-F116 CarbonylContact O-C 3.57Å; F116-R118 PolarHBondContact O-N 3.11Å; F116-M119 HydrophobicContact CB-CB 4.2Å; F116-M119 HydrophobicContact CB-CE 4.31Å; F116-M119 HydrophobicContact CD2-CE 3.72Å; F116-M119 HydrophobicContact CE2-CE 4.46Å; F116-M119 HydrophobicContact CG-CE 4.35Å; F116-M119 WeakPolarHBondContact O-CB 3.45Å; F116-M119 PolarHBondContact O-N 3.35Å | ||
| 117 | P | 76.4 | Confident | 82.2 | Confident | 108 Ų | 108 | 54.8 Ų | 54.8 | 70% | 0.701 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -15.7 | -173.8 | -28.3 | 36.7 | 0 | 0 | 0 | 115.9 | K113 | K113-P117 WeakPolarHBondContact O-CA 3.19Š|
| 118 | R | 77.1 | Confident | 82.6 | Confident | 243 Ų | 243 | 48.8 Ų | 48.8 | 92% | 0.917 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 6.7 | 177.9 | -64.3 | -175.1 | 178 | -179.8 | -1.1 | 114.3 | F116 E120 | F116-R118 PolarHBondContact O-N 3.11Å; R118-E120 PolarHBondContact O-N 2.97Å |
| 119 | M | 80.4 | Confident | 82.9 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | trans | -58 | 128.2 | 176.9 | -175.1 | 72.5 | 82 | 0 | 0 | 110.8 | P61 F109 F112 F116 V123 L127 | P61-M119 HydrophobicContact CG-CE 4.04Å; P61-M119 HydrophobicContact CG-SD 4.26Å; F109-M119 WeakPolarHBondContact CE2-O 3.3Å; F112-M119 HydrophobicContact CB-CE 3.96Å; F112-M119 HydrophobicContact CB-CG 4.16Å; F112-M119 HydrophobicContact CD1-CE 3.82Å; F112-M119 HydrophobicContact CE1-CE 4.48Å; F112-M119 HydrophobicContact CG-CE 3.93Å; F116-M119 HydrophobicContact CB-CB 4.2Å; F116-M119 HydrophobicContact CB-CE 4.31Å; F116-M119 HydrophobicContact CD2-CE 3.72Å; F116-M119 HydrophobicContact CE2-CE 4.46Å; F116-M119 HydrophobicContact CG-CE 4.35Å; F116-M119 WeakPolarHBondContact O-CB 3.45Å; F116-M119 PolarHBondContact O-N 3.35Å; M119-V123 HydrophobicContact SD-CB 4.09Å; M119-V123 HydrophobicContact SD-CG1 3.57Å; M119-V123 VanDerWaalsContact SD-CG1 3.57Å; M119-L127 HydrophobicContact CE-CD1 4.03Å; M119-L127 HydrophobicContact SD-CD1 4.5Å | ||
| 120 | E | 83 | Confident | 83.1 | Confident | 111 Ų | 111 | 47.7 Ų | 47.7 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | trans | -76.4 | 151.5 | 173.6 | -64 | -160 | 158.1 | 0 | 0 | 112.3 | R118 N122 V123 S124 | R118-E120 PolarHBondContact O-N 2.97Å; E120-N122 VanDerWaalsContact C-N 3.31Å; E120-N122 PolarHBondContact O-N 3.09Å; E120-V123 HydrophobicContact CB-CB 4.27Å; E120-V123 HydrophobicContact CB-CG2 3.96Å; E120-V123 PolarHBondContact O-N 3.33Å; E120-S124 PolarHBondContact O-N 3.39Å | ||
| 121 | S | 84.7 | Confident | 83.4 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 43% | 0.434 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 177.7 | -165.3 | 0 | 0 | 0 | 0 | 111.9 | S124 L125 | S121-S124 PolarHBondContact O-N 3.01Å; S121-L125 WeakPolarHBondContact O-CB 3.3Å; S121-L125 PolarHBondContact O-N 2.6Å |
| 122 | N | 86.5 | Confident | 83.9 | Confident | 80 Ų | 80 | 44.9 Ų | 44.9 | 43% | 0.428 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.8 | -42.2 | -178.4 | -66.1 | -3.1 | 0 | 0 | 0 | 111.8 | I93 E120 L125 F126 | I93-N122 HydrophobicContact CG2-CB 3.81Å; E120-N122 VanDerWaalsContact C-N 3.31Å; E120-N122 PolarHBondContact O-N 3.09Å; N122-L125 PolarHBondContact O-N 3.33Å; N122-F126 PolarHBondContact O-N 3.06Å |
| 123 | V | 87.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | P61 I64 I67 M119 E120 F126 L127 | P61-V123 HydrophobicContact CB-CG1 4.08Å; P61-V123 HydrophobicContact CG-CG1 4.1Å; I64-V123 HydrophobicContact CG1-CG2 4.44Å; I67-V123 HydrophobicContact CD1-CG1 3.56Å; I67-V123 HydrophobicContact CG1-CG1 4.5Å; M119-V123 HydrophobicContact SD-CB 4.09Å; M119-V123 HydrophobicContact SD-CG1 3.57Å; M119-V123 VanDerWaalsContact SD-CG1 3.57Å; E120-V123 HydrophobicContact CB-CB 4.27Å; E120-V123 HydrophobicContact CB-CG2 3.96Å; E120-V123 PolarHBondContact O-N 3.33Å; V123-F126 PolarHBondContact O-N 3.34Å; V123-L127 WeakPolarHBondContact O-CG 3.42Å; V123-L127 PolarHBondContact O-N 3.35Å |
| 124 | S | 87.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.7 | -33.3 | 174.9 | -172.6 | 0 | 0 | 0 | 0 | 113.8 | F109 E120 S121 T128 | F109-S124 WeakPolarHBondContact CA-OG 3.42Å; F109-S124 PolarHBondContact N-OG 3.04Å; E120-S124 PolarHBondContact O-N 3.39Å; S121-S124 PolarHBondContact O-N 3.01Å; S124-T128 PolarHBondContact O-N 3.19Å; S124-T128 PolarHBondContact O-OG1 3.02Å |
| 125 | L | 88.6 | Confident | 85.3 | Confident | 28 Ų | 28 | 35.9 Ų | 35.9 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.8 | -41.6 | 175.3 | -178.2 | 57.6 | 0 | 0 | 0 | 110.7 | I93 L101 A105 S121 N122 T128 H129 | I93-L125 HydrophobicContact CD1-CB 4.31Å; I93-L125 HydrophobicContact CD1-CD2 4.45Å; I93-L125 HydrophobicContact CD1-CG 4.07Å; I93-L125 HydrophobicContact CG1-CD2 3.98Å; I93-L125 HydrophobicContact CG1-CG 4.1Å; I93-L125 HydrophobicContact CG2-CD2 4.47Å; L101-L125 HydrophobicContact CD1-CD1 4.01Å; A105-L125 HydrophobicContact CB-CD1 3.85Å; S121-L125 WeakPolarHBondContact O-CB 3.3Å; S121-L125 PolarHBondContact O-N 2.6Å; N122-L125 PolarHBondContact O-N 3.33Å; L125-T128 WeakPolarHBondContact O-CA 3.28Å; L125-T128 WeakPolarHBondContact O-CB 3.49Å; L125-T128 PolarHBondContact O-N 2.96Å; L125-H129 PolarHBondContact O-CD2 2.89Å; L125-H129 VanDerWaalsContact O-CD2 3.24Å; L125-H129 PolarHBondContact O-N 3.13Å |
| 126 | F | 89.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 173.1 | -170.2 | -89.5 | 0 | 0 | 0 | 111.5 | I64 I67 I68 I71 L86 V89 Q90 I93 N122 V123 T128 H129 L130 | I64-F126 HydrophobicContact CD1-CB 4.16Å; I64-F126 HydrophobicContact CD1-CD2 4.14Å; I64-F126 HydrophobicContact CD1-CG 4.37Å; I64-F126 HydrophobicContact CG1-CB 4.07Å; I64-F126 HydrophobicContact CG1-CD2 4.33Å; I64-F126 HydrophobicContact CG1-CG 4.2Å; I64-F126 HydrophobicContact CG2-CD1 4.13Å; I64-F126 HydrophobicContact CG2-CD2 3.54Å; I64-F126 HydrophobicContact CG2-CE1 4.12Å; I64-F126 HydrophobicContact CG2-CE2 3.55Å; I64-F126 HydrophobicContact CG2-CG 3.85Å; I64-F126 HydrophobicContact CG2-CZ 3.84Å; I67-F126 HydrophobicContact CB-CD1 4.27Å; I67-F126 HydrophobicContact CB-CE1 4.19Å; I67-F126 HydrophobicContact CD1-CD1 4Å; I67-F126 HydrophobicContact CG2-CD1 3.99Å; I67-F126 HydrophobicContact CG2-CE1 3.81Å; I68-F126 HydrophobicContact CD1-CE2 4.47Å; I68-F126 HydrophobicContact CD1-CZ 4.06Å; I68-F126 HydrophobicContact CG1-CE1 4.18Å; I68-F126 HydrophobicContact CG1-CZ 3.71Å; I71-F126 HydrophobicContact CD1-CE1 4.39Å; L86-F126 HydrophobicContact CD2-CZ 4Å; V89-F126 HydrophobicContact CB-CE2 4.33Å; V89-F126 HydrophobicContact CG1-CD2 3.7Å; V89-F126 HydrophobicContact CG1-CE2 3.92Å; Q90-F126 HydrophobicContact CB-CE2 4.24Å; I93-F126 HydrophobicContact CD1-CB 3.71Å; I93-F126 HydrophobicContact CD1-CD2 4.01Å; I93-F126 HydrophobicContact CD1-CG 4.36Å; N122-F126 PolarHBondContact O-N 3.06Å; V123-F126 PolarHBondContact O-N 3.34Å; F126-T128 VanDerWaalsContact C-N 3.26Å; F126-T128 PolarHBondContact O-N 2.64Å; F126-H129 PolarHBondContact O-N 2.88Å; F126-L130 WeakPolarHBondContact O-CB 3.15Å; F126-L130 PolarHBondContact O-N 3.32Å |
| 127 | L | 88 | Confident | 86.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.1 | -35.6 | 172.4 | -70.8 | 171.6 | 0 | 0 | 0 | 112.4 | L55 P61 I67 F112 M119 V123 L130 M131 | L55-L127 HydrophobicContact CD1-CD2 4.36Å; P61-L127 HydrophobicContact CG-CD1 4.47Å; I67-L127 HydrophobicContact CD1-CD1 4.18Å; I67-L127 HydrophobicContact CD1-CD2 3.7Å; I67-L127 HydrophobicContact CD1-CG 3.63Å; I67-L127 HydrophobicContact CG1-CD2 4.2Å; I67-L127 HydrophobicContact CG2-CD2 4.02Å; F112-L127 HydrophobicContact CD2-CD1 4.35Å; F112-L127 HydrophobicContact CE1-CD1 4.05Å; F112-L127 HydrophobicContact CE2-CB 3.86Å; F112-L127 HydrophobicContact CE2-CD1 3.8Å; F112-L127 HydrophobicContact CE2-CG 4.46Å; F112-L127 HydrophobicContact CZ-CB 4.14Å; F112-L127 HydrophobicContact CZ-CD1 3.64Å; F112-L127 HydrophobicContact CZ-CG 4.41Å; M119-L127 HydrophobicContact CE-CD1 4.03Å; M119-L127 HydrophobicContact SD-CD1 4.5Å; V123-L127 WeakPolarHBondContact O-CG 3.42Å; V123-L127 PolarHBondContact O-N 3.35Å; L127-L130 PolarHBondContact O-N 2.91Å; L127-M131 WeakPolarHBondContact O-CB 3.25Å; L127-M131 WeakPolarHBondContact O-CG 3.47Å; L127-M131 PolarHBondContact O-N 3.14Å |
| 128 | T | 89.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.5 | -44.2 | 177.1 | -49.5 | 0 | 0 | 0 | 0 | 111.9 | L101 I103 A105 V108 S124 L125 F126 L130 M131 E132 | L101-T128 HydrophobicContact CD1-CG2 3.8Å; I103-T128 HydrophobicContact CB-CG2 3.87Å; I103-T128 HydrophobicContact CG2-CG2 3.73Å; A105-T128 HydrophobicContact CB-CG2 4.15Å; V108-T128 WeakPolarHBondContact CG1-OG1 3.3Å; V108-T128 HydrophobicContact CG2-CG2 4.24Å; S124-T128 PolarHBondContact O-N 3.19Å; S124-T128 PolarHBondContact O-OG1 3.02Å; L125-T128 WeakPolarHBondContact O-CA 3.28Å; L125-T128 WeakPolarHBondContact O-CB 3.49Å; L125-T128 PolarHBondContact O-N 2.96Å; F126-T128 VanDerWaalsContact C-N 3.26Å; F126-T128 PolarHBondContact O-N 2.64Å; T128-L130 VanDerWaalsContact C-N 3.3Å; T128-L130 PolarHBondContact O-N 2.81Å; T128-M131 PolarHBondContact O-N 3.21Å; T128-E132 PolarHBondContact O-N 3.34Å |
| 129 | H | 89 | Confident | 87.8 | Confident | 14 Ų | 14 | 21.2 Ų | 21.2 | 7% | 0.065 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 172.9 | -76.1 | -70.3 | 0 | 0 | 0 | 112.1 | V89 L101 L125 F126 E132 H133 | V89-H129 HydrophobicContact CG1-CB 3.61Å; V89-H129 HydrophobicContact CG2-CB 4.31Å; L101-H129 WeakPolarHBondContact CD2-ND1 3.46Å; L125-H129 PolarHBondContact O-CD2 2.89Å; L125-H129 VanDerWaalsContact O-CD2 3.24Å; L125-H129 PolarHBondContact O-N 3.13Å; F126-H129 PolarHBondContact O-N 2.88Å; H129-E132 PolarHBondContact O-N 2.91Å; H129-H133 PolarHBondContact O-N 3.33Å |
| 130 | L | 88.7 | Confident | 88.2 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 176.8 | -171.9 | 63.1 | 0 | 0 | 0 | 112 | L55 I67 I71 F75 P81 F126 L127 T128 E132 H133 I134 | L55-L130 HydrophobicContact CD1-CD2 3.55Å; I67-L130 HydrophobicContact CG2-CD2 4.05Å; I71-L130 HydrophobicContact CD1-CD1 3.92Å; I71-L130 HydrophobicContact CD1-CD2 3.84Å; I71-L130 HydrophobicContact CG1-CD2 4.1Å; F75-L130 HydrophobicContact CE1-CD1 4.48Å; F75-L130 HydrophobicContact CE2-CD2 4.41Å; F75-L130 HydrophobicContact CZ-CD1 3.87Å; F75-L130 HydrophobicContact CZ-CD2 4.1Å; F75-L130 HydrophobicContact CZ-CG 4.1Å; P81-L130 HydrophobicContact CG-CD1 3.62Å; F126-L130 WeakPolarHBondContact O-CB 3.15Å; F126-L130 PolarHBondContact O-N 3.32Å; L127-L130 PolarHBondContact O-N 2.91Å; T128-L130 VanDerWaalsContact C-N 3.3Å; T128-L130 PolarHBondContact O-N 2.81Å; L130-E132 PolarHBondContact O-N 3.14Å; L130-H133 PolarHBondContact O-N 3.09Å; L130-I134 HydrophobicContact CG-CD1 4.17Å; L130-I134 WeakPolarHBondContact O-CD1 3.21Å; L130-I134 VanDerWaalsContact O-CG1 3.23Å; L130-I134 WeakPolarHBondContact O-CG1 3.28Å; L130-I134 PolarHBondContact O-N 3.25Å |
| 131 | M | 89.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 174 | -77.2 | 173.4 | 78.4 | 0 | 0 | 112.5 | F9 L14 L49 V52 I103 V108 L127 T128 M135 | F9-M131 HydrophobicContact CE1-CE 4.27Å; L14-M131 HydrophobicContact CD1-CE 3.77Å; L14-M131 HydrophobicContact CD2-CE 3.95Å; L14-M131 HydrophobicContact CG-CE 4.38Å; L49-M131 HydrophobicContact CD2-CE 4.03Å; V52-M131 HydrophobicContact CG1-SD 4.3Å; V52-M131 HydrophobicContact CG2-CE 4.42Å; V52-M131 HydrophobicContact CG2-CG 3.39Å; V52-M131 HydrophobicContact CG2-SD 4.04Å; I103-M131 HydrophobicContact CD1-CB 3.77Å; V108-M131 HydrophobicContact CG1-SD 4.23Å; L127-M131 WeakPolarHBondContact O-CB 3.25Å; L127-M131 WeakPolarHBondContact O-CG 3.47Å; L127-M131 PolarHBondContact O-N 3.14Å; T128-M131 PolarHBondContact O-N 3.21Å; M131-M135 WeakPolarHBondContact O-CB 3.38Å; M131-M135 PolarHBondContact O-N 2.95Å |
| 132 | E | 90.9 | Very high | 88.5 | Confident | 25 Ų | 25 | 18.1 Ų | 18.1 | 12% | 0.117 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.4 | -38.6 | 178.6 | -164 | 157.7 | 120.5 | 0 | 0 | 111.8 | L21 L101 Y102 I103 T128 H129 L130 G136 | L21-E132 HydrophobicContact CD1-CG 4.26Å; L21-E132 HydrophobicContact CD2-CG 4.24Å; L101-E132 HydrophobicContact CD2-CB 3.93Å; L101-E132 VanDerWaalsContact CD2-CD 3.43Å; L101-E132 HydrophobicContact CD2-CG 4.26Å; L101-E132 WeakPolarHBondContact CD2-OE2 3.43Å; Y102-E132 WeakPolarHBondContact CA-OE2 3.16Å; Y102-E132 WeakPolarHBondContact CD2-OE1 3.21Å; Y102-E132 VanDerWaalsContact N-CD 3.33Å; Y102-E132 PolarHBondContact N-OE1 3.47Å; Y102-E132 VanDerWaalsContact N-OE1 3.15Å; Y102-E132 PolarHBondContact N-OE2 3.39Å; I103-E132 HydrophobicContact CD1-CB 3.82Å; I103-E132 HydrophobicContact CD1-CG 4.39Å; I103-E132 HydrophobicContact CG1-CB 4.34Å; I103-E132 HydrophobicContact CG1-CG 4.48Å; I103-E132 WeakPolarHBondContact CG1-OE2 3.37Å; I103-E132 PolarHBondContact N-OE2 2.96Å; T128-E132 PolarHBondContact O-N 3.34Å; H129-E132 PolarHBondContact O-N 2.91Å; L130-E132 PolarHBondContact O-N 3.14Å; E132-G136 PolarHBondContact O-N 2.99Å |
| 133 | H | 89 | Confident | 88.4 | Confident | 33 Ų | 33 | 14.3 Ų | 14.3 | 15% | 0.153 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.2 | -51.3 | 172.8 | -171.4 | 105.1 | 0 | 0 | 0 | 111.9 | F85 H129 L130 M135 G136 Q137 | F85-H133 AromaticContact CD1-CE1 3.97Å; F85-H133 AromaticContact CD1-ND1 3.63Å; F85-H133 AromaticContact CD2-ND1 3.62Å; F85-H133 HydrophobicContact CE1-CB 3.84Å; F85-H133 AromaticContact CE1-CG 3.69Å; F85-H133 AromaticContact CE1-ND1 3.34Å; F85-H133 VanDerWaalsContact CE1-ND1 3.34Å; F85-H133 WeakPolarHBondContact CE1-ND1 3.5Å; F85-H133 HydrophobicContact CE2-CB 4.49Å; F85-H133 AromaticContact CE2-ND1 3.33Å; F85-H133 VanDerWaalsContact CE2-ND1 3.33Å; F85-H133 WeakPolarHBondContact CE2-ND1 3.41Å; F85-H133 AromaticContact CG-CE1 3.94Å; F85-H133 AromaticContact CG-ND1 3.77Å; F85-H133 HydrophobicContact CZ-CB 3.63Å; F85-H133 AromaticContact CZ-CG 3.69Å; F85-H133 AromaticContact CZ-ND1 3.18Å; F85-H133 WeakPolarHBondContact CZ-ND1 3.36Å; H129-H133 PolarHBondContact O-N 3.33Å; L130-H133 PolarHBondContact O-N 3.09Å; H133-M135 PolarHBondContact O-N 3.22Å; H133-G136 PolarHBondContact O-N 3.28Å; H133-Q137 PolarHBondContact NE2-NE2 2.88Å; H133-Q137 VanDerWaalsContact NE2-NE2 3.18Å; H133-Q137 WeakPolarHBondContact O-CB 3.45Å; H133-Q137 WeakPolarHBondContact O-CG 3.48Å; H133-Q137 PolarHBondContact O-N 2.95Å |
| 134 | I | 86.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -55.3 | -52 | 178.5 | -66.8 | 157.6 | 0 | 0 | 0 | 110.2 | T48 I51 F75 L130 G136 Q137 I138 | T48-I134 HydrophobicContact CG2-CB 4.21Å; T48-I134 HydrophobicContact CG2-CG2 3.93Å; I51-I134 HydrophobicContact CB-CD1 4.4Å; I51-I134 HydrophobicContact CD1-CG2 3.97Å; I51-I134 HydrophobicContact CG2-CD1 3.81Å; F75-I134 HydrophobicContact CE1-CD1 4.03Å; F75-I134 HydrophobicContact CE1-CG1 3.75Å; F75-I134 HydrophobicContact CZ-CD1 3.78Å; F75-I134 HydrophobicContact CZ-CG1 4.02Å; L130-I134 HydrophobicContact CG-CD1 4.17Å; L130-I134 WeakPolarHBondContact O-CD1 3.21Å; L130-I134 VanDerWaalsContact O-CG1 3.23Å; L130-I134 WeakPolarHBondContact O-CG1 3.28Å; L130-I134 PolarHBondContact O-N 3.25Å; I134-G136 PolarHBondContact O-N 3.01Å; I134-Q137 PolarHBondContact O-N 3.1Å; I134-I138 HydrophobicContact CG2-CD1 3.67Å; I134-I138 HydrophobicContact CG2-CG1 4.47Å; I134-I138 VanDerWaalsContact O-CG1 3.3Å; I134-I138 WeakPolarHBondContact O-CG1 3.33Å; I134-I138 PolarHBondContact O-N 3.3Å |
| 135 | M | 89.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | -176.3 | -169.7 | 158.8 | 57.2 | 0 | 0 | 111.6 | L14 P17 C18 L21 I44 T48 I103 M131 H133 Q137 I138 V139 | L14-M135 HydrophobicContact CB-CE 4.24Å; L14-M135 HydrophobicContact CB-SD 4.18Å; L14-M135 HydrophobicContact CD2-CE 4.32Å; P17-M135 HydrophobicContact CB-CE 3.73Å; C18-M135 HydrophobicContact CB-CE 4.47Å; C18-M135 HydrophobicContact CB-CG 4.48Å; C18-M135 HydrophobicContact CB-SD 3.69Å; L21-M135 HydrophobicContact CD1-CB 4.07Å; L21-M135 HydrophobicContact CD1-CE 3.86Å; L21-M135 HydrophobicContact CD1-CG 3.99Å; I44-M135 HydrophobicContact CG2-CG 4.24Å; T48-M135 HydrophobicContact CG2-CB 4.29Å; I103-M135 HydrophobicContact CD1-CE 3.9Å; I103-M135 HydrophobicContact CG1-CE 4.16Å; M131-M135 WeakPolarHBondContact O-CB 3.38Å; M131-M135 PolarHBondContact O-N 2.95Å; H133-M135 PolarHBondContact O-N 3.22Å; M135-Q137 PolarHBondContact O-N 3.44Å; M135-I138 PolarHBondContact O-N 3.46Å; M135-V139 VanDerWaalsContact O-CB 3.28Å; M135-V139 WeakPolarHBondContact O-CB 3.48Å; M135-V139 WeakPolarHBondContact O-CG2 3.36Å; M135-V139 PolarHBondContact O-N 3.32Å |
| 136 | G | 89.1 | Confident | 87.3 | Confident | 9 Ų | 9 | 18 Ų | 18 | 9% | 0.093 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.6 | -36.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E132 H133 I134 Q140 | E132-G136 PolarHBondContact O-N 2.99Å; H133-G136 PolarHBondContact O-N 3.28Å; I134-G136 PolarHBondContact O-N 3.01Å; G136-Q140 WeakPolarHBondContact O-CB 3.49Å; G136-Q140 PolarHBondContact O-N 2.78Å |
| 137 | Q | 88.6 | Confident | 86.3 | Confident | 67 Ų | 67 | 18.6 Ų | 18.6 | 31% | 0.313 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -69.5 | -45.9 | 173.2 | -67.5 | -76.2 | 26.4 | 0 | 0 | 111.6 | L79 H133 I134 M135 V139 Q140 W141 | L79-Q137 HydrophobicContact CD2-CB 3.89Å; H133-Q137 PolarHBondContact NE2-NE2 2.88Å; H133-Q137 VanDerWaalsContact NE2-NE2 3.18Å; H133-Q137 WeakPolarHBondContact O-CB 3.45Å; H133-Q137 WeakPolarHBondContact O-CG 3.48Å; H133-Q137 PolarHBondContact O-N 2.95Å; I134-Q137 PolarHBondContact O-N 3.1Å; M135-Q137 PolarHBondContact O-N 3.44Å; Q137-V139 VanDerWaalsContact C-N 3.3Å; Q137-V139 PolarHBondContact O-N 2.89Å; Q137-Q140 WeakPolarHBondContact O-CB 3.29Å; Q137-Q140 PolarHBondContact O-N 3.32Å; Q137-Q140 VanDerWaalsContact O-N 3.15Å; Q137-W141 VanDerWaalsContact O-CD1 3.31Å; Q137-W141 PolarHBondContact O-N 3.34Å |
| 138 | I | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 176.5 | -65.1 | 164.5 | 0 | 0 | 0 | 110.3 | I44 Y47 L79 I134 M135 W141 V142 F163 F166 | I44-I138 HydrophobicContact CB-CG2 4.42Å; I44-I138 HydrophobicContact CG1-CG2 3.99Å; I44-I138 HydrophobicContact CG2-CB 4.47Å; I44-I138 HydrophobicContact CG2-CG2 3.87Å; Y47-I138 HydrophobicContact CD1-CD1 3.76Å; Y47-I138 HydrophobicContact CE1-CD1 4.3Å; L79-I138 HydrophobicContact CD1-CD1 4.37Å; L79-I138 HydrophobicContact CD1-CG1 4.1Å; L79-I138 HydrophobicContact CD2-CG1 4.02Å; I134-I138 HydrophobicContact CG2-CD1 3.67Å; I134-I138 HydrophobicContact CG2-CG1 4.47Å; I134-I138 VanDerWaalsContact O-CG1 3.3Å; I134-I138 WeakPolarHBondContact O-CG1 3.33Å; I134-I138 PolarHBondContact O-N 3.3Å; M135-I138 PolarHBondContact O-N 3.46Å; I138-W141 PolarHBondContact O-N 3.25Å; I138-V142 WeakPolarHBondContact O-CG2 3.23Å; I138-V142 PolarHBondContact O-N 3.42Å; I138-F163 HydrophobicContact CG2-CE1 4.03Å; I138-F166 HydrophobicContact CG1-CE2 3.99Å; I138-F166 HydrophobicContact CG1-CZ 4.27Å |
| 139 | V | 89.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 174.6 | 164.6 | 0 | 0 | 0 | 0 | 111.8 | L21 L22 Q25 M135 Q137 W141 V142 V143 | L21-V139 HydrophobicContact CB-CG1 4.4Å; L22-V139 HydrophobicContact CB-CG1 4.06Å; L22-V139 HydrophobicContact CD1-CG1 3.82Å; Q25-V139 HydrophobicContact CB-CG1 4.38Å; Q25-V139 HydrophobicContact CG-CG1 4.12Å; M135-V139 VanDerWaalsContact O-CB 3.28Å; M135-V139 WeakPolarHBondContact O-CB 3.48Å; M135-V139 WeakPolarHBondContact O-CG2 3.36Å; M135-V139 PolarHBondContact O-N 3.32Å; Q137-V139 VanDerWaalsContact C-N 3.3Å; Q137-V139 PolarHBondContact O-N 2.89Å; V139-W141 VanDerWaalsContact C-N 3.33Å; V139-W141 PolarHBondContact O-N 3.25Å; V139-V142 WeakPolarHBondContact O-CB 3.46Å; V139-V142 PolarHBondContact O-N 3.15Å; V139-V142 VanDerWaalsContact O-N 3.13Å; V139-V143 PolarHBondContact O-N 2.95Å |
| 140 | Q | 88.9 | Confident | 83.3 | Confident | 34 Ų | 34 | 31.6 Ų | 31.6 | 16% | 0.159 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 174 | -175 | 62.1 | 73 | 0 | 0 | 111.9 | Q25 G136 Q137 V142 V143 N144 | Q25-Q140 VanDerWaalsContact NE2-OE1 3.16Å; G136-Q140 WeakPolarHBondContact O-CB 3.49Å; G136-Q140 PolarHBondContact O-N 2.78Å; Q137-Q140 WeakPolarHBondContact O-CB 3.29Å; Q137-Q140 PolarHBondContact O-N 3.32Å; Q137-Q140 VanDerWaalsContact O-N 3.15Å; Q140-V142 VanDerWaalsContact C-N 3.34Å; Q140-V143 PolarHBondContact O-N 2.63Å; Q140-N144 PolarHBondContact NE2-OD1 3.19Å; Q140-N144 VanDerWaalsContact O-CB 3.29Å; Q140-N144 WeakPolarHBondContact O-CB 3.29Å; Q140-N144 PolarHBondContact O-N 2.95Å; Q140-N144 PolarHBondContact O-ND2 3.37Å; Q140-N144 PolarHBondContact O-OD1 3.18Å |
| 141 | W | 86.5 | Confident | 82.4 | Confident | 80 Ų | 80 | 34.5 Ų | 34.5 | 30% | 0.303 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.4 | -35 | 173.2 | -84.1 | 77.9 | 0 | 0 | 0 | 112.4 | K78 Q137 I138 V139 Y145 I162 L165 F166 | K78-W141 HydrophobicContact CD-CH2 3.96Å; K78-W141 HydrophobicContact CD-CZ2 4.01Å; Q137-W141 VanDerWaalsContact O-CD1 3.31Å; Q137-W141 PolarHBondContact O-N 3.34Å; I138-W141 PolarHBondContact O-N 3.25Å; V139-W141 VanDerWaalsContact C-N 3.33Å; V139-W141 PolarHBondContact O-N 3.25Å; W141-Y145 VanDerWaalsContact O-CB 3.23Å; W141-Y145 WeakPolarHBondContact O-CB 3.41Å; W141-Y145 PolarHBondContact O-N 3.35Å; W141-I162 HydrophobicContact CB-CG2 3.94Å; W141-L165 HydrophobicContact CZ3-CB 4.35Å; W141-L165 HydrophobicContact CZ3-CD1 4.13Å; W141-F166 HydrophobicContact CB-CE1 4.22Å; W141-F166 HydrophobicContact CB-CZ 3.98Å; W141-F166 AromaticContact CD1-CE1 3.83Å; W141-F166 AromaticContact CD2-CE1 3.63Å; W141-F166 HydrophobicContact CD2-CE1 3.63Å; W141-F166 HydrophobicContact CD2-CZ 4.29Å; W141-F166 AromaticContact CE2-CE1 3.86Å; W141-F166 HydrophobicContact CE3-CE1 4.16Å; W141-F166 AromaticContact CG-CE1 3.63Å; W141-F166 HydrophobicContact CG-CE1 3.63Å; W141-F166 AromaticContact CG-CZ 3.89Å; W141-F166 HydrophobicContact CG-CZ 3.89Å; W141-F166 AromaticContact NE1-CE1 3.94Å |
| 142 | V | 86.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -49.6 | 172.4 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | V34 L36 I44 I138 V139 Q140 N144 Y145 E146 I154 V159 I162 | V34-V142 HydrophobicContact CG1-CG1 4.47Å; L36-V142 HydrophobicContact CD2-CG1 4.13Å; I44-V142 HydrophobicContact CD1-CG2 3.99Å; I138-V142 WeakPolarHBondContact O-CG2 3.23Å; I138-V142 PolarHBondContact O-N 3.42Å; V139-V142 WeakPolarHBondContact O-CB 3.46Å; V139-V142 PolarHBondContact O-N 3.15Å; V139-V142 VanDerWaalsContact O-N 3.13Å; Q140-V142 VanDerWaalsContact C-N 3.34Å; V142-N144 VanDerWaalsContact C-N 3.3Å; V142-N144 PolarHBondContact O-N 2.92Å; V142-Y145 PolarHBondContact O-N 3.47Å; V142-E146 WeakPolarHBondContact O-CB 3.31Å; V142-E146 PolarHBondContact O-N 3.36Å; V142-I154 HydrophobicContact CG1-CB 4.46Å; V142-I154 HydrophobicContact CG1-CG1 4.03Å; V142-I154 HydrophobicContact CG1-CG2 4.14Å; V142-V159 HydrophobicContact CG2-CG2 4.41Å; V142-I162 HydrophobicContact CB-CD1 4.43Å; V142-I162 HydrophobicContact CG2-CD1 3.78Å |
| 143 | V | 83.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.7 | -33.1 | 178.8 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | L22 Q25 L29 R31 V34 V139 Q140 S147 | L22-V143 HydrophobicContact CD1-CG2 3.54Å; Q25-V143 HydrophobicContact CB-CG2 4.37Å; L29-V143 HydrophobicContact CD1-CB 4.49Å; L29-V143 HydrophobicContact CD1-CG1 3.73Å; R31-V143 PolarHBondContact NH1-O 3.1Å; V34-V143 HydrophobicContact CG2-CG1 4.49Å; V34-V143 HydrophobicContact CG2-CG2 4.4Å; V139-V143 PolarHBondContact O-N 2.95Å; Q140-V143 PolarHBondContact O-N 2.63Å; V143-S147 PolarHBondContact O-N 2.74Å; V143-S147 PolarHBondContact O-OG 3.31Å |
| 144 | N | 81.1 | Confident | 80.4 | Confident | 64 Ų | 64 | 38.3 Ų | 38.3 | 34% | 0.342 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -69.2 | -42 | 174.2 | -71.3 | -5.9 | 0 | 0 | 0 | 111.9 | Q140 V142 S147 | Q140-N144 PolarHBondContact NE2-OD1 3.19Å; Q140-N144 VanDerWaalsContact O-CB 3.29Å; Q140-N144 WeakPolarHBondContact O-CB 3.29Å; Q140-N144 PolarHBondContact O-N 2.95Å; Q140-N144 PolarHBondContact O-ND2 3.37Å; Q140-N144 PolarHBondContact O-OD1 3.18Å; V142-N144 VanDerWaalsContact C-N 3.3Å; V142-N144 PolarHBondContact O-N 2.92Å; N144-S147 PolarHBondContact O-OG 3.19Å |
| 145 | Y | 77.9 | Confident | 80 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 11% | 0.106 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.9 | -43.3 | 176.7 | 178.1 | -88.8 | 0 | 0 | 0 | 111.9 | W141 V142 S147 K148 I149 I154 D158 H161 I162 R185 | W141-Y145 VanDerWaalsContact O-CB 3.23Å; W141-Y145 WeakPolarHBondContact O-CB 3.41Å; W141-Y145 PolarHBondContact O-N 3.35Å; V142-Y145 PolarHBondContact O-N 3.47Å; Y145-S147 VanDerWaalsContact C-N 3.28Å; Y145-S147 PolarHBondContact O-N 3.05Å; Y145-K148 WeakPolarHBondContact O-CB 3.29Å; Y145-K148 PolarHBondContact O-N 3.18Å; Y145-I149 HydrophobicContact CD1-CD1 4.27Å; Y145-I149 HydrophobicContact CE1-CD1 3.88Å; Y145-I149 HydrophobicContact CE1-CG1 4.42Å; Y145-I149 HydrophobicContact CE1-CG2 4.03Å; Y145-I149 PolarHBondContact O-N 3.29Å; Y145-I154 HydrophobicContact CD1-CD1 3.79Å; Y145-I154 HydrophobicContact CE1-CD1 4.2Å; Y145-D158 HydrophobicContact CD1-CB 4.27Å; Y145-D158 HydrophobicContact CE1-CB 3.57Å; Y145-D158 WeakPolarHBondContact CE1-OD1 3.34Å; Y145-D158 VanDerWaalsContact CZ-OD1 3.31Å; Y145-D158 PolarHBondContact OH-OD1 2.93Å; Y145-H161 AromaticContact CE2-CD2 3.65Å; Y145-I162 HydrophobicContact CD1-CD1 4.08Å; Y145-I162 HydrophobicContact CD2-CG1 4.25Å; Y145-I162 HydrophobicContact CG-CD1 3.93Å; Y145-I162 HydrophobicContact CG-CG1 4.05Å; Y145-R185 PolarHBondContact OH-NH2 2.92Å |
| 146 | E | 81.3 | Confident | 79.2 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -51.8 | -50.3 | 173.4 | -169.1 | -73 | 137.6 | 0 | 0 | 109.9 | V34 V142 K148 I149 Q150 S151 G152 I154 | V34-E146 HydrophobicContact CB-CG 4.39Å; V34-E146 HydrophobicContact CG1-CB 4.14Å; V34-E146 HydrophobicContact CG1-CG 3.85Å; V34-E146 HydrophobicContact CG2-CB 3.93Å; V34-E146 HydrophobicContact CG2-CG 3.7Å; V142-E146 WeakPolarHBondContact O-CB 3.31Å; V142-E146 PolarHBondContact O-N 3.36Å; E146-K148 PolarHBondContact O-N 2.87Å; E146-I149 CarbonylContact O-C 3.6Å; E146-I149 WeakPolarHBondContact O-CG1 3.4Å; E146-I149 PolarHBondContact O-N 3.24Å; E146-Q150 PolarHBondContact O-N 3.4Å; E146-Q150 WeakPolarHBondContact OE1-CA 3.43Å; E146-S151 PolarHBondContact OE1-N 2.95Å; E146-G152 WeakPolarHBondContact OE1-CA 3.45Å; E146-G152 PolarHBondContact OE1-N 3.35Å; E146-I154 HydrophobicContact CB-CD1 3.93Å; E146-I154 HydrophobicContact CB-CG1 4.11Å; E146-I154 HydrophobicContact CG-CD1 4.3Å; E146-I154 HydrophobicContact CG-CG1 4.21Å |
| 147 | S | 70.4 | Confident | 78 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.7 | -10.2 | -178.4 | 70 | 0 | 0 | 0 | 0 | 116 | R31 V143 N144 Y145 Q285 | R31-S147 PolarHBondContact NH1-OG 3.37Å; R31-S147 PolarHBondContact NH2-OG 3.48Å; V143-S147 PolarHBondContact O-N 2.74Å; V143-S147 PolarHBondContact O-OG 3.31Å; N144-S147 PolarHBondContact O-OG 3.19Å; Y145-S147 VanDerWaalsContact C-N 3.28Å; Y145-S147 PolarHBondContact O-N 3.05Å; S147-Q285 PolarHBondContact O-NE2 3.04Å |
| 148 | K | 67.8 | Low | 77.3 | Confident | 147 Ų | 147 | 43.6 Ų | 43.6 | 64% | 0.639 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -90.8 | -32.6 | 170.5 | -65.8 | -171.9 | 175.4 | -161 | 0 | 112 | Y145 E146 K191 | Y145-K148 WeakPolarHBondContact O-CB 3.29Å; Y145-K148 PolarHBondContact O-N 3.18Å; E146-K148 PolarHBondContact O-N 2.87Å; K148-K191 WeakPolarHBondContact O-CE 3.31Å; K148-K191 PolarHBondContact O-NZ 3.17Å |
| 149 | I | 65.9 | Low | 76.7 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -82.9 | -37.5 | 174.5 | 59.5 | 171.3 | 0 | 0 | 0 | 112.5 | Y145 E146 S151 I154 K191 | Y145-I149 HydrophobicContact CD1-CD1 4.27Å; Y145-I149 HydrophobicContact CE1-CD1 3.88Å; Y145-I149 HydrophobicContact CE1-CG1 4.42Å; Y145-I149 HydrophobicContact CE1-CG2 4.03Å; Y145-I149 PolarHBondContact O-N 3.29Å; E146-I149 CarbonylContact O-C 3.6Å; E146-I149 WeakPolarHBondContact O-CG1 3.4Å; E146-I149 PolarHBondContact O-N 3.24Å; I149-S151 WeakPolarHBondContact CD1-OG 3.33Å; I149-I154 HydrophobicContact CD1-CD1 3.83Å; I149-K191 PolarHBondContact O-NZ 3.46Å |
| 150 | Q | 69.1 | Low | 75.7 | Confident | 104 Ų | 104 | 44.9 Ų | 44.9 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | trans | 63.3 | 37.8 | -176.8 | -59.1 | 162.5 | -44.8 | 0 | 0 | 113.4 | E146 | E146-Q150 PolarHBondContact O-N 3.4Å; E146-Q150 WeakPolarHBondContact OE1-CA 3.43Å | ||
| 151 | S | 69.1 | Low | 74.5 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | trans | -89.1 | -20 | -179 | 60 | 0 | 0 | 0 | 0 | 113.9 | E146 I149 Y153 | E146-S151 PolarHBondContact OE1-N 2.95Å; I149-S151 WeakPolarHBondContact CD1-OG 3.33Å; S151-Y153 PolarHBondContact O-N 3.18Å; S151-Y153 VanDerWaalsContact O-N 3.07Å; S151-Y153 PolarHBondContact OG-N 2.93Å; S151-Y153 VanDerWaalsContact OG-N 3.17Å; S151-Y153 PolarHBondContact OG-O 3.24Å | ||
| 152 | G | 70.3 | Confident | 73.7 | Confident | 34 Ų | 34 | 42 Ų | 42 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 66.1 | -6.2 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115 | C35 E146 | C35-G152 WeakPolarHBondContact CB-O 3.41Å; C35-G152 PolarHBondContact N-O 2.74Å; E146-G152 WeakPolarHBondContact OE1-CA 3.45Å; E146-G152 PolarHBondContact OE1-N 3.35Å |
| 153 | Y | 79.5 | Confident | 73.2 | Confident | 105 Ų | 105 | 42.6 Ų | 42.6 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 133.2 | -171.2 | -173 | -104.3 | 0 | 0 | 0 | 111.7 | C35 S37 S151 E155 | C35-Y153 HydrophobicContact CB-CD2 3.73Å; C35-Y153 HydrophobicContact CB-CE2 4.48Å; C35-Y153 CarbonylContact O-C 3.58Å; C35-Y153 WeakPolarHBondContact O-CA 3.39Å; C35-Y153 WeakPolarHBondContact O-CD2 3.49Å; S37-Y153 VanDerWaalsContact CB-OH 3.23Å; S37-Y153 WeakPolarHBondContact CB-OH 3.38Å; S151-Y153 PolarHBondContact O-N 3.18Å; S151-Y153 VanDerWaalsContact O-N 3.07Å; S151-Y153 PolarHBondContact OG-N 2.93Å; S151-Y153 VanDerWaalsContact OG-N 3.17Å; S151-Y153 PolarHBondContact OG-O 3.24Å; Y153-E155 HydrophobicContact CD1-CG 4.11Å; Y153-E155 HydrophobicContact CE1-CG 3.85Å |
| 154 | I | 77.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121 | -173.9 | -70.7 | -74.6 | 0 | 0 | 0 | 111 | V34 C35 L36 S37 A40 V142 Y145 E146 I149 D158 V159 | V34-I154 HydrophobicContact CG1-CB 4.49Å; V34-I154 HydrophobicContact CG1-CG1 3.74Å; C35-I154 PolarHBondContact O-N 2.86Å; L36-I154 HydrophobicContact CD2-CB 4.09Å; L36-I154 HydrophobicContact CD2-CG2 3.72Å; S37-I154 WeakPolarHBondContact CB-O 3.43Å; S37-I154 PolarHBondContact N-O 3.11Å; S37-I154 PolarHBondContact OG-O 3.23Å; A40-I154 HydrophobicContact CB-CG2 4.39Å; V142-I154 HydrophobicContact CG1-CB 4.46Å; V142-I154 HydrophobicContact CG1-CG1 4.03Å; V142-I154 HydrophobicContact CG1-CG2 4.14Å; Y145-I154 HydrophobicContact CD1-CD1 3.79Å; Y145-I154 HydrophobicContact CE1-CD1 4.2Å; E146-I154 HydrophobicContact CB-CD1 3.93Å; E146-I154 HydrophobicContact CB-CG1 4.11Å; E146-I154 HydrophobicContact CG-CD1 4.3Å; E146-I154 HydrophobicContact CG-CG1 4.21Å; I149-I154 HydrophobicContact CD1-CD1 3.83Å; I154-D158 HydrophobicContact CD1-CB 4.32Å; I154-D158 HydrophobicContact CG2-CB 4.17Å; I154-V159 HydrophobicContact CG2-CG2 3.89Å |
| 155 | E | 79.4 | Confident | 71.2 | Confident | 100 Ų | 100 | 45.3 Ų | 45.3 | 47% | 0.467 | 24% | 0.239 | S | C | . | . | trans | -90 | 167.5 | -180 | -67.1 | -157.1 | 155.6 | 0 | 0 | 113.1 | Y153 T157 D158 V159 | Y153-E155 HydrophobicContact CD1-CG 4.11Å; Y153-E155 HydrophobicContact CE1-CG 3.85Å; E155-T157 VanDerWaalsContact CB-OG1 3.26Å; E155-T157 WeakPolarHBondContact CB-OG1 3.18Å; E155-T157 PolarHBondContact O-N 2.98Å; E155-D158 PolarHBondContact N-OD2 3.06Å; E155-D158 VanDerWaalsContact N-OD2 3.12Å; E155-D158 PolarHBondContact O-N 3.43Å; E155-V159 PolarHBondContact O-N 2.94Å | ||
| 156 | A | 72.1 | Confident | 70.6 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V39 V159 H160 | V39-A156 HydrophobicContact CB-CB 4.08Å; V39-A156 HydrophobicContact CG1-CB 3.76Å; A156-V159 PolarHBondContact O-N 3.12Å; A156-H160 PolarHBondContact O-CD2 2.9Å; A156-H160 PolarHBondContact O-N 3.03Å |
| 157 | T | 65.3 | Low | 69.3 | Low | 42 Ų | 42 | 45.3 Ų | 45.3 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.3 | -45.4 | 173.7 | 38.8 | 0 | 0 | 0 | 0 | 112.4 | E155 H160 H161 | E155-T157 VanDerWaalsContact CB-OG1 3.26Å; E155-T157 WeakPolarHBondContact CB-OG1 3.18Å; E155-T157 PolarHBondContact O-N 2.98Å; T157-H160 PolarHBondContact O-N 2.64Å; T157-H161 PolarHBondContact O-N 3.26Å |
| 158 | D | 72.8 | Confident | 68.3 | Low | 23 Ų | 23 | 47.5 Ų | 47.5 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 176 | -64.8 | -55.4 | 0 | 0 | 0 | 111.9 | Y145 I154 E155 H160 H161 I162 | Y145-D158 HydrophobicContact CD1-CB 4.27Å; Y145-D158 HydrophobicContact CE1-CB 3.57Å; Y145-D158 WeakPolarHBondContact CE1-OD1 3.34Å; Y145-D158 VanDerWaalsContact CZ-OD1 3.31Å; Y145-D158 PolarHBondContact OH-OD1 2.93Å; I154-D158 HydrophobicContact CD1-CB 4.32Å; I154-D158 HydrophobicContact CG2-CB 4.17Å; E155-D158 PolarHBondContact N-OD2 3.06Å; E155-D158 VanDerWaalsContact N-OD2 3.12Å; E155-D158 PolarHBondContact O-N 3.43Å; D158-H160 VanDerWaalsContact C-N 3.35Å; D158-H160 PolarHBondContact O-N 3.36Å; D158-H161 WeakPolarHBondContact O-CB 3.44Å; D158-H161 PolarHBondContact O-N 3.34Å; D158-H161 VanDerWaalsContact O-N 3.16Å; D158-I162 WeakPolarHBondContact O-CG1 3.3Å; D158-I162 PolarHBondContact O-N 3.4Å |
| 159 | V | 75.1 | Confident | 67.3 | Low | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | A40 H43 I44 V142 I154 E155 A156 H161 I162 F163 | A40-V159 HydrophobicContact CB-CB 4.48Å; A40-V159 HydrophobicContact CB-CG2 3.72Å; H43-V159 HydrophobicContact CB-CG1 3.87Å; I44-V159 HydrophobicContact CD1-CG2 4.14Å; I44-V159 HydrophobicContact CG1-CG1 3.94Å; I44-V159 HydrophobicContact CG1-CG2 4.21Å; V142-V159 HydrophobicContact CG2-CG2 4.41Å; I154-V159 HydrophobicContact CG2-CG2 3.89Å; E155-V159 PolarHBondContact O-N 2.94Å; A156-V159 PolarHBondContact O-N 3.12Å; V159-H161 VanDerWaalsContact C-N 3.34Å; V159-H161 PolarHBondContact O-N 2.78Å; V159-I162 PolarHBondContact O-N 3.02Å; V159-F163 HydrophobicContact CG1-CD1 4.29Å; V159-F163 HydrophobicContact CG1-CD2 4.22Å; V159-F163 HydrophobicContact CG1-CE1 3.69Å; V159-F163 HydrophobicContact CG1-CE2 3.61Å; V159-F163 HydrophobicContact CG1-CZ 3.31Å; V159-F163 WeakPolarHBondContact O-CD1 3.21Å; V159-F163 VanDerWaalsContact O-CG 3.24Å; V159-F163 WeakPolarHBondContact O-CG 3.49Å; V159-F163 PolarHBondContact O-N 3.46Å |
| 160 | H | 68.6 | Low | 66.5 | Low | 26 Ų | 26 | 42.8 Ų | 42.8 | 12% | 0.12 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -37 | 172.7 | -71.8 | -50.8 | 0 | 0 | 0 | 112.6 | H43 A156 T157 D158 F163 S164 Y178 | H43-H160 AromaticContact CD2-CE1 3.75Å; H43-H160 AromaticContact CD2-NE2 3.35Å; H43-H160 PolarHBondContact CD2-NE2 3.01Å; H43-H160 VanDerWaalsContact CD2-NE2 3.35Å; H43-H160 AromaticContact CE1-CE1 3.38Å; H43-H160 PolarHBondContact CE1-CE1 2.88Å; H43-H160 AromaticContact CE1-NE2 3.31Å; H43-H160 PolarHBondContact CE1-NE2 3.34Å; H43-H160 VanDerWaalsContact CE1-NE2 3.31Å; H43-H160 AromaticContact CG-CE1 3.66Å; H43-H160 AromaticContact CG-NE2 3.76Å; H43-H160 AromaticContact ND1-CE1 3.42Å; H43-H160 PolarHBondContact ND1-CE1 3.41Å; H43-H160 AromaticContact ND1-NE2 3.72Å; H43-H160 AromaticContact NE2-CE1 3.57Å; H43-H160 AromaticContact NE2-NE2 3.03Å; H43-H160 PolarHBondContact NE2-NE2 2.82Å; A156-H160 PolarHBondContact O-CD2 2.9Å; A156-H160 PolarHBondContact O-N 3.03Å; T157-H160 PolarHBondContact O-N 2.64Å; D158-H160 VanDerWaalsContact C-N 3.35Å; D158-H160 PolarHBondContact O-N 3.36Å; H160-F163 PolarHBondContact O-N 2.95Å; H160-S164 PolarHBondContact O-N 2.66Å; H160-Y178 AromaticContact CE1-CD1 3.67Å; H160-Y178 AromaticContact CE1-CD2 3.36Å; H160-Y178 WeakPolarHBondContact CE1-CD2 3.38Å; H160-Y178 AromaticContact CE1-CE2 3.83Å; H160-Y178 AromaticContact CE1-CG 3.26Å; H160-Y178 WeakPolarHBondContact ND1-CB 3.42Å; H160-Y178 AromaticContact ND1-CD2 3.4Å; H160-Y178 WeakPolarHBondContact ND1-CD2 3.38Å; H160-Y178 AromaticContact ND1-CG 3.44Å |
| 161 | H | 64.5 | Low | 65.2 | Low | 54 Ų | 54 | 43.1 Ų | 43.1 | 25% | 0.25 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 172.3 | -177.7 | 70.6 | 0 | 0 | 0 | 111.1 | Y145 T157 D158 V159 F163 S164 L165 | Y145-H161 AromaticContact CE2-CD2 3.65Å; T157-H161 PolarHBondContact O-N 3.26Å; D158-H161 WeakPolarHBondContact O-CB 3.44Å; D158-H161 PolarHBondContact O-N 3.34Å; D158-H161 VanDerWaalsContact O-N 3.16Å; V159-H161 VanDerWaalsContact C-N 3.34Å; V159-H161 PolarHBondContact O-N 2.78Å; H161-F163 VanDerWaalsContact C-N 3.32Å; H161-F163 PolarHBondContact O-N 2.88Å; H161-S164 WeakPolarHBondContact O-CA 3.28Å; H161-S164 WeakPolarHBondContact O-CB 3.47Å; H161-S164 PolarHBondContact O-N 2.62Å; H161-S164 PolarHBondContact O-OG 3.42Å; H161-L165 PolarHBondContact O-N 3.11Å; H161-L165 VanDerWaalsContact O-N 3.17Å |
| 162 | I | 69.8 | Low | 63.8 | Low | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.2 | -43.4 | 175.2 | -67.6 | 163.1 | 0 | 0 | 0 | 111.3 | W141 V142 Y145 D158 V159 S164 L165 F166 | W141-I162 HydrophobicContact CB-CG2 3.94Å; V142-I162 HydrophobicContact CB-CD1 4.43Å; V142-I162 HydrophobicContact CG2-CD1 3.78Å; Y145-I162 HydrophobicContact CD1-CD1 4.08Å; Y145-I162 HydrophobicContact CD2-CG1 4.25Å; Y145-I162 HydrophobicContact CG-CD1 3.93Å; Y145-I162 HydrophobicContact CG-CG1 4.05Å; D158-I162 WeakPolarHBondContact O-CG1 3.3Å; D158-I162 PolarHBondContact O-N 3.4Å; V159-I162 PolarHBondContact O-N 3.02Å; I162-S164 VanDerWaalsContact C-N 3.31Å; I162-S164 PolarHBondContact O-N 3.17Å; I162-L165 WeakPolarHBondContact O-CB 3.33Å; I162-L165 PolarHBondContact O-N 3.38Å; I162-F166 HydrophobicContact CG2-CE1 4.29Å; I162-F166 HydrophobicContact CG2-CE2 3.81Å; I162-F166 HydrophobicContact CG2-CZ 3.54Å; I162-F166 PolarHBondContact O-N 3.17Å |
| 163 | F | 75.1 | Confident | 62.3 | Low | 12 Ų | 12 | 47.8 Ų | 47.8 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 174.4 | -65 | -14.4 | 0 | 0 | 0 | 112.7 | H43 Y47 I138 V159 H160 H161 L165 F166 G167 Y178 | H43-F163 HydrophobicContact CB-CE2 4.05Å; H43-F163 HydrophobicContact CB-CZ 4.35Å; H43-F163 WeakPolarHBondContact O-CZ 3.4Å; Y47-F163 HydrophobicContact CD1-CD1 4.17Å; Y47-F163 AromaticContact CD1-CE1 3.89Å; Y47-F163 HydrophobicContact CD1-CE1 3.89Å; Y47-F163 HydrophobicContact CD1-CZ 4.19Å; Y47-F163 HydrophobicContact CD2-CD1 4.2Å; Y47-F163 AromaticContact CD2-CD2 3.74Å; Y47-F163 HydrophobicContact CD2-CD2 3.74Å; Y47-F163 HydrophobicContact CD2-CE1 4.26Å; Y47-F163 AromaticContact CD2-CE2 3.79Å; Y47-F163 HydrophobicContact CD2-CE2 3.79Å; Y47-F163 AromaticContact CD2-CG 3.95Å; Y47-F163 HydrophobicContact CD2-CG 3.95Å; Y47-F163 HydrophobicContact CD2-CZ 4.06Å; Y47-F163 HydrophobicContact CE1-CD1 4.28Å; Y47-F163 HydrophobicContact CE1-CE1 4.43Å; Y47-F163 HydrophobicContact CE2-CB 4.23Å; Y47-F163 HydrophobicContact CE2-CD1 4.33Å; Y47-F163 HydrophobicContact CE2-CD2 4.19Å; Y47-F163 HydrophobicContact CE2-CG 4.01Å; Y47-F163 HydrophobicContact CG-CD1 4.12Å; Y47-F163 HydrophobicContact CG-CD2 4.18Å; Y47-F163 AromaticContact CG-CE1 3.78Å; Y47-F163 HydrophobicContact CG-CE1 3.78Å; Y47-F163 AromaticContact CG-CE2 3.84Å; Y47-F163 HydrophobicContact CG-CE2 3.84Å; Y47-F163 HydrophobicContact CG-CG 4.31Å; Y47-F163 AromaticContact CG-CZ 3.63Å; Y47-F163 HydrophobicContact CG-CZ 3.63Å; I138-F163 HydrophobicContact CG2-CE1 4.03Å; V159-F163 HydrophobicContact CG1-CD1 4.29Å; V159-F163 HydrophobicContact CG1-CD2 4.22Å; V159-F163 HydrophobicContact CG1-CE1 3.69Å; V159-F163 HydrophobicContact CG1-CE2 3.61Å; V159-F163 HydrophobicContact CG1-CZ 3.31Å; V159-F163 WeakPolarHBondContact O-CD1 3.21Å; V159-F163 VanDerWaalsContact O-CG 3.24Å; V159-F163 WeakPolarHBondContact O-CG 3.49Å; V159-F163 PolarHBondContact O-N 3.46Å; H160-F163 PolarHBondContact O-N 2.95Å; H161-F163 VanDerWaalsContact C-N 3.32Å; H161-F163 PolarHBondContact O-N 2.88Å; F163-L165 PolarHBondContact O-N 2.94Å; F163-F166 HydrophobicContact CD1-CD2 4.09Å; F163-F166 AromaticContact CD1-CE2 3.88Å; F163-F166 HydrophobicContact CD1-CE2 3.88Å; F163-F166 HydrophobicContact CE1-CE2 4.47Å; F163-F166 PolarHBondContact O-N 2.99Å; F163-F166 VanDerWaalsContact O-N 3.13Å; F163-G167 PolarHBondContact O-N 3.34Å; F163-Y178 HydrophobicContact CD2-CD2 4.2Å; F163-Y178 HydrophobicContact CD2-CE2 4.4Å; F163-Y178 HydrophobicContact CE2-CD2 4.47Å; F163-Y178 HydrophobicContact CE2-CE2 4.24Å |
| 164 | S | 62.1 | Low | 60.2 | Low | 60 Ų | 60 | 45 Ų | 45 | 42% | 0.42 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.4 | -29.5 | 174.9 | 83.6 | 0 | 0 | 0 | 0 | 112.7 | H160 H161 I162 F166 | H160-S164 PolarHBondContact O-N 2.66Å; H161-S164 WeakPolarHBondContact O-CA 3.28Å; H161-S164 WeakPolarHBondContact O-CB 3.47Å; H161-S164 PolarHBondContact O-N 2.62Å; H161-S164 PolarHBondContact O-OG 3.42Å; I162-S164 VanDerWaalsContact C-N 3.31Å; I162-S164 PolarHBondContact O-N 3.17Å; S164-F166 VanDerWaalsContact C-N 3.34Å |
| 165 | L | 61.6 | Low | 58.2 | Low | 62 Ų | 62 | 47.5 Ų | 47.5 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -73.1 | -22.7 | 176.3 | -59.2 | 177.8 | 0 | 0 | 0 | 113 | K78 W141 H161 I162 F163 | K78-L165 WeakPolarHBondContact CD-O 3.32Å; K78-L165 WeakPolarHBondContact CE-O 3.48Å; K78-L165 PolarHBondContact NZ-O 2.83Å; W141-L165 HydrophobicContact CZ3-CB 4.35Å; W141-L165 HydrophobicContact CZ3-CD1 4.13Å; H161-L165 PolarHBondContact O-N 3.11Å; H161-L165 VanDerWaalsContact O-N 3.17Å; I162-L165 WeakPolarHBondContact O-CB 3.33Å; I162-L165 PolarHBondContact O-N 3.38Å; F163-L165 PolarHBondContact O-N 2.94Å |
| 166 | F | 66.1 | Low | 56.1 | Low | 9 Ų | 9 | 43.7 Ų | 43.7 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -78.8 | -32.1 | 175.4 | -57.1 | -38.6 | 0 | 0 | 0 | 113 | Y47 P76 K78 L79 I138 W141 I162 F163 S164 | Y47-F166 HydrophobicContact CE1-CD2 4.15Å; P76-F166 HydrophobicContact CB-CB 4.04Å; P76-F166 WeakPolarHBondContact CB-O 2.94Å; K78-F166 HydrophobicContact CB-CD1 4.17Å; L79-F166 HydrophobicContact CD1-CB 4.37Å; L79-F166 HydrophobicContact CD1-CD1 4.36Å; L79-F166 HydrophobicContact CD1-CD2 3.57Å; L79-F166 HydrophobicContact CD1-CE2 3.84Å; L79-F166 HydrophobicContact CD1-CG 3.87Å; L79-F166 HydrophobicContact CD1-CZ 4.34Å; L79-F166 HydrophobicContact CD2-CD1 4.26Å; L79-F166 HydrophobicContact CD2-CE1 3.92Å; L79-F166 HydrophobicContact CD2-CE2 4.24Å; L79-F166 HydrophobicContact CD2-CZ 3.92Å; L79-F166 HydrophobicContact CG-CD1 3.98Å; L79-F166 HydrophobicContact CG-CD2 4.1Å; L79-F166 HydrophobicContact CG-CE1 4.16Å; L79-F166 HydrophobicContact CG-CE2 4.29Å; L79-F166 HydrophobicContact CG-CG 3.96Å; L79-F166 HydrophobicContact CG-CZ 4.32Å; I138-F166 HydrophobicContact CG1-CE2 3.99Å; I138-F166 HydrophobicContact CG1-CZ 4.27Å; W141-F166 HydrophobicContact CB-CE1 4.22Å; W141-F166 HydrophobicContact CB-CZ 3.98Å; W141-F166 AromaticContact CD1-CE1 3.83Å; W141-F166 AromaticContact CD2-CE1 3.63Å; W141-F166 HydrophobicContact CD2-CE1 3.63Å; W141-F166 HydrophobicContact CD2-CZ 4.29Å; W141-F166 AromaticContact CE2-CE1 3.86Å; W141-F166 HydrophobicContact CE3-CE1 4.16Å; W141-F166 AromaticContact CG-CE1 3.63Å; W141-F166 HydrophobicContact CG-CE1 3.63Å; W141-F166 AromaticContact CG-CZ 3.89Å; W141-F166 HydrophobicContact CG-CZ 3.89Å; W141-F166 AromaticContact NE1-CE1 3.94Å; I162-F166 HydrophobicContact CG2-CE1 4.29Å; I162-F166 HydrophobicContact CG2-CE2 3.81Å; I162-F166 HydrophobicContact CG2-CZ 3.54Å; I162-F166 PolarHBondContact O-N 3.17Å; F163-F166 HydrophobicContact CD1-CD2 4.09Å; F163-F166 AromaticContact CD1-CE2 3.88Å; F163-F166 HydrophobicContact CD1-CE2 3.88Å; F163-F166 HydrophobicContact CE1-CE2 4.47Å; F163-F166 PolarHBondContact O-N 2.99Å; F163-F166 VanDerWaalsContact O-N 3.13Å; S164-F166 VanDerWaalsContact C-N 3.34Å |
| 167 | G | 52.8 | Low | 54.1 | Low | 35 Ų | 35 | 46 Ų | 46 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | trans | 87.4 | 168.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F163 | F163-G167 PolarHBondContact O-N 3.34Š| ||
| 168 | A | 49 | Very low | 52.7 | Low | 61 Ų | 61 | 48.5 Ų | 48.5 | 50% | 0.504 | 27% | 0.274 | S | S | . | . | trans | -79.1 | 138.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 169 | P | 47.5 | Very low | 50.8 | Low | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | trans | -71.2 | 133.2 | 174.1 | 29.5 | -33.9 | 0 | 0 | 0 | 111.2 | C74 L171 V176 | C74-P169 WeakPolarHBondContact O-CB 3.46Å; P169-L171 PolarHBondContact O-N 3.43Å; P169-V176 HydrophobicContact CG-CB 4.17Å | ||
| 170 | K | 50 | Low | 48.6 | Very low | 66 Ų | 66 | 54.8 Ų | 54.8 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 5 | -158.8 | -54.6 | -172.7 | -153.5 | 165.2 | 0 | 116.9 | ||
| 171 | L | 40.3 | Very low | 46.7 | Very low | 110 Ų | 110 | 56.6 Ų | 56.6 | 58% | 0.576 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.9 | 3.1 | -176.4 | -137.4 | 95.5 | 0 | 0 | 0 | 116 | P169 K173 | P169-L171 PolarHBondContact O-N 3.43Å; L171-K173 PolarHBondContact O-N 3.45Å |
| 172 | S | 40.4 | Very low | 45.1 | Very low | 30 Ų | 30 | 59.9 Ų | 59.9 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | trans | -73.4 | 120.2 | -174 | -158.5 | 0 | 0 | 0 | 0 | 111.5 | S54 S174 | S54-S172 PolarHBondContact OG-OG 3.24Å; S54-S172 VanDerWaalsContact OG-OG 3.11Å; S172-S174 WeakPolarHBondContact CB-O 3.47Å; S172-S174 PolarHBondContact O-N 2.8Å; S172-S174 PolarHBondContact OG-O 2.88Å | ||
| 173 | K | 38.9 | Very low | 43.4 | Very low | 166 Ų | 166 | 62.1 Ų | 62.1 | 72% | 0.722 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -74.6 | -10.5 | 170.1 | -68.9 | 173 | -177.8 | 165.4 | 0 | 112.4 | L171 | L171-K173 PolarHBondContact O-N 3.45Š|
| 174 | S | 35.5 | Very low | 41.6 | Very low | 46 Ų | 46 | 65 Ų | 65 | 32% | 0.322 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -86.5 | 132.3 | 164.3 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | S172 V176 | S172-S174 WeakPolarHBondContact CB-O 3.47Å; S172-S174 PolarHBondContact O-N 2.8Å; S172-S174 PolarHBondContact OG-O 2.88Å; S174-V176 VanDerWaalsContact C-N 3.32Å; S174-V176 PolarHBondContact O-N 3.44Å |
| 175 | P | 35.6 | Very low | 40.7 | Very low | 53 Ų | 53 | 64.9 Ų | 64.9 | 34% | 0.344 | 36% | 0.361 | S | S | . | . | trans | -78.9 | 80.4 | -174.5 | 32.8 | -35.8 | 0 | 0 | 0 | 111.4 | C177 P698 V700 | P175-C177 PolarHBondContact O-N 3.26Å; P175-P698 HydrophobicContact CG-CB 4.23Å; P175-P698 HydrophobicContact CG-CG 4.43Å; P175-V700 HydrophobicContact CB-CG2 3.68Å; P175-V700 HydrophobicContact CG-CG2 3.85Å | ||
| 176 | V | 34 | Very low | 40 | Very low | 21 Ų | 21 | 70.8 Ų | 70.8 | 13% | 0.127 | 38% | 0.384 | C | S | . | . | trans | -76.9 | 43.3 | 173 | -158.6 | 0 | 0 | 0 | 0 | 111.5 | Y47 N50 P169 S174 | Y47-V176 HydrophobicContact CD2-CG1 3.81Å; Y47-V176 HydrophobicContact CE2-CG1 3.89Å; N50-V176 HydrophobicContact CB-CG1 4.21Å; N50-V176 HydrophobicContact CB-CG2 3.87Å; P169-V176 HydrophobicContact CG-CB 4.17Å; S174-V176 VanDerWaalsContact C-N 3.32Å; S174-V176 PolarHBondContact O-N 3.44Å | ||
| 177 | C | 30.7 | Very low | 39.6 | Very low | 69 Ų | 69 | 70.9 Ų | 70.9 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | trans | -117 | 95.9 | 160.6 | -84.7 | 0 | 0 | 0 | 0 | 106 | P175 S179 V700 | P175-C177 PolarHBondContact O-N 3.26Å; C177-S179 PolarHBondContact O-N 3.44Å; C177-S179 VanDerWaalsContact O-N 3.14Å; C177-V700 WeakPolarHBondContact O-CG1 3.38Å | ||
| 178 | Y | 35.6 | Very low | 40.1 | Very low | 95 Ų | 95 | 72.8 Ų | 72.8 | 37% | 0.373 | 40% | 0.398 | S | S | . | . | trans | -59.1 | 120.5 | 160.9 | -68.2 | -72.8 | 0 | 0 | 0 | 107.1 | H43 H160 F163 L180 | H43-Y178 AromaticContact CE1-CE1 3.8Å; H43-Y178 AromaticContact CE1-CZ 3.9Å; H43-Y178 AromaticContact ND1-CE1 3.84Å; H43-Y178 AromaticContact ND1-CE2 3.87Å; H43-Y178 AromaticContact ND1-CZ 3.45Å; H43-Y178 PolarHBondContact ND1-OH 2.9Å; H160-Y178 AromaticContact CE1-CD1 3.67Å; H160-Y178 AromaticContact CE1-CD2 3.36Å; H160-Y178 WeakPolarHBondContact CE1-CD2 3.38Å; H160-Y178 AromaticContact CE1-CE2 3.83Å; H160-Y178 AromaticContact CE1-CG 3.26Å; H160-Y178 WeakPolarHBondContact ND1-CB 3.42Å; H160-Y178 AromaticContact ND1-CD2 3.4Å; H160-Y178 WeakPolarHBondContact ND1-CD2 3.38Å; H160-Y178 AromaticContact ND1-CG 3.44Å; F163-Y178 HydrophobicContact CD2-CD2 4.2Å; F163-Y178 HydrophobicContact CD2-CE2 4.4Å; F163-Y178 HydrophobicContact CE2-CD2 4.47Å; F163-Y178 HydrophobicContact CE2-CE2 4.24Å; Y178-L180 PolarHBondContact O-N 3.28Å; Y178-L180 VanDerWaalsContact O-N 3.15Å | ||
| 179 | S | 33.8 | Very low | 41.3 | Very low | 54 Ų | 54 | 73.6 Ų | 73.6 | 38% | 0.378 | 39% | 0.394 | S | S | . | . | trans | -54.3 | 121.9 | 168.7 | 52.7 | 0 | 0 | 0 | 0 | 107.3 | C177 P181 M701 | C177-S179 PolarHBondContact O-N 3.44Å; C177-S179 VanDerWaalsContact O-N 3.14Å; S179-P181 WeakPolarHBondContact O-CD 3.36Å; S179-M701 VanDerWaalsContact CB-O 3.24Å; S179-M701 WeakPolarHBondContact CB-O 3.37Å | ||
| 180 | L | 28.4 | Very low | 43 | Very low | 102 Ų | 102 | 74.3 Ų | 74.3 | 53% | 0.534 | 39% | 0.394 | S | S | . | . | trans | -51.6 | 114 | 166.7 | -83.1 | 160.8 | 0 | 0 | 0 | 106.8 | Y178 | Y178-L180 PolarHBondContact O-N 3.28Å; Y178-L180 VanDerWaalsContact O-N 3.15Å | ||
| 181 | P | 29.9 | Very low | 44.2 | Very low | 63 Ų | 63 | 73.6 Ų | 73.6 | 41% | 0.409 | 39% | 0.391 | S | S | . | . | trans | -58.9 | 148.5 | 160.2 | 29.5 | -33 | 0 | 0 | 0 | 106.1 | S179 L183 | S179-P181 WeakPolarHBondContact O-CD 3.36Å; P181-L183 PolarHBondContact O-N 2.67Å | ||
| 182 | F | 30.6 | Very low | 45.8 | Very low | 124 Ų | 124 | 69.5 Ų | 69.5 | 54% | 0.544 | 37% | 0.37 | S | S | . | . | trans | -47.8 | 124.7 | 168 | -67.7 | -88.9 | 0 | 0 | 0 | 107.4 | P184 | F182-P184 WeakPolarHBondContact O-CD 3.38Š| ||
| 183 | L | 34.2 | Very low | 47.6 | Very low | 48 Ų | 48 | 69.9 Ų | 69.9 | 25% | 0.251 | 37% | 0.367 | S | S | . | . | trans | -109.2 | 70.5 | -172.8 | -132.1 | 177.4 | 0 | 0 | 0 | 108.3 | P181 R185 P667 | P181-L183 PolarHBondContact O-N 2.67Å; L183-R185 PolarHBondContact O-N 3.07Å; L183-P667 WeakPolarHBondContact O-CB 3.49Å | ||
| 184 | P | 37.8 | Very low | 49.5 | Very low | 71 Ų | 71 | 62.1 Ų | 62.1 | 46% | 0.461 | 33% | 0.334 | S | S | . | . | trans | -68.4 | 92.7 | 165.7 | 32.4 | -31.6 | 0 | 0 | 0 | 106.4 | F182 K186 | F182-P184 WeakPolarHBondContact O-CD 3.38Å; P184-K186 PolarHBondContact O-N 3.34Å | ||
| 185 | R | 41.4 | Very low | 51.4 | Low | 58 Ų | 58 | 62 Ų | 62 | 22% | 0.219 | 33% | 0.328 | C | S | . | . | trans | -49.5 | 124 | 143.7 | -65.5 | -177.6 | -173.4 | -80.3 | -10 | 104.4 | Y145 L183 S187 F668 | Y145-R185 PolarHBondContact OH-NH2 2.92Å; L183-R185 PolarHBondContact O-N 3.07Å; R185-S187 VanDerWaalsContact C-N 3.33Å; R185-S187 PolarHBondContact O-N 3.31Å; R185-F668 HydrophobicContact CB-CE2 4.21Å; R185-F668 HydrophobicContact CB-CZ 3.89Å; R185-F668 WeakPolarHBondContact O-CE1 3.43Å; R185-F668 WeakPolarHBondContact O-CZ 3.25Å | ||
| 186 | K | 47.9 | Very low | 53.3 | Low | 186 Ų | 186 | 60 Ų | 60 | 81% | 0.809 | 31% | 0.314 | S | S | * | . | trans | -82.1 | 96.4 | 159.1 | -77.9 | -172.8 | 176.9 | -177.3 | 0 | 104.3 | P184 A188 | P184-K186 PolarHBondContact O-N 3.34Å; K186-A188 VanDerWaalsContact C-N 3.27Å; K186-A188 WeakPolarHBondContact O-CB 3.46Å; K186-A188 PolarHBondContact O-N 3.24Å | ||
| 187 | S | 57.1 | Low | 55.7 | Low | 12 Ų | 12 | 59 Ų | 59 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | trans | -57.5 | 96.2 | 169.9 | 46 | 0 | 0 | 0 | 0 | 107.9 | R185 Y193 F668 | R185-S187 VanDerWaalsContact C-N 3.33Å; R185-S187 PolarHBondContact O-N 3.31Å; S187-Y193 VanDerWaalsContact CB-CZ 3.43Å; S187-Y193 WeakPolarHBondContact O-CE2 3.2Å; S187-Y193 VanDerWaalsContact O-CZ 3.22Å; S187-Y193 PolarHBondContact O-OH 3.34Å; S187-Y193 WeakPolarHBondContact OG-CE1 3.39Å; S187-Y193 PolarHBondContact OG-OH 3.41Å; S187-F668 WeakPolarHBondContact OG-CE1 3.3Å; S187-F668 VanDerWaalsContact OG-CZ 3.22Å; S187-F668 WeakPolarHBondContact OG-CZ 3.38Å | ||
| 188 | A | 64.5 | Low | 58.1 | Low | 75 Ų | 75 | 57.1 Ų | 57.1 | 62% | 0.62 | 29% | 0.292 | S | S | * | . | trans | -119.9 | -3.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K186 H619 | K186-A188 VanDerWaalsContact C-N 3.27Å; K186-A188 WeakPolarHBondContact O-CB 3.46Å; K186-A188 PolarHBondContact O-N 3.24Å; A188-H619 PolarHBondContact O-CD2 3.45Å | ||
| 189 | D | 72.9 | Confident | 60 | Low | 78 Ų | 78 | 57.2 Ų | 57.2 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -129.8 | 164.9 | 170.8 | 72.7 | 26.4 | 0 | 0 | 0 | 110.6 | K191 D192 Y193 | D189-K191 PolarHBondContact O-N 3.28Å; D189-K191 WeakPolarHBondContact OD1-CA 3.2Å; D189-K191 WeakPolarHBondContact OD1-CB 3.37Å; D189-K191 PolarHBondContact OD1-N 3.18Å; D189-D192 PolarHBondContact OD1-N 3.04Å; D189-Y193 VanDerWaalsContact O-CD2 3.29Å; D189-Y193 WeakPolarHBondContact O-CD2 3.39Å |
| 190 | Y | 83.2 | Confident | 62.3 | Low | 33 Ų | 33 | 54.7 Ų | 54.7 | 13% | 0.129 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.6 | -36.2 | 176.1 | 178.3 | -81.1 | 0 | 0 | 0 | 112.6 | D192 Y193 A194 L288 I289 L616 A620 E625 L629 | Y190-D192 PolarHBondContact O-N 3.04Å; Y190-Y193 PolarHBondContact O-N 3.05Å; Y190-A194 HydrophobicContact CE1-CB 4.31Å; Y190-A194 VanDerWaalsContact O-CB 3.22Å; Y190-A194 WeakPolarHBondContact O-CB 3.32Å; Y190-A194 PolarHBondContact O-N 2.95Å; Y190-L288 HydrophobicContact CE1-CD2 4.39Å; Y190-L288 HydrophobicContact CE2-CD2 4.5Å; Y190-L288 WeakPolarHBondContact OH-CA 3.48Å; Y190-I289 PolarHBondContact OH-N 3.41Å; Y190-L616 HydrophobicContact CD1-CD1 4.16Å; Y190-L616 HydrophobicContact CD2-CD1 3.48Å; Y190-L616 VanDerWaalsContact CD2-CD1 3.48Å; Y190-L616 HydrophobicContact CD2-CG 3.81Å; Y190-L616 HydrophobicContact CE1-CD1 4.11Å; Y190-L616 HydrophobicContact CE2-CD1 3.47Å; Y190-L616 VanDerWaalsContact CE2-CD1 3.47Å; Y190-L616 HydrophobicContact CE2-CD2 4Å; Y190-L616 HydrophobicContact CE2-CG 3.47Å; Y190-L616 VanDerWaalsContact CE2-CG 3.47Å; Y190-L616 HydrophobicContact CG-CD1 3.82Å; Y190-L616 WeakPolarHBondContact O-CD1 3.29Å; Y190-A620 HydrophobicContact CD2-CB 4.19Å; Y190-A620 HydrophobicContact CE2-CB 4.31Å; Y190-E625 HydrophobicContact CE2-CG 3.9Å; Y190-E625 PolarHBondContact OH-OE1 2.89Å; Y190-L629 HydrophobicContact CE2-CD1 4.31Å |
| 191 | K | 76.5 | Confident | 65 | Low | 51 Ų | 51 | 50 Ų | 50 | 22% | 0.222 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.7 | -30.4 | -171.6 | -171.7 | -175.7 | 176.7 | -169.8 | 0 | 112.3 | K148 I149 D189 K195 | K148-K191 WeakPolarHBondContact O-CE 3.31Å; K148-K191 PolarHBondContact O-NZ 3.17Å; I149-K191 PolarHBondContact O-NZ 3.46Å; D189-K191 PolarHBondContact O-N 3.28Å; D189-K191 WeakPolarHBondContact OD1-CA 3.2Å; D189-K191 WeakPolarHBondContact OD1-CB 3.37Å; D189-K191 PolarHBondContact OD1-N 3.18Å; K191-K195 WeakPolarHBondContact O-CD 3.37Å; K191-K195 VanDerWaalsContact O-CE 3.25Å; K191-K195 WeakPolarHBondContact O-CE 3.28Å; K191-K195 VanDerWaalsContact O-CG 3.28Å; K191-K195 WeakPolarHBondContact O-CG 3.26Å; K191-K195 PolarHBondContact O-N 3.42Å |
| 192 | D | 72.5 | Confident | 67.4 | Low | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.134 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -79.1 | -44.8 | 172.6 | -91.7 | 7.1 | 0 | 0 | 0 | 112.2 | D189 Y190 A194 K195 E196 | D189-D192 PolarHBondContact OD1-N 3.04Å; Y190-D192 PolarHBondContact O-N 3.04Å; D192-A194 VanDerWaalsContact C-N 3.26Å; D192-A194 PolarHBondContact O-N 3.48Å; D192-K195 PolarHBondContact O-N 3.43Å; D192-K195 IonicContact OD1-NZ 3.62Å; D192-K195 PolarHBondContact OD1-NZ 3.05Å; D192-E196 WeakPolarHBondContact O-CG 3.05Å; D192-E196 PolarHBondContact O-N 2.83Å |
| 193 | Y | 78.6 | Confident | 69.8 | Low | 37 Ų | 37 | 47 Ų | 47 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.7 | -41.2 | 174 | -78.4 | -69 | 0 | 0 | 0 | 112.5 | S187 D189 Y190 K195 E196 I197 A615 H619 | S187-Y193 VanDerWaalsContact CB-CZ 3.43Å; S187-Y193 WeakPolarHBondContact O-CE2 3.2Å; S187-Y193 VanDerWaalsContact O-CZ 3.22Å; S187-Y193 PolarHBondContact O-OH 3.34Å; S187-Y193 WeakPolarHBondContact OG-CE1 3.39Å; S187-Y193 PolarHBondContact OG-OH 3.41Å; D189-Y193 VanDerWaalsContact O-CD2 3.29Å; D189-Y193 WeakPolarHBondContact O-CD2 3.39Å; Y190-Y193 PolarHBondContact O-N 3.05Å; Y193-K195 VanDerWaalsContact C-N 3.34Å; Y193-K195 PolarHBondContact O-N 3.32Å; Y193-E196 PolarHBondContact O-N 2.96Å; Y193-I197 PolarHBondContact O-N 3.36Å; Y193-I197 VanDerWaalsContact O-N 3.09Å; Y193-A615 HydrophobicContact CD1-CB 3.65Å; Y193-A615 HydrophobicContact CD2-CB 4.43Å; Y193-A615 HydrophobicContact CE1-CB 3.31Å; Y193-A615 HydrophobicContact CE2-CB 4.17Å; Y193-A615 HydrophobicContact CG-CB 4.22Å; Y193-H619 AromaticContact CD2-ND1 3.85Å; Y193-H619 AromaticContact CE2-CE1 3.42Å; Y193-H619 VanDerWaalsContact CE2-CE1 3.42Å; Y193-H619 WeakPolarHBondContact CE2-CE1 3.27Å; Y193-H619 AromaticContact CE2-ND1 3.45Å; Y193-H619 WeakPolarHBondContact CE2-ND1 3.25Å; Y193-H619 AromaticContact CE2-NE2 3.99Å |
| 194 | A | 80 | Confident | 72.2 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.9 | -45.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y190 D192 I197 Q198 F282 I289 L616 | Y190-A194 HydrophobicContact CE1-CB 4.31Å; Y190-A194 VanDerWaalsContact O-CB 3.22Å; Y190-A194 WeakPolarHBondContact O-CB 3.32Å; Y190-A194 PolarHBondContact O-N 2.95Å; D192-A194 VanDerWaalsContact C-N 3.26Å; D192-A194 PolarHBondContact O-N 3.48Å; A194-I197 PolarHBondContact O-N 3.22Å; A194-Q198 PolarHBondContact O-N 3.4Å; A194-Q198 VanDerWaalsContact O-N 3.13Å; A194-F282 VanDerWaalsContact C-CZ 3.42Å; A194-F282 HydrophobicContact CB-CE1 4.49Å; A194-F282 HydrophobicContact CB-CE2 4.19Å; A194-F282 HydrophobicContact CB-CZ 3.56Å; A194-F282 VanDerWaalsContact O-CE2 3.31Å; A194-F282 WeakPolarHBondContact O-CE2 3.48Å; A194-I289 HydrophobicContact CB-CD1 3.58Å; A194-L616 HydrophobicContact CB-CD1 4.14Å |
| 195 | K | 75.4 | Confident | 74.5 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.6 | -32.8 | 179.2 | -68.6 | 165.7 | -154.6 | 151.1 | 0 | 112.4 | K191 D192 Y193 Q198 Y199 F282 | K191-K195 WeakPolarHBondContact O-CD 3.37Å; K191-K195 VanDerWaalsContact O-CE 3.25Å; K191-K195 WeakPolarHBondContact O-CE 3.28Å; K191-K195 VanDerWaalsContact O-CG 3.28Å; K191-K195 WeakPolarHBondContact O-CG 3.26Å; K191-K195 PolarHBondContact O-N 3.42Å; D192-K195 PolarHBondContact O-N 3.43Å; D192-K195 IonicContact OD1-NZ 3.62Å; D192-K195 PolarHBondContact OD1-NZ 3.05Å; Y193-K195 VanDerWaalsContact C-N 3.34Å; Y193-K195 PolarHBondContact O-N 3.32Å; K195-Q198 WeakPolarHBondContact O-CB 3.24Å; K195-Q198 PolarHBondContact O-N 2.91Å; K195-Y199 PolarHBondContact O-N 3.33Å; K195-F282 HydrophobicContact CB-CZ 4.37Å; K195-F282 HydrophobicContact CG-CE1 3.93Å; K195-F282 HydrophobicContact CG-CZ 3.8Å |
| 196 | E | 75.4 | Confident | 76.5 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.9 | -37.5 | 175.9 | -65.8 | -56.7 | 144.5 | 0 | 0 | 111.4 | D192 Y193 Y199 L200 P667 F668 | D192-E196 WeakPolarHBondContact O-CG 3.05Å; D192-E196 PolarHBondContact O-N 2.83Å; Y193-E196 PolarHBondContact O-N 2.96Å; E196-Y199 PolarHBondContact O-N 3.16Å; E196-L200 WeakPolarHBondContact O-CB 3.43Å; E196-L200 PolarHBondContact O-N 3.29Å; E196-P667 VanDerWaalsContact OE1-CG 3.25Å; E196-P667 WeakPolarHBondContact OE1-CG 3.45Å; E196-P667 WeakPolarHBondContact OE2-CD 3.42Å; E196-P667 WeakPolarHBondContact OE2-CG 3.4Å; E196-F668 VanDerWaalsContact CD-CE2 3.43Å; E196-F668 HydrophobicContact CG-CD2 3.87Å; E196-F668 HydrophobicContact CG-CE2 3.47Å; E196-F668 VanDerWaalsContact CG-CE2 3.47Å; E196-F668 HydrophobicContact CG-CZ 4.42Å |
| 197 | I | 84 | Confident | 78.4 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 169.9 | -68.1 | 170.4 | 0 | 0 | 0 | 110.6 | Y193 A194 Y199 L200 L201 I278 L609 H612 I613 L616 | Y193-I197 PolarHBondContact O-N 3.36Å; Y193-I197 VanDerWaalsContact O-N 3.09Å; A194-I197 PolarHBondContact O-N 3.22Å; I197-Y199 PolarHBondContact O-N 3.23Å; I197-L200 PolarHBondContact O-N 3.22Å; I197-L201 HydrophobicContact CG2-CD1 3.78Å; I197-L201 HydrophobicContact CG2-CG 4.44Å; I197-L201 WeakPolarHBondContact O-CB 3.05Å; I197-L201 WeakPolarHBondContact O-CG 3.47Å; I197-L201 PolarHBondContact O-N 3.21Å; I197-I278 HydrophobicContact CG2-CD1 4.18Å; I197-L609 HydrophobicContact CB-CD1 4.49Å; I197-L609 HydrophobicContact CG1-CD1 4.17Å; I197-L609 HydrophobicContact CG2-CD1 3.81Å; I197-H612 HydrophobicContact CD1-CB 4.17Å; I197-H612 HydrophobicContact CG1-CB 3.76Å; I197-I613 HydrophobicContact CD1-CG1 4.02Å; I197-L616 HydrophobicContact CD1-CD2 4.07Å |
| 198 | Q | 80.2 | Confident | 79.9 | Confident | 30 Ų | 30 | 33.2 Ų | 33.2 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.4 | -45.7 | 175.4 | -170.8 | -170.7 | 30.3 | 0 | 0 | 112.4 | A194 K195 R202 I278 D279 F282 | A194-Q198 PolarHBondContact O-N 3.4Å; A194-Q198 VanDerWaalsContact O-N 3.13Å; K195-Q198 WeakPolarHBondContact O-CB 3.24Å; K195-Q198 PolarHBondContact O-N 2.91Å; Q198-R202 VanDerWaalsContact NE2-NH1 3.18Å; Q198-R202 WeakPolarHBondContact O-CB 3.48Å; Q198-R202 WeakPolarHBondContact O-CG 3.39Å; Q198-R202 PolarHBondContact O-N 3.06Å; Q198-I278 HydrophobicContact CB-CG2 4.15Å; Q198-I278 HydrophobicContact CG-CG2 4.38Å; Q198-D279 WeakPolarHBondContact CG-OD1 3.2Å; Q198-D279 PolarHBondContact NE2-OD1 2.71Å; Q198-F282 HydrophobicContact CB-CD2 3.98Å; Q198-F282 HydrophobicContact CB-CE2 3.78Å; Q198-F282 HydrophobicContact CG-CD2 4.03Å; Q198-F282 HydrophobicContact CG-CE2 4.35Å |
| 199 | Y | 76.5 | Confident | 81 | Confident | 97 Ų | 97 | 29.7 Ų | 29.7 | 38% | 0.38 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66.1 | -46.5 | 178.5 | -178 | -91.6 | 0 | 0 | 0 | 111.7 | K195 E196 I197 L201 F203 K665 T666 | K195-Y199 PolarHBondContact O-N 3.33Å; E196-Y199 PolarHBondContact O-N 3.16Å; I197-Y199 PolarHBondContact O-N 3.23Å; Y199-L201 PolarHBondContact O-N 3.32Å; Y199-F203 WeakPolarHBondContact O-CB 3.4Å; Y199-F203 PolarHBondContact O-N 2.88Å; Y199-F203 VanDerWaalsContact O-N 3.08Å; Y199-K665 PolarHBondContact OH-O 3.12Å; Y199-T666 HydrophobicContact CD1-CG2 4.42Å |
| 200 | L | 81.5 | Confident | 81.8 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.8 | -48.5 | 179 | 177.2 | 60.9 | 0 | 0 | 0 | 111.1 | E196 I197 F203 S204 Q605 L609 T666 | E196-L200 WeakPolarHBondContact O-CB 3.43Å; E196-L200 PolarHBondContact O-N 3.29Å; I197-L200 PolarHBondContact O-N 3.22Å; L200-F203 CarbonylContact O-C 3.58Å; L200-F203 PolarHBondContact O-N 3.19Å; L200-S204 PolarHBondContact O-N 2.89Å; L200-S204 PolarHBondContact O-OG 3.49Å; L200-Q605 HydrophobicContact CD1-CB 4.32Å; L200-Q605 HydrophobicContact CD1-CG 4.13Å; L200-L609 HydrophobicContact CD2-CB 3.96Å; L200-L609 HydrophobicContact CD2-CD1 4.5Å; L200-T666 HydrophobicContact CD1-CG2 4.19Å |
| 201 | L | 84.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.2 | -51.2 | -179.9 | -72.4 | 167.4 | 0 | 0 | 0 | 112.3 | I197 Y199 F203 S204 V205 V271 L274 I278 L609 | I197-L201 HydrophobicContact CG2-CD1 3.78Å; I197-L201 HydrophobicContact CG2-CG 4.44Å; I197-L201 WeakPolarHBondContact O-CB 3.05Å; I197-L201 WeakPolarHBondContact O-CG 3.47Å; I197-L201 PolarHBondContact O-N 3.21Å; Y199-L201 PolarHBondContact O-N 3.32Å; L201-F203 PolarHBondContact O-N 2.88Å; L201-S204 WeakPolarHBondContact O-CB 3.31Å; L201-S204 PolarHBondContact O-N 3.46Å; L201-V205 WeakPolarHBondContact O-CG2 3.49Å; L201-V205 PolarHBondContact O-N 3.46Å; L201-V271 HydrophobicContact CD2-CG1 4.31Å; L201-L274 HydrophobicContact CD1-CD2 4.46Å; L201-L274 HydrophobicContact CD1-CG 4.06Å; L201-L274 HydrophobicContact CD2-CD2 3.94Å; L201-L274 HydrophobicContact CD2-CG 4.17Å; L201-I278 HydrophobicContact CD1-CB 4.35Å; L201-I278 HydrophobicContact CD1-CD1 3.45Å; L201-I278 VanDerWaalsContact CD1-CD1 3.45Å; L201-I278 HydrophobicContact CD1-CG1 4.44Å; L201-I278 HydrophobicContact CD1-CG2 4.44Å; L201-L609 HydrophobicContact CD2-CD2 4.24Å |
| 202 | R | 80.9 | Confident | 82.8 | Confident | 109 Ų | 109 | 22.6 Ų | 22.6 | 41% | 0.411 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -52.4 | -31.8 | 174.2 | -78.9 | 175.1 | 159.2 | 153.3 | -0.6 | 112.7 | Q198 Q206 S275 D279 | Q198-R202 VanDerWaalsContact NE2-NH1 3.18Å; Q198-R202 WeakPolarHBondContact O-CB 3.48Å; Q198-R202 WeakPolarHBondContact O-CG 3.39Å; Q198-R202 PolarHBondContact O-N 3.06Å; R202-Q206 PolarHBondContact O-N 3.16Å; R202-Q206 PolarHBondContact O-NE2 3.27Å; R202-S275 WeakPolarHBondContact CA-OG 3.18Å; R202-S275 WeakPolarHBondContact CG-OG 2.93Å; R202-S275 PolarHBondContact N-OG 2.96Å; R202-D279 IonicContact CZ-OD1 3.34Å; R202-D279 IonicContact CZ-OD2 2.98Å; R202-D279 VanDerWaalsContact NE-CG 3.27Å; R202-D279 IonicContact NE-OD1 3.65Å; R202-D279 PolarHBondContact NE-OD1 3.25Å; R202-D279 IonicContact NE-OD2 2.77Å; R202-D279 PolarHBondContact NE-OD2 3.37Å; R202-D279 IonicContact NH1-OD1 2.72Å; R202-D279 IonicContact NH2-OD1 3.92Å; R202-D279 PolarHBondContact NH2-OD1 3.26Å; R202-D279 IonicContact NH2-OD2 3.69Å; R202-D279 PolarHBondContact NH2-OD2 2.97Å |
| 203 | F | 80.6 | Confident | 83.4 | Confident | 13 Ų | 13 | 23.6 Ų | 23.6 | 6% | 0.057 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -89.1 | -29.6 | -177.3 | -164.6 | -115 | 0 | 0 | 0 | 112.9 | Y199 L200 L201 Q206 H207 F663 L664 K665 | Y199-F203 WeakPolarHBondContact O-CB 3.4Å; Y199-F203 PolarHBondContact O-N 2.88Å; Y199-F203 VanDerWaalsContact O-N 3.08Å; L200-F203 CarbonylContact O-C 3.58Å; L200-F203 PolarHBondContact O-N 3.19Å; L201-F203 PolarHBondContact O-N 2.88Å; F203-Q206 PolarHBondContact O-N 3.13Å; F203-H207 AromaticContact CD1-CE1 3.86Å; F203-H207 AromaticContact CE1-CE1 3.12Å; F203-H207 WeakPolarHBondContact CE1-CE1 3.32Å; F203-H207 AromaticContact CE1-ND1 3.81Å; F203-H207 AromaticContact CE1-NE2 3.76Å; F203-H207 AromaticContact CZ-CE1 3.35Å; F203-H207 WeakPolarHBondContact CZ-CE1 3.42Å; F203-H207 AromaticContact CZ-NE2 3.47Å; F203-H207 WeakPolarHBondContact CZ-NE2 3.44Å; F203-H207 PolarHBondContact O-N 3.36Å; F203-H207 VanDerWaalsContact O-N 3.08Å; F203-F663 WeakPolarHBondContact CE1-O 3.14Å; F203-F663 WeakPolarHBondContact CZ-O 3.21Å; F203-L664 VanDerWaalsContact CD1-O 3.26Å; F203-L664 WeakPolarHBondContact CD1-O 3.32Å; F203-L664 VanDerWaalsContact CE1-C 3.42Å; F203-L664 WeakPolarHBondContact CE1-O 3.4Å; F203-K665 HydrophobicContact CE1-CB 3.89Å; F203-K665 HydrophobicContact CZ-CB 3.84Å; F203-K665 HydrophobicContact CZ-CD 4.02Å; F203-K665 HydrophobicContact CZ-CG 4.18Å |
| 204 | S | 85.1 | Confident | 83.9 | Confident | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -45 | 164.1 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | L200 L201 Q206 H207 L208 Q605 | L200-S204 PolarHBondContact O-N 2.89Å; L200-S204 PolarHBondContact O-OG 3.49Å; L201-S204 WeakPolarHBondContact O-CB 3.31Å; L201-S204 PolarHBondContact O-N 3.46Å; S204-Q206 VanDerWaalsContact C-N 3.31Å; S204-Q206 PolarHBondContact O-N 3.41Å; S204-H207 PolarHBondContact O-N 3.41Å; S204-H207 VanDerWaalsContact O-N 3.15Å; S204-L208 WeakPolarHBondContact O-CB 3.43Å; S204-L208 WeakPolarHBondContact O-CG 3.47Å; S204-L208 PolarHBondContact O-N 3.48Å; S204-Q605 WeakPolarHBondContact OG-CB 3.44Å; S204-Q605 PolarHBondContact OG-NE2 2.92Å; S204-Q605 PolarHBondContact OG-OE1 2.9Å |
| 205 | V | 85 | Confident | 84.4 | Confident | 29 Ų | 29 | 21.9 Ų | 21.9 | 18% | 0.176 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -55.1 | -46 | 172 | 176.2 | 0 | 0 | 0 | 0 | 111 | L201 H207 G209 V271 T272 | L201-V205 WeakPolarHBondContact O-CG2 3.49Å; L201-V205 PolarHBondContact O-N 3.46Å; V205-H207 VanDerWaalsContact C-N 3.34Å; V205-H207 PolarHBondContact O-N 3.35Å; V205-G209 PolarHBondContact O-N 3Å; V205-V271 HydrophobicContact CG2-CG1 3.97Å; V205-T272 HydrophobicContact CG1-CG2 4.45Å |
| 206 | Q | 84.4 | Confident | 84.9 | Confident | 51 Ų | 51 | 19.9 Ų | 19.9 | 24% | 0.238 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.9 | -36.3 | 178.2 | -78.4 | 161.1 | 76 | 0 | 0 | 113.4 | R202 F203 S204 I210 | R202-Q206 PolarHBondContact O-N 3.16Å; R202-Q206 PolarHBondContact O-NE2 3.27Å; F203-Q206 PolarHBondContact O-N 3.13Å; S204-Q206 VanDerWaalsContact C-N 3.31Å; S204-Q206 PolarHBondContact O-N 3.41Å; Q206-I210 WeakPolarHBondContact O-CG1 3.22Å; Q206-I210 PolarHBondContact O-N 3.06Å |
| 207 | H | 87.1 | Confident | 85.3 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.009 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -77.2 | -44.4 | 178 | -73.5 | 157.7 | 0 | 0 | 0 | 113.1 | F203 S204 V205 G209 I210 I211 L601 Q605 F663 Y928 | F203-H207 AromaticContact CD1-CE1 3.86Å; F203-H207 AromaticContact CE1-CE1 3.12Å; F203-H207 WeakPolarHBondContact CE1-CE1 3.32Å; F203-H207 AromaticContact CE1-ND1 3.81Å; F203-H207 AromaticContact CE1-NE2 3.76Å; F203-H207 AromaticContact CZ-CE1 3.35Å; F203-H207 WeakPolarHBondContact CZ-CE1 3.42Å; F203-H207 AromaticContact CZ-NE2 3.47Å; F203-H207 WeakPolarHBondContact CZ-NE2 3.44Å; F203-H207 PolarHBondContact O-N 3.36Å; F203-H207 VanDerWaalsContact O-N 3.08Å; S204-H207 PolarHBondContact O-N 3.41Å; S204-H207 VanDerWaalsContact O-N 3.15Å; V205-H207 VanDerWaalsContact C-N 3.34Å; V205-H207 PolarHBondContact O-N 3.35Å; H207-G209 VanDerWaalsContact C-N 3.25Å; H207-G209 PolarHBondContact O-N 3.28Å; H207-I210 PolarHBondContact O-N 3.1Å; H207-I211 PolarHBondContact O-N 3.1Å; H207-I211 VanDerWaalsContact O-N 3.12Å; H207-L601 HydrophobicContact CB-CD2 4.28Å; H207-L601 VanDerWaalsContact CE1-CD2 3.42Å; H207-L601 WeakPolarHBondContact CE1-CD2 3.42Å; H207-L601 VanDerWaalsContact ND1-CD2 3.26Å; H207-L601 WeakPolarHBondContact ND1-CD2 3.22Å; H207-Q605 PolarHBondContact ND1-NE2 3.34Å; H207-F663 PolarHBondContact CE1-O 3.32Å; H207-F663 VanDerWaalsContact CE1-O 3.26Å; H207-Y928 AromaticContact NE2-CZ 3.96Å; H207-Y928 PolarHBondContact NE2-OH 2.99Å |
| 208 | L | 89.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.6 | -39.3 | 172 | -77.1 | 158.5 | 0 | 0 | 0 | 111 | S204 I210 I211 V212 V267 H268 V271 P602 | S204-L208 WeakPolarHBondContact O-CB 3.43Å; S204-L208 WeakPolarHBondContact O-CG 3.47Å; S204-L208 PolarHBondContact O-N 3.48Å; L208-I210 VanDerWaalsContact C-N 3.31Å; L208-I210 PolarHBondContact O-N 3.31Å; L208-I211 PolarHBondContact O-N 2.83Å; L208-I211 VanDerWaalsContact O-N 3.11Å; L208-V212 WeakPolarHBondContact O-CG2 3.31Å; L208-V212 PolarHBondContact O-N 3.17Å; L208-V267 HydrophobicContact CD1-CG1 3.89Å; L208-V267 HydrophobicContact CD2-CB 4.26Å; L208-V267 HydrophobicContact CD2-CG1 3.98Å; L208-H268 HydrophobicContact CB-CB 3.9Å; L208-V271 HydrophobicContact CD1-CB 4Å; L208-V271 HydrophobicContact CD1-CG1 4.14Å; L208-V271 HydrophobicContact CD1-CG2 4.05Å; L208-P602 HydrophobicContact CD2-CB 3.99Å; L208-P602 HydrophobicContact CD2-CG 3.5Å; L208-P602 HydrophobicContact CG-CB 4.36Å; L208-P602 HydrophobicContact CG-CG 3.92Å |
| 209 | G | 87.7 | Confident | 85.5 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.2 | -30 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V205 H207 L213 | V205-G209 PolarHBondContact O-N 3Å; H207-G209 VanDerWaalsContact C-N 3.25Å; H207-G209 PolarHBondContact O-N 3.28Å; G209-L213 WeakPolarHBondContact O-CA 3.41Å; G209-L213 VanDerWaalsContact O-CB 3.26Å; G209-L213 WeakPolarHBondContact O-CB 3.39Å; G209-L213 PolarHBondContact O-N 2.7Å |
| 210 | I | 89.5 | Confident | 85.9 | Confident | 8 Ų | 8 | 17.8 Ų | 17.8 | 4% | 0.041 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -72.8 | -40.9 | 171 | -62.1 | 167 | 0 | 0 | 0 | 110.5 | Q206 H207 L208 I214 F215 L598 F935 L939 | Q206-I210 WeakPolarHBondContact O-CG1 3.22Å; Q206-I210 PolarHBondContact O-N 3.06Å; H207-I210 PolarHBondContact O-N 3.1Å; L208-I210 VanDerWaalsContact C-N 3.31Å; L208-I210 PolarHBondContact O-N 3.31Å; I210-I214 HydrophobicContact CG1-CD1 4.33Å; I210-I214 HydrophobicContact CG2-CD1 4.45Å; I210-I214 WeakPolarHBondContact O-CB 3.23Å; I210-F215 HydrophobicContact CG2-CD2 4.27Å; I210-F215 HydrophobicContact CG2-CE2 4Å; I210-F215 WeakPolarHBondContact O-CD2 3.09Å; I210-F215 PolarHBondContact O-N 2.73Å; I210-L598 HydrophobicContact CB-CD1 4.43Å; I210-L598 HydrophobicContact CG2-CD1 3.61Å; I210-F935 HydrophobicContact CD1-CB 4.24Å; I210-F935 HydrophobicContact CD1-CD2 4.15Å; I210-F935 HydrophobicContact CG1-CB 4.16Å; I210-F935 HydrophobicContact CG1-CD2 4.32Å; I210-F935 HydrophobicContact CG2-CD2 3.83Å; I210-F935 HydrophobicContact CG2-CE2 4.04Å; I210-L939 HydrophobicContact CG1-CD1 3.75Å |
| 211 | I | 91.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -63.1 | -49.8 | 178.7 | -61.6 | 164.9 | 0 | 0 | 0 | 110.2 | H207 L208 F215 G216 F261 A264 L598 L599 P602 | H207-I211 PolarHBondContact O-N 3.1Å; H207-I211 VanDerWaalsContact O-N 3.12Å; L208-I211 PolarHBondContact O-N 2.83Å; L208-I211 VanDerWaalsContact O-N 3.11Å; I211-F215 WeakPolarHBondContact O-CB 3.46Å; I211-G216 PolarHBondContact O-N 3.16Å; I211-F261 HydrophobicContact CG2-CD1 4.2Å; I211-F261 HydrophobicContact CG2-CE1 4.22Å; I211-A264 HydrophobicContact CG2-CB 3.79Å; I211-L598 HydrophobicContact CD1-CB 4.41Å; I211-L598 WeakPolarHBondContact CD1-O 3.23Å; I211-L598 HydrophobicContact CG1-CB 3.99Å; I211-L599 HydrophobicContact CG2-CD2 3.7Å; I211-P602 HydrophobicContact CD1-CG 3.94Å |
| 212 | V | 88.9 | Confident | 85.9 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.03 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -81.1 | -65 | -174.7 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | L208 I214 G216 D217 A264 H268 | L208-V212 WeakPolarHBondContact O-CG2 3.31Å; L208-V212 PolarHBondContact O-N 3.17Å; V212-I214 VanDerWaalsContact C-N 3.29Å; V212-I214 PolarHBondContact O-N 2.97Å; V212-G216 CarbonylContact O-C 3.57Å; V212-G216 WeakPolarHBondContact O-CA 3.28Å; V212-G216 PolarHBondContact O-N 3.38Å; V212-G216 VanDerWaalsContact O-N 3.09Å; V212-D217 WeakPolarHBondContact O-CB 3.48Å; V212-D217 PolarHBondContact O-N 2.78Å; V212-A264 HydrophobicContact CG2-CB 3.92Å; V212-H268 HydrophobicContact CG2-CB 4.03Å |
| 213 | L | 85.5 | Confident | 86.2 | Confident | 46 Ų | 46 | 23.2 Ų | 23.2 | 24% | 0.241 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -79 | -3 | -166.7 | -49.6 | 175.4 | 0 | 0 | 0 | 115.1 | G209 D217 L939 L942 | G209-L213 WeakPolarHBondContact O-CA 3.41Å; G209-L213 VanDerWaalsContact O-CB 3.26Å; G209-L213 WeakPolarHBondContact O-CB 3.39Å; G209-L213 PolarHBondContact O-N 2.7Å; L213-D217 VanDerWaalsContact CD2-OD2 3.27Å; L213-D217 WeakPolarHBondContact CD2-OD2 3.26Å; L213-L939 HydrophobicContact CB-CD2 3.91Å; L213-L939 HydrophobicContact CD1-CD2 3.89Å; L213-L939 HydrophobicContact CG-CD2 4.46Å; L213-L942 HydrophobicContact CB-CD1 4.31Å; L213-L942 HydrophobicContact CD1-CD1 4.12Å |
| 214 | I | 87.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -123.6 | -30.2 | 179.1 | -65.1 | 177.4 | 0 | 0 | 0 | 113 | I210 V212 S218 I341 M587 F935 Y938 L939 | I210-I214 HydrophobicContact CG1-CD1 4.33Å; I210-I214 HydrophobicContact CG2-CD1 4.45Å; I210-I214 WeakPolarHBondContact O-CB 3.23Å; V212-I214 VanDerWaalsContact C-N 3.29Å; V212-I214 PolarHBondContact O-N 2.97Å; I214-S218 WeakPolarHBondContact O-CB 3.19Å; I214-S218 PolarHBondContact O-OG 3.48Å; I214-S218 VanDerWaalsContact O-OG 3.08Å; I214-I341 HydrophobicContact CG2-CD1 3.87Å; I214-M587 HydrophobicContact CG2-CE 3.78Å; I214-F935 HydrophobicContact CD1-CB 3.64Å; I214-F935 HydrophobicContact CD1-CD1 3.69Å; I214-F935 HydrophobicContact CD1-CD2 4.46Å; I214-F935 HydrophobicContact CD1-CE1 4.41Å; I214-F935 HydrophobicContact CD1-CG 3.7Å; I214-F935 HydrophobicContact CG2-CD1 4.24Å; I214-F935 HydrophobicContact CG2-CE1 3.93Å; I214-F935 HydrophobicContact CG2-CZ 4.21Å; I214-Y938 HydrophobicContact CD1-CD1 3.91Å; I214-Y938 HydrophobicContact CD1-CE1 4.47Å; I214-Y938 HydrophobicContact CG1-CD1 3.82Å; I214-Y938 HydrophobicContact CG1-CE1 3.87Å; I214-L939 HydrophobicContact CD1-CD1 4.37Å; I214-L939 HydrophobicContact CD1-CD2 4.31Å; I214-L939 HydrophobicContact CD1-CG 4.15Å; I214-L939 HydrophobicContact CG1-CD2 4.4Å |
| 215 | F | 90.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -109.8 | -53 | 175.4 | -67.4 | -72.3 | 0 | 0 | 0 | 112.7 | I210 I211 S218 L219 F261 M587 A590 F591 L595 L598 F935 | I210-F215 HydrophobicContact CG2-CD2 4.27Å; I210-F215 HydrophobicContact CG2-CE2 4Å; I210-F215 WeakPolarHBondContact O-CD2 3.09Å; I210-F215 PolarHBondContact O-N 2.73Å; I211-F215 WeakPolarHBondContact O-CB 3.46Å; F215-S218 PolarHBondContact O-N 2.96Å; F215-L219 WeakPolarHBondContact O-CB 3.12Å; F215-L219 WeakPolarHBondContact O-CD1 3.33Å; F215-L219 VanDerWaalsContact O-CG 3.22Å; F215-L219 WeakPolarHBondContact O-CG 3.32Å; F215-L219 PolarHBondContact O-N 3.45Å; F215-F261 HydrophobicContact CB-CE1 4Å; F215-F261 HydrophobicContact CB-CZ 4.08Å; F215-M587 HydrophobicContact CD1-CE 4.44Å; F215-M587 HydrophobicContact CE1-CE 3.79Å; F215-M587 HydrophobicContact CZ-CE 4.09Å; F215-A590 HydrophobicContact CE1-CB 4.47Å; F215-A590 HydrophobicContact CZ-CB 3.96Å; F215-F591 AromaticContact CD1-CD2 3.99Å; F215-F591 HydrophobicContact CD1-CD2 3.99Å; F215-F591 HydrophobicContact CE1-CB 4.14Å; F215-F591 HydrophobicContact CE1-CD2 4.38Å; F215-L595 HydrophobicContact CB-CD1 4.28Å; F215-L595 HydrophobicContact CB-CD2 4.46Å; F215-L595 HydrophobicContact CD2-CD1 3.94Å; F215-L595 HydrophobicContact CG-CD1 4.16Å; F215-L595 HydrophobicContact CG-CD2 4.43Å; F215-L598 HydrophobicContact CE2-CD1 4.19Å; F215-F935 HydrophobicContact CZ-CZ 4.48Å |
| 216 | G | 87.6 | Confident | 86.2 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -61.9 | -59.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I211 V212 S218 L219 M220 F261 | I211-G216 PolarHBondContact O-N 3.16Å; V212-G216 CarbonylContact O-C 3.57Å; V212-G216 WeakPolarHBondContact O-CA 3.28Å; V212-G216 PolarHBondContact O-N 3.38Å; V212-G216 VanDerWaalsContact O-N 3.09Å; G216-S218 PolarHBondContact O-N 3.48Å; G216-L219 PolarHBondContact O-N 2.8Å; G216-M220 VanDerWaalsContact O-CG 3.3Å; G216-M220 WeakPolarHBondContact O-CG 3.49Å; G216-M220 PolarHBondContact O-N 2.97Å; G216-F261 VanDerWaalsContact CA-CD1 3.49Å |
| 217 | D | 82.2 | Confident | 86.2 | Confident | 32 Ų | 32 | 29.1 Ų | 29.1 | 17% | 0.171 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -24.1 | 177.5 | -87.5 | 19.7 | 0 | 0 | 0 | 114.5 | V212 L213 R1052 | V212-D217 WeakPolarHBondContact O-CB 3.48Å; V212-D217 PolarHBondContact O-N 2.78Å; L213-D217 VanDerWaalsContact CD2-OD2 3.27Å; L213-D217 WeakPolarHBondContact CD2-OD2 3.26Å; D217-R1052 VanDerWaalsContact CB-NH1 3.34Å; D217-R1052 PolarHBondContact O-NH2 3.06Å; D217-R1052 IonicContact OD1-NE 3.55Å; D217-R1052 WeakPolarHBondContact OD2-CD 3.28Å; D217-R1052 IonicContact OD2-CZ 2.69Å; D217-R1052 IonicContact OD2-NE 3.44Å; D217-R1052 IonicContact OD2-NH1 3.79Å; D217-R1052 PolarHBondContact OD2-NH1 3.38Å |
| 218 | S | 82.8 | Confident | 85.9 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -14 | 178.9 | -69.6 | 0 | 0 | 0 | 0 | 113.3 | I214 F215 G216 T333 | I214-S218 WeakPolarHBondContact O-CB 3.19Å; I214-S218 PolarHBondContact O-OG 3.48Å; I214-S218 VanDerWaalsContact O-OG 3.08Å; F215-S218 PolarHBondContact O-N 2.96Å; G216-S218 PolarHBondContact O-N 3.48Å; S218-T333 VanDerWaalsContact O-CG2 3.24Å; S218-T333 WeakPolarHBondContact O-CG2 3.37Å |
| 219 | L | 87.2 | Confident | 85.4 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -27.4 | -171.8 | -71.8 | 176.2 | 0 | 0 | 0 | 113.8 | F215 G216 E221 E222 L223 F261 I330 I334 F591 | F215-L219 WeakPolarHBondContact O-CB 3.12Å; F215-L219 WeakPolarHBondContact O-CD1 3.33Å; F215-L219 VanDerWaalsContact O-CG 3.22Å; F215-L219 WeakPolarHBondContact O-CG 3.32Å; F215-L219 PolarHBondContact O-N 3.45Å; G216-L219 PolarHBondContact O-N 2.8Å; L219-E221 VanDerWaalsContact C-N 3.27Å; L219-E221 PolarHBondContact O-N 2.63Å; L219-E222 PolarHBondContact O-N 2.95Å; L219-L223 HydrophobicContact CB-CD1 3.83Å; L219-L223 HydrophobicContact CB-CG 4.16Å; L219-L223 VanDerWaalsContact O-CB 3.25Å; L219-L223 WeakPolarHBondContact O-CB 3.43Å; L219-L223 WeakPolarHBondContact O-CG 3.27Å; L219-L223 PolarHBondContact O-N 3.36Å; L219-F261 HydrophobicContact CD1-CE2 4.3Å; L219-F261 HydrophobicContact CD1-CZ 4.36Å; L219-I330 HydrophobicContact CD2-CG2 3.87Å; L219-I334 HydrophobicContact CD1-CD1 4.47Å; L219-I334 HydrophobicContact CD2-CD1 4.17Å; L219-I334 HydrophobicContact CD2-CG1 3.84Å; L219-F591 HydrophobicContact CD1-CD2 4.09Å; L219-F591 HydrophobicContact CD1-CE2 3.47Å; L219-F591 VanDerWaalsContact CD1-CE2 3.47Å; L219-F591 HydrophobicContact CD1-CZ 4.2Å |
| 220 | M | 84.4 | Confident | 85 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 24% | 0.236 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.2 | -32.7 | -170.7 | -76.6 | -64.8 | -78.3 | 0 | 0 | 114.6 | G216 S224 Q258 F261 D262 | G216-M220 VanDerWaalsContact O-CG 3.3Å; G216-M220 WeakPolarHBondContact O-CG 3.49Å; G216-M220 PolarHBondContact O-N 2.97Å; M220-S224 WeakPolarHBondContact O-CB 3.44Å; M220-S224 PolarHBondContact O-N 3.44Å; M220-S224 VanDerWaalsContact O-N 3.09Å; M220-S224 PolarHBondContact O-OG 3.45Å; M220-Q258 HydrophobicContact CE-CB 4.25Å; M220-Q258 HydrophobicContact CE-CG 4.31Å; M220-Q258 HydrophobicContact SD-CB 4.11Å; M220-Q258 HydrophobicContact SD-CG 3.83Å; M220-F261 HydrophobicContact SD-CB 4.14Å; M220-F261 HydrophobicContact SD-CD2 4.49Å; M220-D262 WeakPolarHBondContact CE-OD1 3.34Å |
| 221 | E | 80.7 | Confident | 84.7 | Confident | 166 Ų | 166 | 38.9 Ų | 38.9 | 78% | 0.776 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -68.7 | -56.1 | 176 | -173.7 | 175.1 | -179.5 | 0 | 0 | 111.3 | L219 L223 S224 H225 | L219-E221 VanDerWaalsContact C-N 3.27Å; L219-E221 PolarHBondContact O-N 2.63Å; E221-L223 PolarHBondContact O-N 3.2Å; E221-S224 WeakPolarHBondContact O-CA 3.49Å; E221-S224 WeakPolarHBondContact O-CB 3.37Å; E221-S224 PolarHBondContact O-N 3.24Å; E221-H225 PolarHBondContact O-N 3.2Å |
| 222 | E | 84.6 | Confident | 83.9 | Confident | 62 Ų | 62 | 41.5 Ų | 41.5 | 29% | 0.29 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 177.8 | -75.3 | -84.4 | -158 | 0 | 0 | 112.6 | L219 S224 H225 V226 T333 | L219-E222 PolarHBondContact O-N 2.95Å; E222-S224 VanDerWaalsContact C-N 3.27Å; E222-S224 PolarHBondContact O-N 3.16Å; E222-H225 PolarHBondContact O-N 3.48Å; E222-V226 WeakPolarHBondContact O-CB 3.41Å; E222-V226 VanDerWaalsContact O-CG2 3.29Å; E222-V226 WeakPolarHBondContact O-CG2 3.33Å; E222-V226 PolarHBondContact O-N 2.9Å; E222-T333 HydrophobicContact CG-CG2 3.92Å; E222-T333 PolarHBondContact OE1-OG1 3.36Å |
| 223 | L | 87.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.3 | -39.7 | 171.8 | -73.6 | 174.2 | 0 | 0 | 0 | 110.9 | L219 E221 R227 I254 A257 Q258 F261 L324 I330 | L219-L223 HydrophobicContact CB-CD1 3.83Å; L219-L223 HydrophobicContact CB-CG 4.16Å; L219-L223 VanDerWaalsContact O-CB 3.25Å; L219-L223 WeakPolarHBondContact O-CB 3.43Å; L219-L223 WeakPolarHBondContact O-CG 3.27Å; L219-L223 PolarHBondContact O-N 3.36Å; E221-L223 PolarHBondContact O-N 3.2Å; L223-R227 WeakPolarHBondContact O-CB 3.12Å; L223-R227 PolarHBondContact O-N 2.94Å; L223-I254 HydrophobicContact CB-CG2 4.15Å; L223-I254 HydrophobicContact CD2-CB 4.41Å; L223-I254 HydrophobicContact CD2-CG1 3.95Å; L223-I254 HydrophobicContact CD2-CG2 4.17Å; L223-I254 WeakPolarHBondContact O-CG2 3.47Å; L223-A257 HydrophobicContact CD1-CB 4.23Å; L223-Q258 HydrophobicContact CB-CG 4.07Å; L223-Q258 HydrophobicContact CD1-CG 4.1Å; L223-F261 HydrophobicContact CD1-CD2 4.48Å; L223-F261 HydrophobicContact CD1-CE2 4.45Å; L223-L324 HydrophobicContact CD2-CD1 3.95Å; L223-L324 HydrophobicContact CD2-CD2 4.07Å; L223-I330 HydrophobicContact CD2-CD1 3.93Å |
| 224 | S | 85.6 | Confident | 82.4 | Confident | 34 Ų | 34 | 41.9 Ų | 41.9 | 24% | 0.238 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.6 | -39.9 | 176.7 | -62 | 0 | 0 | 0 | 0 | 112.4 | M220 E221 E222 R227 I228 Q258 | M220-S224 WeakPolarHBondContact O-CB 3.44Å; M220-S224 PolarHBondContact O-N 3.44Å; M220-S224 VanDerWaalsContact O-N 3.09Å; M220-S224 PolarHBondContact O-OG 3.45Å; E221-S224 WeakPolarHBondContact O-CA 3.49Å; E221-S224 WeakPolarHBondContact O-CB 3.37Å; E221-S224 PolarHBondContact O-N 3.24Å; E222-S224 VanDerWaalsContact C-N 3.27Å; E222-S224 PolarHBondContact O-N 3.16Å; S224-R227 WeakPolarHBondContact O-CB 3.22Å; S224-R227 PolarHBondContact O-N 3Å; S224-I228 WeakPolarHBondContact O-CD1 3.49Å; S224-I228 VanDerWaalsContact O-CG1 3.29Å; S224-I228 WeakPolarHBondContact O-CG1 3.43Å; S224-I228 PolarHBondContact O-N 3.46Å; S224-I228 VanDerWaalsContact O-N 3.08Å; S224-Q258 PolarHBondContact OG-NE2 2.94Å |
| 225 | H | 81.8 | Confident | 81.4 | Confident | 114 Ų | 114 | 47.4 Ų | 47.4 | 53% | 0.528 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -51.8 | 175.6 | 179.2 | -122.1 | 0 | 0 | 0 | 111.6 | E221 E222 R227 I228 V229 | E221-H225 PolarHBondContact O-N 3.2Å; E222-H225 PolarHBondContact O-N 3.48Å; H225-R227 VanDerWaalsContact C-N 3.28Å; H225-R227 PolarHBondContact O-N 3.27Å; H225-I228 PolarHBondContact O-N 2.88Å; H225-V229 WeakPolarHBondContact O-CG2 3.49Å; H225-V229 PolarHBondContact O-N 3.35Å; H225-V229 VanDerWaalsContact O-N 3.12Å |
| 226 | V | 82.8 | Confident | 79.9 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 176.9 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | E222 T230 L250 I254 | E222-V226 WeakPolarHBondContact O-CB 3.41Å; E222-V226 VanDerWaalsContact O-CG2 3.29Å; E222-V226 WeakPolarHBondContact O-CG2 3.33Å; E222-V226 PolarHBondContact O-N 2.9Å; V226-T230 VanDerWaalsContact O-CB 3.3Å; V226-T230 WeakPolarHBondContact O-CB 3.42Å; V226-T230 PolarHBondContact O-N 3.29Å; V226-T230 PolarHBondContact O-OG1 2.72Å; V226-L250 HydrophobicContact CG1-CD2 4.08Å; V226-I254 HydrophobicContact CB-CD1 4.08Å; V226-I254 HydrophobicContact CG1-CD1 3.62Å |
| 227 | R | 84.7 | Confident | 78.3 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 25% | 0.253 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.8 | -52.7 | 172.1 | -166.8 | -175.3 | 66.4 | -129.3 | -5.7 | 111.1 | L223 S224 H225 V229 T230 E231 L251 I254 | L223-R227 WeakPolarHBondContact O-CB 3.12Å; L223-R227 PolarHBondContact O-N 2.94Å; S224-R227 WeakPolarHBondContact O-CB 3.22Å; S224-R227 PolarHBondContact O-N 3Å; H225-R227 VanDerWaalsContact C-N 3.28Å; H225-R227 PolarHBondContact O-N 3.27Å; R227-V229 PolarHBondContact O-N 3.44Å; R227-T230 PolarHBondContact O-N 3.38Å; R227-E231 HydrophobicContact CG-CG 4.35Å; R227-E231 WeakPolarHBondContact CG-OE2 3.38Å; R227-E231 IonicContact NE-OE2 3.68Å; R227-E231 WeakPolarHBondContact O-CB 2.96Å; R227-E231 WeakPolarHBondContact O-CG 3.26Å; R227-E231 PolarHBondContact O-N 3.12Å; R227-L251 HydrophobicContact CG-CD1 3.63Å; R227-I254 HydrophobicContact CB-CG2 3.95Å; R227-I254 HydrophobicContact CG-CG2 4.26Å |
| 228 | I | 81.7 | Confident | 76.9 | Confident | 100 Ų | 100 | 63.1 Ų | 63.1 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.1 | -47.7 | -177.9 | -68.4 | 162.6 | 0 | 0 | 0 | 110.7 | S224 H225 T230 E231 S232 | S224-I228 WeakPolarHBondContact O-CD1 3.49Å; S224-I228 VanDerWaalsContact O-CG1 3.29Å; S224-I228 WeakPolarHBondContact O-CG1 3.43Å; S224-I228 PolarHBondContact O-N 3.46Å; S224-I228 VanDerWaalsContact O-N 3.08Å; H225-I228 PolarHBondContact O-N 2.88Å; I228-T230 VanDerWaalsContact C-N 3.33Å; I228-T230 PolarHBondContact O-N 2.64Å; I228-E231 PolarHBondContact O-N 3.11Å; I228-S232 PolarHBondContact O-N 3.33Å; I228-S232 PolarHBondContact O-OG 3.24Å |
| 229 | V | 78.7 | Confident | 75.3 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 26% | 0.255 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 177.8 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | H225 R227 S232 L233 | H225-V229 WeakPolarHBondContact O-CG2 3.49Å; H225-V229 PolarHBondContact O-N 3.35Å; H225-V229 VanDerWaalsContact O-N 3.12Å; R227-V229 PolarHBondContact O-N 3.44Å; V229-S232 PolarHBondContact O-OG 3.32Å; V229-S232 VanDerWaalsContact O-OG 3.08Å; V229-L233 PolarHBondContact O-N 3.46Å |
| 230 | T | 79.9 | Confident | 73.9 | Confident | 11 Ų | 11 | 73.8 Ų | 73.8 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -73.5 | -34.4 | 178 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | V226 R227 I228 L234 A247 L251 | V226-T230 VanDerWaalsContact O-CB 3.3Å; V226-T230 WeakPolarHBondContact O-CB 3.42Å; V226-T230 PolarHBondContact O-N 3.29Å; V226-T230 PolarHBondContact O-OG1 2.72Å; R227-T230 PolarHBondContact O-N 3.38Å; I228-T230 VanDerWaalsContact C-N 3.33Å; I228-T230 PolarHBondContact O-N 2.64Å; T230-L234 HydrophobicContact CG2-CD1 4.35Å; T230-L234 WeakPolarHBondContact O-CG 3.43Å; T230-L234 PolarHBondContact O-N 2.95Å; T230-A247 HydrophobicContact CG2-CB 3.99Å; T230-A247 WeakPolarHBondContact CG2-O 3.45Å; T230-L251 HydrophobicContact CG2-CB 3.98Å |
| 231 | E | 81.7 | Confident | 72.7 | Confident | 64 Ų | 64 | 78.8 Ų | 78.8 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.1 | -42.6 | 177.2 | -73.9 | -178.8 | 139 | 0 | 0 | 111.9 | R227 I228 L233 L234 T235 L251 K255 | R227-E231 HydrophobicContact CG-CG 4.35Å; R227-E231 WeakPolarHBondContact CG-OE2 3.38Å; R227-E231 IonicContact NE-OE2 3.68Å; R227-E231 WeakPolarHBondContact O-CB 2.96Å; R227-E231 WeakPolarHBondContact O-CG 3.26Å; R227-E231 PolarHBondContact O-N 3.12Å; I228-E231 PolarHBondContact O-N 3.11Å; E231-L233 PolarHBondContact O-N 3.39Å; E231-L234 PolarHBondContact O-N 2.67Å; E231-T235 PolarHBondContact O-N 2.66Å; E231-T235 PolarHBondContact O-OG1 3.14Å; E231-L251 HydrophobicContact CG-CD1 3.61Å; E231-L251 HydrophobicContact CG-CD2 3.73Å; E231-L251 HydrophobicContact CG-CG 4.35Å; E231-K255 WeakPolarHBondContact OE1-CE 3.47Å; E231-K255 IonicContact OE1-NZ 3.23Å; E231-K255 PolarHBondContact OE1-NZ 3.03Å |
| 232 | S | 76 | Confident | 71.6 | Confident | 54 Ų | 54 | 76.3 Ų | 76.3 | 38% | 0.378 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 177.4 | 59 | 0 | 0 | 0 | 0 | 112.5 | I228 V229 L234 T235 E236 | I228-S232 PolarHBondContact O-N 3.33Å; I228-S232 PolarHBondContact O-OG 3.24Å; V229-S232 PolarHBondContact O-OG 3.32Å; V229-S232 VanDerWaalsContact O-OG 3.08Å; S232-L234 VanDerWaalsContact C-N 3.34Å; S232-L234 PolarHBondContact O-N 3.32Å; S232-T235 WeakPolarHBondContact CA-OG1 3.39Å; S232-T235 PolarHBondContact O-N 2.85Å; S232-T235 PolarHBondContact O-OG1 2.97Å; S232-E236 PolarHBondContact O-N 3.15Å |
| 233 | L | 68.2 | Low | 70.6 | Confident | 23 Ų | 23 | 75.4 Ų | 75.4 | 12% | 0.12 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 175.8 | -173.9 | 81.3 | 0 | 0 | 0 | 112.1 | V229 E231 T235 E236 Y237 I243 A247 L567 | V229-L233 PolarHBondContact O-N 3.46Å; E231-L233 PolarHBondContact O-N 3.39Å; L233-T235 PolarHBondContact O-N 3.49Å; L233-E236 PolarHBondContact O-N 3.38Å; L233-E236 VanDerWaalsContact O-N 3.14Å; L233-Y237 PolarHBondContact O-N 3.09Å; L233-I243 HydrophobicContact CD2-CG2 4.36Å; L233-A247 HydrophobicContact CD2-CB 4.47Å; L233-L567 HydrophobicContact CD1-CD1 4.16Å; L233-L567 HydrophobicContact CD2-CD1 3.88Å; L233-L567 HydrophobicContact CD2-CD2 3.39Å; L233-L567 HydrophobicContact CD2-CG 4.26Å |
| 234 | L | 73.8 | Confident | 69.7 | Low | 36 Ų | 36 | 75.8 Ų | 75.8 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.5 | -14.1 | -179.4 | -74 | 170.5 | 0 | 0 | 0 | 113.4 | T230 E231 S232 N244 A247 R248 L251 | T230-L234 HydrophobicContact CG2-CD1 4.35Å; T230-L234 WeakPolarHBondContact O-CG 3.43Å; T230-L234 PolarHBondContact O-N 2.95Å; E231-L234 PolarHBondContact O-N 2.67Å; S232-L234 VanDerWaalsContact C-N 3.34Å; S232-L234 PolarHBondContact O-N 3.32Å; L234-N244 HydrophobicContact CD2-CB 4.32Å; L234-A247 HydrophobicContact CD1-CB 4.37Å; L234-A247 HydrophobicContact CD2-CB 4.1Å; L234-A247 HydrophobicContact CG-CB 4.25Å; L234-R248 HydrophobicContact CD1-CG 4Å; L234-R248 HydrophobicContact CD2-CG 3.92Å; L234-L251 HydrophobicContact CD1-CD2 3.75Å |
| 235 | T | 68.2 | Low | 69.1 | Low | 119 Ų | 119 | 77.9 Ų | 77.9 | 73% | 0.73 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -92.1 | -16.3 | 170.7 | 48.6 | 0 | 0 | 0 | 0 | 114.5 | E231 S232 L233 | E231-T235 PolarHBondContact O-N 2.66Å; E231-T235 PolarHBondContact O-OG1 3.14Å; S232-T235 WeakPolarHBondContact CA-OG1 3.39Å; S232-T235 PolarHBondContact O-N 2.85Å; S232-T235 PolarHBondContact O-OG1 2.97Å; L233-T235 PolarHBondContact O-N 3.49Å |
| 236 | E | 59 | Low | 68.7 | Low | 105 Ų | 105 | 73.8 Ų | 73.8 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -95.2 | -27.6 | -178.1 | -71.2 | -174.6 | 157 | 0 | 0 | 114.2 | S232 L233 | S232-E236 PolarHBondContact O-N 3.15Å; L233-E236 PolarHBondContact O-N 3.38Å; L233-E236 VanDerWaalsContact O-N 3.14Å |
| 237 | Y | 53.2 | Low | 68.4 | Low | 93 Ų | 93 | 73.5 Ų | 73.5 | 37% | 0.365 | 38% | 0.375 | S | S | . | . | trans | -142.1 | 111.2 | -170.8 | -65.1 | -78.9 | 0 | 0 | 0 | 114.4 | L233 N244 F560 | L233-Y237 PolarHBondContact O-N 3.09Å; Y237-N244 PolarHBondContact O-ND2 2.88Å; Y237-F560 HydrophobicContact CE1-CD2 4.19Å; Y237-F560 HydrophobicContact CE1-CE2 4.05Å; Y237-F560 HydrophobicContact CE2-CD2 4.18Å; Y237-F560 HydrophobicContact CE2-CE2 4.41Å; Y237-F560 AromaticContact CZ-CD2 3.68Å; Y237-F560 AromaticContact CZ-CE2 3.94Å; Y237-F560 WeakPolarHBondContact OH-CD2 3.4Å | ||
| 238 | E | 52.8 | Low | 68.3 | Low | 167 Ų | 167 | 77.4 Ų | 77.4 | 78% | 0.78 | 39% | 0.389 | S | S | * | . | trans | -82.5 | -31.7 | 174.1 | -64.9 | -154.1 | 107.2 | 0 | 0 | 114.1 | I240 N244 | E238-I240 PolarHBondContact O-N 2.92Å; E238-N244 VanDerWaalsContact C-ND2 3.32Å; E238-N244 PolarHBondContact O-ND2 2.9Å | ||
| 239 | D | 49.2 | Very low | 68.4 | Low | 165 Ų | 165 | 79 Ų | 79 | 88% | 0.882 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -80.4 | -0.4 | -158.9 | -84.6 | -36.4 | 0 | 0 | 0 | 117.8 | ||
| 240 | I | 56.8 | Low | 68.7 | Low | 73 Ų | 73 | 77.2 Ų | 77.2 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | trans | -108.2 | 79.6 | -180 | -46.2 | -178.5 | 0 | 0 | 0 | 111.5 | E238 N242 I243 N244 | E238-I240 PolarHBondContact O-N 2.92Å; I240-N242 PolarHBondContact O-N 3.33Å; I240-N242 VanDerWaalsContact O-N 3.15Å; I240-I243 HydrophobicContact CB-CB 4.35Å; I240-I243 HydrophobicContact CG2-CB 3.95Å; I240-I243 HydrophobicContact CG2-CD1 3.83Å; I240-I243 HydrophobicContact CG2-CG1 3.73Å; I240-I243 PolarHBondContact O-N 3.42Å; I240-I243 VanDerWaalsContact O-N 3.1Å; I240-N244 WeakPolarHBondContact O-CB 3.36Å; I240-N244 PolarHBondContact O-N 2.94Å | ||
| 241 | H | 59.1 | Low | 69 | Low | 153 Ų | 153 | 77.7 Ų | 77.7 | 71% | 0.708 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -48.9 | -45 | -170.2 | -158.8 | 78.8 | 0 | 0 | 0 | 115.1 | L245 | H241-L245 WeakPolarHBondContact O-CB 3.2Å; H241-L245 PolarHBondContact O-N 3.35Å |
| 242 | N | 59.4 | Low | 69.3 | Low | 113 Ų | 113 | 76.2 Ų | 76.2 | 60% | 0.604 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -73.9 | -34.5 | -178.1 | -74.4 | -14 | 0 | 0 | 0 | 113.8 | I240 T246 | I240-N242 PolarHBondContact O-N 3.33Å; I240-N242 VanDerWaalsContact O-N 3.15Å; N242-T246 PolarHBondContact O-N 3.33Å; N242-T246 PolarHBondContact O-OG1 3.16Å |
| 243 | I | 63 | Low | 70 | Confident | 43 Ų | 43 | 73.9 Ų | 73.9 | 22% | 0.221 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.9 | -45.7 | 173.2 | -62.3 | -174.7 | 0 | 0 | 0 | 108.8 | L233 I240 L245 T246 A247 L567 F573 | L233-I243 HydrophobicContact CD2-CG2 4.36Å; I240-I243 HydrophobicContact CB-CB 4.35Å; I240-I243 HydrophobicContact CG2-CB 3.95Å; I240-I243 HydrophobicContact CG2-CD1 3.83Å; I240-I243 HydrophobicContact CG2-CG1 3.73Å; I240-I243 PolarHBondContact O-N 3.42Å; I240-I243 VanDerWaalsContact O-N 3.1Å; I243-L245 VanDerWaalsContact C-N 3.35Å; I243-L245 PolarHBondContact O-N 2.92Å; I243-T246 PolarHBondContact O-N 2.93Å; I243-A247 WeakPolarHBondContact O-CB 3.34Å; I243-A247 PolarHBondContact O-N 2.91Å; I243-L567 HydrophobicContact CG2-CD2 3.91Å; I243-F573 HydrophobicContact CG1-CZ 4.19Å |
| 244 | N | 68.6 | Low | 71 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 178.7 | -76.7 | -13.7 | 0 | 0 | 0 | 113.1 | L234 Y237 E238 I240 R248 | L234-N244 HydrophobicContact CD2-CB 4.32Å; Y237-N244 PolarHBondContact O-ND2 2.88Å; E238-N244 VanDerWaalsContact C-ND2 3.32Å; E238-N244 PolarHBondContact O-ND2 2.9Å; I240-N244 WeakPolarHBondContact O-CB 3.36Å; I240-N244 PolarHBondContact O-N 2.94Å; N244-R248 VanDerWaalsContact O-CB 3.23Å; N244-R248 WeakPolarHBondContact O-CB 3.26Å; N244-R248 WeakPolarHBondContact O-CD 3.42Å; N244-R248 WeakPolarHBondContact O-CG 3.37Å; N244-R248 PolarHBondContact O-N 3.42Å |
| 245 | L | 72.2 | Confident | 71.8 | Confident | 77 Ų | 77 | 75.6 Ų | 75.6 | 40% | 0.403 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 172.1 | -178.5 | 60.7 | 0 | 0 | 0 | 112.1 | H241 I243 R249 | H241-L245 WeakPolarHBondContact O-CB 3.2Å; H241-L245 PolarHBondContact O-N 3.35Å; I243-L245 VanDerWaalsContact C-N 3.35Å; I243-L245 PolarHBondContact O-N 2.92Å; L245-R249 WeakPolarHBondContact O-CG 3.22Å; L245-R249 PolarHBondContact O-N 3.4Å |
| 246 | T | 73.1 | Confident | 73 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.9 | -43.8 | -178.8 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | N242 I243 R249 L250 F571 | N242-T246 PolarHBondContact O-N 3.33Å; N242-T246 PolarHBondContact O-OG1 3.16Å; I243-T246 PolarHBondContact O-N 2.93Å; T246-R249 PolarHBondContact O-N 3.26Å; T246-L250 PolarHBondContact O-N 3.24Å; T246-F571 HydrophobicContact CG2-CD1 3.84Å; T246-F571 HydrophobicContact CG2-CE1 3.62Å; T246-F571 HydrophobicContact CG2-CZ 4.3Å |
| 247 | A | 77.8 | Confident | 74.6 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | T230 L233 L234 I243 R249 L250 L251 | T230-A247 HydrophobicContact CG2-CB 3.99Å; T230-A247 WeakPolarHBondContact CG2-O 3.45Å; L233-A247 HydrophobicContact CD2-CB 4.47Å; L234-A247 HydrophobicContact CD1-CB 4.37Å; L234-A247 HydrophobicContact CD2-CB 4.1Å; L234-A247 HydrophobicContact CG-CB 4.25Å; I243-A247 WeakPolarHBondContact O-CB 3.34Å; I243-A247 PolarHBondContact O-N 2.91Å; A247-R249 PolarHBondContact O-N 2.86Å; A247-L250 PolarHBondContact O-N 3.03Å; A247-L251 WeakPolarHBondContact O-CB 3.45Å; A247-L251 PolarHBondContact O-N 2.96Å |
| 248 | R | 81.9 | Confident | 76.4 | Confident | 149 Ų | 149 | 61.7 Ų | 61.7 | 56% | 0.562 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.8 | -38.3 | 175.1 | -73.9 | 169.2 | -174.3 | -175 | 1.8 | 112.4 | L234 N244 G252 | L234-R248 HydrophobicContact CD1-CG 4Å; L234-R248 HydrophobicContact CD2-CG 3.92Å; N244-R248 VanDerWaalsContact O-CB 3.23Å; N244-R248 WeakPolarHBondContact O-CB 3.26Å; N244-R248 WeakPolarHBondContact O-CD 3.42Å; N244-R248 WeakPolarHBondContact O-CG 3.37Å; N244-R248 PolarHBondContact O-N 3.42Å; R248-G252 PolarHBondContact O-N 3.42Å |
| 249 | R | 83.9 | Confident | 78.2 | Confident | 134 Ų | 134 | 57.7 Ų | 57.7 | 51% | 0.506 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 173.5 | -79.9 | 177.9 | 170 | 175.4 | -2.6 | 112.4 | L245 T246 A247 G252 A253 I323 | L245-R249 WeakPolarHBondContact O-CG 3.22Å; L245-R249 PolarHBondContact O-N 3.4Å; T246-R249 PolarHBondContact O-N 3.26Å; A247-R249 PolarHBondContact O-N 2.86Å; R249-G252 PolarHBondContact O-N 3.35Å; R249-A253 WeakPolarHBondContact O-CB 3.25Å; R249-A253 PolarHBondContact O-N 2.87Å; R249-I323 HydrophobicContact CB-CD1 4.49Å |
| 250 | L | 85.8 | Confident | 80.3 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 175.1 | -179.9 | 60 | 0 | 0 | 0 | 111.2 | V226 T246 A247 G252 A253 I254 I323 L324 F571 | V226-L250 HydrophobicContact CG1-CD2 4.08Å; T246-L250 PolarHBondContact O-N 3.24Å; A247-L250 PolarHBondContact O-N 3.03Å; L250-G252 PolarHBondContact O-N 2.89Å; L250-A253 WeakPolarHBondContact O-CB 3.43Å; L250-A253 PolarHBondContact O-N 3.33Å; L250-I254 HydrophobicContact CD1-CD1 4Å; L250-I254 HydrophobicContact CD1-CG1 4.19Å; L250-I254 HydrophobicContact CG-CD1 3.82Å; L250-I254 HydrophobicContact CG-CG1 4.44Å; L250-I254 VanDerWaalsContact O-CG1 3.28Å; L250-I254 WeakPolarHBondContact O-CG1 3.26Å; L250-I254 PolarHBondContact O-N 3.09Å; L250-I323 HydrophobicContact CD1-CG2 3.97Å; L250-L324 HydrophobicContact CD1-CD2 3.93Å; L250-F571 HydrophobicContact CD2-CE1 4.08Å; L250-F571 HydrophobicContact CD2-CZ 3.65Å |
| 251 | L | 86.6 | Confident | 82 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 178 | -176.4 | 57.8 | 0 | 0 | 0 | 112.5 | R227 T230 E231 L234 A247 K255 | R227-L251 HydrophobicContact CG-CD1 3.63Å; T230-L251 HydrophobicContact CG2-CB 3.98Å; E231-L251 HydrophobicContact CG-CD1 3.61Å; E231-L251 HydrophobicContact CG-CD2 3.73Å; E231-L251 HydrophobicContact CG-CG 4.35Å; L234-L251 HydrophobicContact CD1-CD2 3.75Å; A247-L251 WeakPolarHBondContact O-CB 3.45Å; A247-L251 PolarHBondContact O-N 2.96Å; L251-K255 HydrophobicContact CD1-CD 4.22Å; L251-K255 HydrophobicContact CD1-CG 4.43Å; L251-K255 HydrophobicContact CG-CD 4.26Å; L251-K255 WeakPolarHBondContact O-CB 3.47Å; L251-K255 WeakPolarHBondContact O-CG 3.25Å; L251-K255 PolarHBondContact O-N 3.14Å |
| 252 | G | 87.5 | Confident | 83.3 | Confident | 34 Ų | 34 | 43 Ų | 43 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R248 R249 L250 K255 S256 | R248-G252 PolarHBondContact O-N 3.42Å; R249-G252 PolarHBondContact O-N 3.35Å; L250-G252 PolarHBondContact O-N 2.89Å; G252-K255 PolarHBondContact O-N 2.74Å; G252-S256 WeakPolarHBondContact O-CB 3.32Å; G252-S256 PolarHBondContact O-N 2.94Å; G252-S256 PolarHBondContact O-OG 3.39Å |
| 253 | A | 90.2 | Very high | 84.7 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | R249 L250 S256 A257 W320 I323 L324 | R249-A253 WeakPolarHBondContact O-CB 3.25Å; R249-A253 PolarHBondContact O-N 2.87Å; L250-A253 WeakPolarHBondContact O-CB 3.43Å; L250-A253 PolarHBondContact O-N 3.33Å; A253-S256 PolarHBondContact O-N 3.45Å; A253-A257 WeakPolarHBondContact O-CB 3.19Å; A253-A257 PolarHBondContact O-N 3.3Å; A253-W320 HydrophobicContact CB-CB 3.67Å; A253-I323 HydrophobicContact CB-CB 3.99Å; A253-I323 HydrophobicContact CB-CD1 4.07Å; A253-I323 HydrophobicContact CB-CG2 3.82Å; A253-L324 HydrophobicContact CB-CD2 4.22Å; A253-L324 HydrophobicContact CB-CG 4.4Å |
| 254 | I | 90 | Very high | 86 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -50.7 | 176.2 | -69 | 167.7 | 0 | 0 | 0 | 110.7 | L223 V226 R227 L250 S256 A257 Q258 L324 | L223-I254 HydrophobicContact CB-CG2 4.15Å; L223-I254 HydrophobicContact CD2-CB 4.41Å; L223-I254 HydrophobicContact CD2-CG1 3.95Å; L223-I254 HydrophobicContact CD2-CG2 4.17Å; L223-I254 WeakPolarHBondContact O-CG2 3.47Å; V226-I254 HydrophobicContact CB-CD1 4.08Å; V226-I254 HydrophobicContact CG1-CD1 3.62Å; R227-I254 HydrophobicContact CB-CG2 3.95Å; R227-I254 HydrophobicContact CG-CG2 4.26Å; L250-I254 HydrophobicContact CD1-CD1 4Å; L250-I254 HydrophobicContact CD1-CG1 4.19Å; L250-I254 HydrophobicContact CG-CD1 3.82Å; L250-I254 HydrophobicContact CG-CG1 4.44Å; L250-I254 VanDerWaalsContact O-CG1 3.28Å; L250-I254 WeakPolarHBondContact O-CG1 3.26Å; L250-I254 PolarHBondContact O-N 3.09Å; I254-S256 VanDerWaalsContact C-N 3.3Å; I254-S256 PolarHBondContact O-N 2.8Å; I254-A257 PolarHBondContact O-N 3.26Å; I254-Q258 HydrophobicContact CG2-CG 4.35Å; I254-Q258 WeakPolarHBondContact O-CG 3.37Å; I254-Q258 PolarHBondContact O-N 3.41Å; I254-L324 HydrophobicContact CG1-CD2 3.72Å |
| 255 | K | 90.6 | Very high | 86.7 | Confident | 96 Ų | 96 | 40.3 Ų | 40.3 | 42% | 0.417 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.6 | -37.8 | 179.7 | -74.9 | 176.5 | 175.3 | 175.1 | 0 | 112.3 | E231 L251 G252 L259 | E231-K255 WeakPolarHBondContact OE1-CE 3.47Å; E231-K255 IonicContact OE1-NZ 3.23Å; E231-K255 PolarHBondContact OE1-NZ 3.03Å; L251-K255 HydrophobicContact CD1-CD 4.22Å; L251-K255 HydrophobicContact CD1-CG 4.43Å; L251-K255 HydrophobicContact CG-CD 4.26Å; L251-K255 WeakPolarHBondContact O-CB 3.47Å; L251-K255 WeakPolarHBondContact O-CG 3.25Å; L251-K255 PolarHBondContact O-N 3.14Å; G252-K255 PolarHBondContact O-N 2.74Å; K255-L259 WeakPolarHBondContact O-CB 3.38Å; K255-L259 PolarHBondContact O-N 3.36Å; K255-L259 VanDerWaalsContact O-N 3.12Å |
| 256 | S | 92.8 | Very high | 87.2 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | G252 A253 I254 V260 W320 | G252-S256 WeakPolarHBondContact O-CB 3.32Å; G252-S256 PolarHBondContact O-N 2.94Å; G252-S256 PolarHBondContact O-OG 3.39Å; A253-S256 PolarHBondContact O-N 3.45Å; I254-S256 VanDerWaalsContact C-N 3.3Å; I254-S256 PolarHBondContact O-N 2.8Å; S256-V260 VanDerWaalsContact O-CG2 3.29Å; S256-V260 WeakPolarHBondContact O-CG2 3.42Å; S256-V260 PolarHBondContact O-N 3.3Å; S256-V260 VanDerWaalsContact O-N 3.08Å; S256-W320 VanDerWaalsContact CB-CD1 3.44Å |
| 257 | A | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L223 A253 I254 V260 F261 W320 L324 | L223-A257 HydrophobicContact CD1-CB 4.23Å; A253-A257 WeakPolarHBondContact O-CB 3.19Å; A253-A257 PolarHBondContact O-N 3.3Å; I254-A257 PolarHBondContact O-N 3.26Å; A257-V260 PolarHBondContact O-N 3.04Å; A257-F261 HydrophobicContact CB-CE2 4.37Å; A257-F261 WeakPolarHBondContact O-CD2 3.45Å; A257-F261 PolarHBondContact O-N 3.46Å; A257-W320 HydrophobicContact CB-CD2 4.13Å; A257-W320 HydrophobicContact CB-CE3 3.58Å; A257-W320 HydrophobicContact CB-CH2 4.01Å; A257-W320 HydrophobicContact CB-CZ2 4.47Å; A257-W320 HydrophobicContact CB-CZ3 3.52Å; A257-L324 HydrophobicContact CB-CD1 3.67Å |
| 258 | Q | 91 | Very high | 88.4 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -50.2 | 178.4 | -67.5 | -174.1 | -53.7 | 0 | 0 | 111 | M220 L223 S224 I254 V260 F261 D262 | M220-Q258 HydrophobicContact CE-CB 4.25Å; M220-Q258 HydrophobicContact CE-CG 4.31Å; M220-Q258 HydrophobicContact SD-CB 4.11Å; M220-Q258 HydrophobicContact SD-CG 3.83Å; L223-Q258 HydrophobicContact CB-CG 4.07Å; L223-Q258 HydrophobicContact CD1-CG 4.1Å; S224-Q258 PolarHBondContact OG-NE2 2.94Å; I254-Q258 HydrophobicContact CG2-CG 4.35Å; I254-Q258 WeakPolarHBondContact O-CG 3.37Å; I254-Q258 PolarHBondContact O-N 3.41Å; Q258-V260 VanDerWaalsContact C-N 3.28Å; Q258-V260 PolarHBondContact O-N 3.05Å; Q258-F261 PolarHBondContact O-N 3.43Å; Q258-F261 VanDerWaalsContact O-N 3.09Å; Q258-D262 VanDerWaalsContact O-CG 3.25Å; Q258-D262 PolarHBondContact O-N 3.34Å |
| 259 | L | 90.6 | Very high | 88.2 | Confident | 83 Ų | 83 | 33 Ų | 33 | 44% | 0.435 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.7 | -38.2 | 178.6 | -160.2 | 72.9 | 0 | 0 | 0 | 112.4 | K255 R263 T311 | K255-L259 WeakPolarHBondContact O-CB 3.38Å; K255-L259 PolarHBondContact O-N 3.36Å; K255-L259 VanDerWaalsContact O-N 3.12Å; L259-R263 WeakPolarHBondContact O-CG 3.41Å; L259-R263 PolarHBondContact O-N 3.2Å; L259-T311 HydrophobicContact CB-CG2 4.12Å; L259-T311 HydrophobicContact CD2-CG2 3.85Å; L259-T311 HydrophobicContact CG-CG2 3.71Å |
| 260 | V | 93.8 | Very high | 88 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.5 | -42 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | S256 A257 Q258 A264 Y308 T311 L312 W320 L599 | S256-V260 VanDerWaalsContact O-CG2 3.29Å; S256-V260 WeakPolarHBondContact O-CG2 3.42Å; S256-V260 PolarHBondContact O-N 3.3Å; S256-V260 VanDerWaalsContact O-N 3.08Å; A257-V260 PolarHBondContact O-N 3.04Å; Q258-V260 VanDerWaalsContact C-N 3.28Å; Q258-V260 PolarHBondContact O-N 3.05Å; V260-A264 WeakPolarHBondContact O-CB 3.34Å; V260-A264 PolarHBondContact O-N 3.32Å; V260-Y308 HydrophobicContact CG1-CE2 4.2Å; V260-T311 HydrophobicContact CG2-CG2 3.9Å; V260-L312 HydrophobicContact CG1-CD1 4.07Å; V260-L312 HydrophobicContact CG2-CD1 4.34Å; V260-W320 HydrophobicContact CB-CZ2 4.14Å; V260-W320 HydrophobicContact CG1-CZ2 4.14Å; V260-W320 HydrophobicContact CG2-CZ2 4.18Å; V260-L599 HydrophobicContact CG1-CD1 4.32Å; V260-L599 HydrophobicContact CG1-CD2 3.68Å |
| 261 | F | 92.1 | Very high | 87.9 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.6 | -38.6 | 177.9 | -73.2 | -54.9 | 0 | 0 | 0 | 112.6 | I211 F215 G216 L219 M220 L223 A257 Q258 A264 S265 L595 | I211-F261 HydrophobicContact CG2-CD1 4.2Å; I211-F261 HydrophobicContact CG2-CE1 4.22Å; F215-F261 HydrophobicContact CB-CE1 4Å; F215-F261 HydrophobicContact CB-CZ 4.08Å; G216-F261 VanDerWaalsContact CA-CD1 3.49Å; L219-F261 HydrophobicContact CD1-CE2 4.3Å; L219-F261 HydrophobicContact CD1-CZ 4.36Å; M220-F261 HydrophobicContact SD-CB 4.14Å; M220-F261 HydrophobicContact SD-CD2 4.49Å; L223-F261 HydrophobicContact CD1-CD2 4.48Å; L223-F261 HydrophobicContact CD1-CE2 4.45Å; A257-F261 HydrophobicContact CB-CE2 4.37Å; A257-F261 WeakPolarHBondContact O-CD2 3.45Å; A257-F261 PolarHBondContact O-N 3.46Å; Q258-F261 PolarHBondContact O-N 3.43Å; Q258-F261 VanDerWaalsContact O-N 3.09Å; F261-A264 WeakPolarHBondContact O-CB 3.44Å; F261-A264 PolarHBondContact O-N 2.8Å; F261-S265 PolarHBondContact O-N 3.08Å; F261-L595 HydrophobicContact CE1-CD1 4.5Å; F261-L595 HydrophobicContact CZ-CD2 4.09Å |
| 262 | D | 86.7 | Confident | 87.7 | Confident | 75 Ų | 75 | 29.2 Ų | 29.2 | 40% | 0.401 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.9 | -50 | 175 | -67.5 | -31.2 | 0 | 0 | 0 | 110.7 | M220 Q258 A264 S265 E266 | M220-D262 WeakPolarHBondContact CE-OD1 3.34Å; Q258-D262 VanDerWaalsContact O-CG 3.25Å; Q258-D262 PolarHBondContact O-N 3.34Å; D262-A264 VanDerWaalsContact C-N 3.33Å; D262-A264 PolarHBondContact O-N 3.23Å; D262-S265 WeakPolarHBondContact O-CB 3.24Å; D262-S265 PolarHBondContact O-N 3.02Å; D262-S265 VanDerWaalsContact O-N 3.1Å; D262-E266 PolarHBondContact O-N 3.32Å |
| 263 | R | 88.9 | Confident | 87 | Confident | 74 Ų | 74 | 27.9 Ų | 27.9 | 28% | 0.279 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -65 | -33.2 | 175.3 | -65.8 | -55.3 | -172.1 | -169.8 | -6.4 | 113.1 | L259 S265 E266 V267 Y308 T311 | L259-R263 WeakPolarHBondContact O-CG 3.41Å; L259-R263 PolarHBondContact O-N 3.2Å; R263-S265 VanDerWaalsContact C-N 3.31Å; R263-E266 WeakPolarHBondContact CD-OE2 3.42Å; R263-E266 IonicContact CZ-OE1 2.64Å; R263-E266 IonicContact CZ-OE2 2.73Å; R263-E266 IonicContact NE-OE2 3.46Å; R263-E266 IonicContact NH1-OE1 3.64Å; R263-E266 PolarHBondContact NH1-OE1 2.98Å; R263-E266 IonicContact NH1-OE2 2.69Å; R263-E266 PolarHBondContact NH1-OE2 3.1Å; R263-V267 WeakPolarHBondContact O-CG2 3.37Å; R263-V267 PolarHBondContact O-N 2.74Å; R263-V267 VanDerWaalsContact O-N 3.07Å; R263-Y308 HydrophobicContact CB-CD2 3.84Å; R263-T311 HydrophobicContact CG-CG2 4.02Å |
| 264 | A | 90 | Very high | 86.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.7 | -35.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I211 V212 V260 F261 D262 V267 H268 Y308 | I211-A264 HydrophobicContact CG2-CB 3.79Å; V212-A264 HydrophobicContact CG2-CB 3.92Å; V260-A264 WeakPolarHBondContact O-CB 3.34Å; V260-A264 PolarHBondContact O-N 3.32Å; F261-A264 WeakPolarHBondContact O-CB 3.44Å; F261-A264 PolarHBondContact O-N 2.8Å; D262-A264 VanDerWaalsContact C-N 3.33Å; D262-A264 PolarHBondContact O-N 3.23Å; A264-V267 PolarHBondContact O-N 3.08Å; A264-H268 VanDerWaalsContact O-CB 3.24Å; A264-H268 WeakPolarHBondContact O-CB 3.3Å; A264-H268 PolarHBondContact O-N 3.43Å; A264-Y308 HydrophobicContact CB-CD2 4.42Å; A264-Y308 HydrophobicContact CB-CE2 3.88Å |
| 265 | S | 84.1 | Confident | 86.2 | Confident | 35 Ų | 35 | 28.5 Ų | 28.5 | 25% | 0.245 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 176.1 | -164 | 0 | 0 | 0 | 0 | 112.2 | F261 D262 R263 H268 S269 | F261-S265 PolarHBondContact O-N 3.08Å; D262-S265 WeakPolarHBondContact O-CB 3.24Å; D262-S265 PolarHBondContact O-N 3.02Å; D262-S265 VanDerWaalsContact O-N 3.1Å; R263-S265 VanDerWaalsContact C-N 3.31Å; S265-H268 PolarHBondContact O-N 3.4Å; S265-S269 WeakPolarHBondContact O-CB 3.43Å; S265-S269 PolarHBondContact O-N 2.79Å |
| 266 | E | 82.3 | Confident | 85.4 | Confident | 68 Ų | 68 | 26.2 Ų | 26.2 | 32% | 0.318 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -55.9 | -52 | 170.4 | -69 | 175.9 | 168.2 | 0 | 0 | 111.4 | D262 R263 H268 S269 H270 | D262-E266 PolarHBondContact O-N 3.32Å; R263-E266 WeakPolarHBondContact CD-OE2 3.42Å; R263-E266 IonicContact CZ-OE1 2.64Å; R263-E266 IonicContact CZ-OE2 2.73Å; R263-E266 IonicContact NE-OE2 3.46Å; R263-E266 IonicContact NH1-OE1 3.64Å; R263-E266 PolarHBondContact NH1-OE1 2.98Å; R263-E266 IonicContact NH1-OE2 2.69Å; R263-E266 PolarHBondContact NH1-OE2 3.1Å; E266-H268 PolarHBondContact O-N 2.8Å; E266-S269 VanDerWaalsContact O-CB 3.31Å; E266-S269 WeakPolarHBondContact O-CB 3.39Å; E266-S269 PolarHBondContact O-N 3.47Å; E266-H270 PolarHBondContact O-CD2 2.85Å; E266-H270 PolarHBondContact O-N 3.12Å; E266-H270 VanDerWaalsContact O-N 3.08Å |
| 267 | V | 88.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.7 | -39 | 179.4 | 177 | 0 | 0 | 0 | 0 | 111.4 | L208 R263 A264 H270 V271 N304 F305 Y308 | L208-V267 HydrophobicContact CD1-CG1 3.89Å; L208-V267 HydrophobicContact CD2-CB 4.26Å; L208-V267 HydrophobicContact CD2-CG1 3.98Å; R263-V267 WeakPolarHBondContact O-CG2 3.37Å; R263-V267 PolarHBondContact O-N 2.74Å; R263-V267 VanDerWaalsContact O-N 3.07Å; A264-V267 PolarHBondContact O-N 3.08Å; V267-H270 PolarHBondContact O-N 2.77Å; V267-V271 HydrophobicContact CG1-CG2 3.9Å; V267-V271 VanDerWaalsContact O-CB 3.28Å; V267-V271 WeakPolarHBondContact O-CB 3.43Å; V267-V271 WeakPolarHBondContact O-CG2 3.28Å; V267-V271 PolarHBondContact O-N 2.75Å; V267-N304 HydrophobicContact CG2-CB 4.16Å; V267-F305 HydrophobicContact CG1-CD1 4.02Å; V267-F305 HydrophobicContact CG1-CD2 4.26Å; V267-F305 HydrophobicContact CG1-CE1 3.71Å; V267-F305 HydrophobicContact CG1-CE2 3.97Å; V267-F305 HydrophobicContact CG1-CG 4.31Å; V267-F305 HydrophobicContact CG1-CZ 3.71Å; V267-Y308 HydrophobicContact CG2-CG 4.41Å |
| 268 | H | 86.5 | Confident | 83.7 | Confident | 26 Ų | 26 | 26.4 Ų | 26.4 | 12% | 0.12 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 173.9 | -179.3 | -121.5 | 0 | 0 | 0 | 112.2 | L208 V212 A264 S265 E266 T272 | L208-H268 HydrophobicContact CB-CB 3.9Å; V212-H268 HydrophobicContact CG2-CB 4.03Å; A264-H268 VanDerWaalsContact O-CB 3.24Å; A264-H268 WeakPolarHBondContact O-CB 3.3Å; A264-H268 PolarHBondContact O-N 3.43Å; S265-H268 PolarHBondContact O-N 3.4Å; E266-H268 PolarHBondContact O-N 2.8Å; H268-T272 WeakPolarHBondContact O-CB 2.92Å; H268-T272 PolarHBondContact O-N 3.45Å; H268-T272 PolarHBondContact O-OG1 2.94Å |
| 269 | S | 77.6 | Confident | 82.8 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -53.6 | -56.2 | 176.2 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | S265 E266 T272 V273 T1057 R1061 | S265-S269 WeakPolarHBondContact O-CB 3.43Å; S265-S269 PolarHBondContact O-N 2.79Å; E266-S269 VanDerWaalsContact O-CB 3.31Å; E266-S269 WeakPolarHBondContact O-CB 3.39Å; E266-S269 PolarHBondContact O-N 3.47Å; S269-T272 PolarHBondContact O-N 3.26Å; S269-V273 PolarHBondContact O-N 2.73Å; S269-T1057 WeakPolarHBondContact OG-CG2 3.45Å; S269-R1061 VanDerWaalsContact CB-NH2 3.28Å; S269-R1061 PolarHBondContact OG-NE 2.67Å; S269-R1061 PolarHBondContact OG-NH2 3.3Å |
| 270 | H | 80.6 | Confident | 81.4 | Confident | 40 Ų | 40 | 25.9 Ų | 25.9 | 19% | 0.185 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.4 | -40.5 | -175.8 | -78.9 | -72.1 | 0 | 0 | 0 | 113.5 | E266 V267 T272 V273 L274 T301 N304 | E266-H270 PolarHBondContact O-CD2 2.85Å; E266-H270 PolarHBondContact O-N 3.12Å; E266-H270 VanDerWaalsContact O-N 3.08Å; V267-H270 PolarHBondContact O-N 2.77Å; H270-T272 VanDerWaalsContact C-N 3.31Å; H270-T272 PolarHBondContact O-N 3.4Å; H270-V273 PolarHBondContact O-N 3.19Å; H270-L274 PolarHBondContact O-N 3.03Å; H270-T301 HydrophobicContact CB-CG2 3.97Å; H270-T301 PolarHBondContact ND1-OG1 2.95Å; H270-N304 PolarHBondContact CD2-ND2 2.85Å; H270-N304 PolarHBondContact NE2-ND2 2.99Å |
| 271 | V | 84.6 | Confident | 80 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.3 | -29.7 | 178.9 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | L201 V205 L208 V267 S275 F305 | L201-V271 HydrophobicContact CD2-CG1 4.31Å; V205-V271 HydrophobicContact CG2-CG1 3.97Å; L208-V271 HydrophobicContact CD1-CB 4Å; L208-V271 HydrophobicContact CD1-CG1 4.14Å; L208-V271 HydrophobicContact CD1-CG2 4.05Å; V267-V271 HydrophobicContact CG1-CG2 3.9Å; V267-V271 VanDerWaalsContact O-CB 3.28Å; V267-V271 WeakPolarHBondContact O-CB 3.43Å; V267-V271 WeakPolarHBondContact O-CG2 3.28Å; V267-V271 PolarHBondContact O-N 2.75Å; V271-S275 WeakPolarHBondContact O-CB 3.33Å; V271-S275 PolarHBondContact O-N 3.05Å; V271-F305 HydrophobicContact CG2-CE2 3.7Å; V271-F305 HydrophobicContact CG2-CZ 3.41Å; V271-F305 VanDerWaalsContact CG2-CZ 3.41Å |
| 272 | T | 80.8 | Confident | 78.6 | Confident | 35 Ų | 35 | 29.2 Ų | 29.2 | 22% | 0.215 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -50.8 | 173.4 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | V205 H268 S269 H270 L274 S275 E276 | V205-T272 HydrophobicContact CG1-CG2 4.45Å; H268-T272 WeakPolarHBondContact O-CB 2.92Å; H268-T272 PolarHBondContact O-N 3.45Å; H268-T272 PolarHBondContact O-OG1 2.94Å; S269-T272 PolarHBondContact O-N 3.26Å; H270-T272 VanDerWaalsContact C-N 3.31Å; H270-T272 PolarHBondContact O-N 3.4Å; T272-L274 VanDerWaalsContact C-N 3.35Å; T272-L274 PolarHBondContact O-N 2.84Å; T272-S275 WeakPolarHBondContact O-CB 3.4Å; T272-S275 PolarHBondContact O-N 2.84Å; T272-S275 VanDerWaalsContact O-N 3.14Å; T272-E276 PolarHBondContact O-N 2.83Å |
| 273 | V | 73.9 | Confident | 77.1 | Confident | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.036 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 176.3 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | S269 H270 S275 E276 C277 R1061 Q1064 | S269-V273 PolarHBondContact O-N 2.73Å; H270-V273 PolarHBondContact O-N 3.19Å; V273-S275 VanDerWaalsContact C-N 3.32Å; V273-S275 PolarHBondContact O-N 2.78Å; V273-E276 PolarHBondContact O-N 3.15Å; V273-C277 WeakPolarHBondContact O-CB 3.48Å; V273-C277 PolarHBondContact O-N 3.48Å; V273-C277 PolarHBondContact O-SG 3.01Å; V273-R1061 HydrophobicContact CG2-CB 4.05Å; V273-R1061 HydrophobicContact CG2-CG 3.77Å; V273-Q1064 HydrophobicContact CG1-CB 3.73Å |
| 274 | L | 81.5 | Confident | 75.1 | Confident | 9 Ų | 9 | 31.7 Ų | 31.7 | 5% | 0.047 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 177 | -179 | 56.7 | 0 | 0 | 0 | 112.6 | L201 H270 T272 I278 A296 L302 | L201-L274 HydrophobicContact CD1-CD2 4.46Å; L201-L274 HydrophobicContact CD1-CG 4.06Å; L201-L274 HydrophobicContact CD2-CD2 3.94Å; L201-L274 HydrophobicContact CD2-CG 4.17Å; H270-L274 PolarHBondContact O-N 3.03Å; T272-L274 VanDerWaalsContact C-N 3.35Å; T272-L274 PolarHBondContact O-N 2.84Å; L274-I278 HydrophobicContact CD1-CD1 3.7Å; L274-I278 HydrophobicContact CD1-CG1 4.33Å; L274-I278 HydrophobicContact CG-CD1 4.2Å; L274-I278 WeakPolarHBondContact O-CB 3.46Å; L274-I278 PolarHBondContact O-N 3.06Å; L274-I278 VanDerWaalsContact O-N 3.13Å; L274-A296 HydrophobicContact CD1-CB 3.88Å; L274-A296 HydrophobicContact CD2-CB 4.13Å; L274-L302 HydrophobicContact CD2-CD2 4.13Å |
| 275 | S | 82 | Confident | 72.9 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.1 | -38.7 | 174.9 | -170 | 0 | 0 | 0 | 0 | 112.4 | R202 V271 T272 V273 D279 | R202-S275 WeakPolarHBondContact CA-OG 3.18Å; R202-S275 WeakPolarHBondContact CG-OG 2.93Å; R202-S275 PolarHBondContact N-OG 2.96Å; V271-S275 WeakPolarHBondContact O-CB 3.33Å; V271-S275 PolarHBondContact O-N 3.05Å; T272-S275 WeakPolarHBondContact O-CB 3.4Å; T272-S275 PolarHBondContact O-N 2.84Å; T272-S275 VanDerWaalsContact O-N 3.14Å; V273-S275 VanDerWaalsContact C-N 3.32Å; V273-S275 PolarHBondContact O-N 2.78Å; S275-D279 WeakPolarHBondContact O-CB 3.38Å; S275-D279 VanDerWaalsContact O-CG 3.28Å; S275-D279 PolarHBondContact O-N 3.3Å |
| 276 | E | 73.9 | Confident | 71 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 23% | 0.229 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.6 | -50.8 | 174.4 | -70.2 | -176 | 170 | 0 | 0 | 110.8 | T272 V273 I278 D279 D280 R1065 | T272-E276 PolarHBondContact O-N 2.83Å; V273-E276 PolarHBondContact O-N 3.15Å; E276-I278 PolarHBondContact O-N 3.41Å; E276-D279 WeakPolarHBondContact O-CB 3.35Å; E276-D279 PolarHBondContact O-N 2.98Å; E276-D279 VanDerWaalsContact O-N 3.1Å; E276-D280 WeakPolarHBondContact O-CB 3.4Å; E276-D280 PolarHBondContact O-N 3.45Å; E276-R1065 IonicContact OE1-NH1 3.64Å; E276-R1065 PolarHBondContact OE1-NH1 3.15Å; E276-R1065 IonicContact OE2-CZ 2.79Å; E276-R1065 IonicContact OE2-NH1 3.48Å; E276-R1065 PolarHBondContact OE2-NH1 3.48Å |
| 277 | C | 71.9 | Confident | 69.8 | Low | 15 Ų | 15 | 41.4 Ų | 41.4 | 10% | 0.101 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.3 | -35.9 | 178.5 | -69.9 | 0 | 0 | 0 | 0 | 113.5 | V273 A281 S1068 | V273-C277 WeakPolarHBondContact O-CB 3.48Å; V273-C277 PolarHBondContact O-N 3.48Å; V273-C277 PolarHBondContact O-SG 3.01Å; C277-A281 WeakPolarHBondContact O-CB 3.5Å; C277-A281 PolarHBondContact O-N 3.49Å; C277-A281 VanDerWaalsContact O-N 3.12Å; C277-S1068 VanDerWaalsContact SG-CB 3.5Å; C277-S1068 PolarHBondContact SG-OG 3.47Å |
| 278 | I | 77 | Confident | 68.5 | Low | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -83.2 | -32.6 | 178.5 | -76.1 | 170.4 | 0 | 0 | 0 | 112.1 | I197 Q198 L201 L274 E276 D280 A281 F282 I289 C292 L293 | I197-I278 HydrophobicContact CG2-CD1 4.18Å; Q198-I278 HydrophobicContact CB-CG2 4.15Å; Q198-I278 HydrophobicContact CG-CG2 4.38Å; L201-I278 HydrophobicContact CD1-CB 4.35Å; L201-I278 HydrophobicContact CD1-CD1 3.45Å; L201-I278 VanDerWaalsContact CD1-CD1 3.45Å; L201-I278 HydrophobicContact CD1-CG1 4.44Å; L201-I278 HydrophobicContact CD1-CG2 4.44Å; L274-I278 HydrophobicContact CD1-CD1 3.7Å; L274-I278 HydrophobicContact CD1-CG1 4.33Å; L274-I278 HydrophobicContact CG-CD1 4.2Å; L274-I278 WeakPolarHBondContact O-CB 3.46Å; L274-I278 PolarHBondContact O-N 3.06Å; L274-I278 VanDerWaalsContact O-N 3.13Å; E276-I278 PolarHBondContact O-N 3.41Å; I278-D280 VanDerWaalsContact C-N 3.31Å; I278-A281 PolarHBondContact O-N 2.92Å; I278-F282 HydrophobicContact CG2-CD2 4.26Å; I278-F282 HydrophobicContact CG2-CE2 4.49Å; I278-F282 WeakPolarHBondContact O-CD2 3.3Å; I278-F282 PolarHBondContact O-N 2.89Å; I278-I289 HydrophobicContact CD1-CG2 4.07Å; I278-I289 HydrophobicContact CG1-CG2 4.2Å; I278-I289 HydrophobicContact CG2-CD1 4.42Å; I278-C292 HydrophobicContact CG1-CB 3.99Å; I278-L293 HydrophobicContact CD1-CD2 3.89Å; I278-L293 HydrophobicContact CD1-CG 4.4Å |
| 279 | D | 71.5 | Confident | 68.1 | Low | 35 Ų | 35 | 42.6 Ų | 42.6 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 168.3 | -82.5 | -10.5 | 0 | 0 | 0 | 111.6 | Q198 R202 S275 E276 F282 | Q198-D279 WeakPolarHBondContact CG-OD1 3.2Å; Q198-D279 PolarHBondContact NE2-OD1 2.71Å; R202-D279 IonicContact CZ-OD1 3.34Å; R202-D279 IonicContact CZ-OD2 2.98Å; R202-D279 VanDerWaalsContact NE-CG 3.27Å; R202-D279 IonicContact NE-OD1 3.65Å; R202-D279 PolarHBondContact NE-OD1 3.25Å; R202-D279 IonicContact NE-OD2 2.77Å; R202-D279 PolarHBondContact NE-OD2 3.37Å; R202-D279 IonicContact NH1-OD1 2.72Å; R202-D279 IonicContact NH2-OD1 3.92Å; R202-D279 PolarHBondContact NH2-OD1 3.26Å; R202-D279 IonicContact NH2-OD2 3.69Å; R202-D279 PolarHBondContact NH2-OD2 2.97Å; S275-D279 WeakPolarHBondContact O-CB 3.38Å; S275-D279 VanDerWaalsContact O-CG 3.28Å; S275-D279 PolarHBondContact O-N 3.3Å; E276-D279 WeakPolarHBondContact O-CB 3.35Å; E276-D279 PolarHBondContact O-N 2.98Å; E276-D279 VanDerWaalsContact O-N 3.1Å; D279-F282 WeakPolarHBondContact O-CB 3.22Å; D279-F282 PolarHBondContact O-N 2.87Å |
| 280 | D | 62 | Low | 68.1 | Low | 48 Ų | 48 | 42.3 Ų | 42.3 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 177.5 | -98 | 40.8 | 0 | 0 | 0 | 113.5 | E276 I278 F282 V1069 R1073 | E276-D280 WeakPolarHBondContact O-CB 3.4Å; E276-D280 PolarHBondContact O-N 3.45Å; I278-D280 VanDerWaalsContact C-N 3.31Å; D280-F282 PolarHBondContact O-N 3.47Å; D280-V1069 VanDerWaalsContact OD2-CG1 3.27Å; D280-V1069 WeakPolarHBondContact OD2-CG1 3.1Å; D280-V1069 WeakPolarHBondContact OD2-CG2 3.37Å; D280-R1073 PolarHBondContact O-NH2 3.32Å; D280-R1073 IonicContact OD1-NH2 3.6Å; D280-R1073 IonicContact OD2-CZ 2.78Å; D280-R1073 IonicContact OD2-NH2 2.76Å; D280-R1073 PolarHBondContact OD2-NH2 3.23Å |
| 281 | A | 64 | Low | 67.7 | Low | 23 Ų | 23 | 42.1 Ų | 42.1 | 19% | 0.19 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -20.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C277 I278 | C277-A281 WeakPolarHBondContact O-CB 3.5Å; C277-A281 PolarHBondContact O-N 3.49Å; C277-A281 VanDerWaalsContact O-N 3.12Å; I278-A281 PolarHBondContact O-N 2.92Å |
| 282 | F | 63 | Low | 67.3 | Low | 56 Ų | 56 | 42.7 Ų | 42.7 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -10 | -172 | -112.9 | -63.5 | 0 | 0 | 0 | 115.7 | A194 K195 Q198 I278 D279 D280 I289 | A194-F282 VanDerWaalsContact C-CZ 3.42Å; A194-F282 HydrophobicContact CB-CE1 4.49Å; A194-F282 HydrophobicContact CB-CE2 4.19Å; A194-F282 HydrophobicContact CB-CZ 3.56Å; A194-F282 VanDerWaalsContact O-CE2 3.31Å; A194-F282 WeakPolarHBondContact O-CE2 3.48Å; K195-F282 HydrophobicContact CB-CZ 4.37Å; K195-F282 HydrophobicContact CG-CE1 3.93Å; K195-F282 HydrophobicContact CG-CZ 3.8Å; Q198-F282 HydrophobicContact CB-CD2 3.98Å; Q198-F282 HydrophobicContact CB-CE2 3.78Å; Q198-F282 HydrophobicContact CG-CD2 4.03Å; Q198-F282 HydrophobicContact CG-CE2 4.35Å; I278-F282 HydrophobicContact CG2-CD2 4.26Å; I278-F282 HydrophobicContact CG2-CE2 4.49Å; I278-F282 WeakPolarHBondContact O-CD2 3.3Å; I278-F282 PolarHBondContact O-N 2.89Å; D279-F282 WeakPolarHBondContact O-CB 3.22Å; D279-F282 PolarHBondContact O-N 2.87Å; D280-F282 PolarHBondContact O-N 3.47Å; F282-I289 HydrophobicContact CD2-CD1 4.12Å; F282-I289 HydrophobicContact CE2-CD1 3.47Å; F282-I289 VanDerWaalsContact CE2-CD1 3.47Å; F282-I289 HydrophobicContact CZ-CD1 3.97Å |
| 283 | E | 55.4 | Low | 67.5 | Low | 153 Ų | 153 | 41 Ų | 41 | 72% | 0.715 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -76.8 | -30.9 | -178.4 | -59.8 | -155 | 122.8 | 0 | 0 | 113.1 | ||
| 284 | D | 47.2 | Very low | 68 | Low | 48 Ų | 48 | 41.6 Ų | 41.6 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -84.2 | 111.6 | 170.1 | -85.5 | -11.8 | 0 | 0 | 0 | 109.8 | T286 R287 R1077 | D284-T286 PolarHBondContact O-N 2.89Å; D284-R287 HydrophobicContact CB-CG 4.01Å; D284-R287 IonicContact OD2-CZ 3.4Å; D284-R287 IonicContact OD2-NE 2.65Å; D284-R287 PolarHBondContact OD2-NE 3.24Å; D284-R287 IonicContact OD2-NH2 3.22Å; D284-R287 PolarHBondContact OD2-NH2 3.02Å; D284-R1077 IonicContact OD1-NH2 2.98Å; D284-R1077 IonicContact OD2-CZ 3.9Å; D284-R1077 IonicContact OD2-NH2 3.88Å; D284-R1077 PolarHBondContact OD2-NH2 2.88Å |
| 285 | Q | 42.3 | Very low | 67.7 | Low | 108 Ų | 108 | 42.3 Ų | 42.3 | 51% | 0.505 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 0.5 | -163.1 | -61.3 | -157.9 | -52 | 0 | 0 | 118.9 | S147 | S147-Q285 PolarHBondContact O-NE2 3.04Š|
| 286 | T | 45.3 | Very low | 67.6 | Low | 127 Ų | 127 | 42.3 Ų | 42.3 | 78% | 0.779 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -143 | 27.4 | -168.2 | 65.4 | 0 | 0 | 0 | 0 | 114.5 | D284 | D284-T286 PolarHBondContact O-N 2.89Š|
| 287 | R | 56 | Low | 68.1 | Low | 71 Ų | 71 | 40.6 Ų | 40.6 | 27% | 0.268 | 22% | 0.215 | S | C | . | . | trans | -101.8 | 155.3 | -173.4 | -67.4 | -164.3 | -173.6 | -133.6 | 7.5 | 115.3 | D284 Y1076 | D284-R287 HydrophobicContact CB-CG 4.01Å; D284-R287 IonicContact OD2-CZ 3.4Å; D284-R287 IonicContact OD2-NE 2.65Å; D284-R287 PolarHBondContact OD2-NE 3.24Å; D284-R287 IonicContact OD2-NH2 3.22Å; D284-R287 PolarHBondContact OD2-NH2 3.02Å; R287-Y1076 VanDerWaalsContact NH1-CE1 3.27Å | ||
| 288 | L | 62.3 | Low | 68.6 | Low | 48 Ų | 48 | 44.9 Ų | 44.9 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | trans | -102.5 | 113.3 | -166.9 | -59.6 | 162.5 | 0 | 0 | 0 | 109.6 | Y190 G290 S291 E622 E625 | Y190-L288 HydrophobicContact CE1-CD2 4.39Å; Y190-L288 HydrophobicContact CE2-CD2 4.5Å; Y190-L288 WeakPolarHBondContact OH-CA 3.48Å; L288-G290 PolarHBondContact O-N 3.48Å; L288-S291 PolarHBondContact O-OG 2.96Å; L288-E622 HydrophobicContact CD1-CB 4.33Å; L288-E622 WeakPolarHBondContact CD1-OE2 3.39Å; L288-E625 HydrophobicContact CB-CB 4.05Å; L288-E625 HydrophobicContact CB-CG 4.02Å; L288-E625 HydrophobicContact CD1-CB 4.06Å; L288-E625 HydrophobicContact CD2-CB 3.9Å; L288-E625 HydrophobicContact CD2-CG 3.89Å; L288-E625 HydrophobicContact CG-CB 4.2Å; L288-E625 HydrophobicContact CG-CG 4.42Å | ||
| 289 | I | 77.1 | Confident | 68.4 | Low | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -20.5 | -166.9 | -67.7 | -173.1 | 0 | 0 | 0 | 113.3 | Y190 A194 I278 F282 S291 C292 L293 L616 E625 | Y190-I289 PolarHBondContact OH-N 3.41Å; A194-I289 HydrophobicContact CB-CD1 3.58Å; I278-I289 HydrophobicContact CD1-CG2 4.07Å; I278-I289 HydrophobicContact CG1-CG2 4.2Å; I278-I289 HydrophobicContact CG2-CD1 4.42Å; F282-I289 HydrophobicContact CD2-CD1 4.12Å; F282-I289 HydrophobicContact CE2-CD1 3.47Å; F282-I289 VanDerWaalsContact CE2-CD1 3.47Å; F282-I289 HydrophobicContact CZ-CD1 3.97Å; I289-S291 PolarHBondContact O-N 2.96Å; I289-S291 VanDerWaalsContact O-N 3.09Å; I289-C292 PolarHBondContact O-N 3.48Å; I289-L293 HydrophobicContact CG2-CD1 3.82Å; I289-L293 HydrophobicContact CG2-CG 3.93Å; I289-L293 PolarHBondContact O-N 3.1Å; I289-L293 VanDerWaalsContact O-N 3.13Å; I289-L616 HydrophobicContact CB-CD2 4.47Å; I289-E625 PolarHBondContact N-OE1 3.5Å |
| 290 | G | 77.9 | Confident | 68.6 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -52.3 | -33.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L288 C292 L293 I294 E625 T628 L629 | L288-G290 PolarHBondContact O-N 3.48Å; G290-C292 PolarHBondContact O-N 3.05Å; G290-L293 PolarHBondContact O-N 3.24Å; G290-I294 WeakPolarHBondContact O-CB 3.31Å; G290-I294 WeakPolarHBondContact O-CG2 3.49Å; G290-I294 PolarHBondContact O-N 3.49Å; G290-E625 VanDerWaalsContact CA-OE2 3.24Å; G290-E625 WeakPolarHBondContact CA-OE2 3.23Å; G290-E625 PolarHBondContact N-OE1 2.91Å; G290-E625 PolarHBondContact N-OE2 2.88Å; G290-E625 VanDerWaalsContact N-OE2 3.1Å; G290-T628 VanDerWaalsContact C-CG2 3.46Å; G290-T628 WeakPolarHBondContact O-CG2 3.3Å; G290-L629 VanDerWaalsContact CA-CD2 3.46Å |
| 291 | S | 72.8 | Confident | 69.4 | Low | 37 Ų | 37 | 45.9 Ų | 45.9 | 26% | 0.259 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.2 | -18.7 | 174.8 | 67.8 | 0 | 0 | 0 | 0 | 115.8 | L288 I289 | L288-S291 PolarHBondContact O-OG 2.96Å; I289-S291 PolarHBondContact O-N 2.96Å; I289-S291 VanDerWaalsContact O-N 3.09Å |
| 292 | C | 76 | Confident | 70.5 | Confident | 15 Ų | 15 | 45 Ų | 45 | 10% | 0.101 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -97.7 | -32.9 | 172 | -63.6 | 0 | 0 | 0 | 0 | 112 | I278 I289 G290 | I278-C292 HydrophobicContact CG1-CB 3.99Å; I289-C292 PolarHBondContact O-N 3.48Å; G290-C292 PolarHBondContact O-N 3.05Å |
| 293 | L | 85.3 | Confident | 71.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.7 | -33 | 178.9 | -67.5 | 169.1 | 0 | 0 | 0 | 112.9 | I278 I289 G290 A296 A297 I613 L629 V632 | I278-L293 HydrophobicContact CD1-CD2 3.89Å; I278-L293 HydrophobicContact CD1-CG 4.4Å; I289-L293 HydrophobicContact CG2-CD1 3.82Å; I289-L293 HydrophobicContact CG2-CG 3.93Å; I289-L293 PolarHBondContact O-N 3.1Å; I289-L293 VanDerWaalsContact O-N 3.13Å; G290-L293 PolarHBondContact O-N 3.24Å; L293-A296 PolarHBondContact O-N 3.38Å; L293-A297 WeakPolarHBondContact O-CB 3.44Å; L293-A297 PolarHBondContact O-N 3.49Å; L293-I613 HydrophobicContact CD1-CD1 3.96Å; L293-I613 HydrophobicContact CD1-CG1 3.83Å; L293-I613 HydrophobicContact CD2-CD1 4.04Å; L293-L629 HydrophobicContact CD1-CD2 3.92Å; L293-V632 HydrophobicContact CB-CG1 4.04Å; L293-V632 HydrophobicContact CB-CG2 3.84Å |
| 294 | I | 84.1 | Confident | 73.2 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 10% | 0.097 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.3 | -41.8 | -178.6 | -167.8 | 65.3 | 0 | 0 | 0 | 111.9 | G290 A296 A297 E298 T628 D631 V632 L635 | G290-I294 WeakPolarHBondContact O-CB 3.31Å; G290-I294 WeakPolarHBondContact O-CG2 3.49Å; G290-I294 PolarHBondContact O-N 3.49Å; I294-A296 PolarHBondContact O-N 2.89Å; I294-A297 CarbonylContact O-C 3.56Å; I294-A297 WeakPolarHBondContact O-CB 3.25Å; I294-A297 PolarHBondContact O-N 3.22Å; I294-A297 VanDerWaalsContact O-N 3.08Å; I294-E298 HydrophobicContact CD1-CG 4.27Å; I294-E298 HydrophobicContact CG1-CG 4.21Å; I294-E298 WeakPolarHBondContact O-CB 3.25Å; I294-E298 WeakPolarHBondContact O-CG 3.42Å; I294-E298 PolarHBondContact O-N 3.26Å; I294-T628 HydrophobicContact CB-CG2 3.85Å; I294-T628 HydrophobicContact CG1-CG2 4.34Å; I294-T628 HydrophobicContact CG2-CG2 3.93Å; I294-D631 HydrophobicContact CD1-CB 3.82Å; I294-V632 HydrophobicContact CB-CG2 3.86Å; I294-V632 HydrophobicContact CD1-CG2 3.86Å; I294-V632 HydrophobicContact CG1-CG2 4.46Å; I294-L635 HydrophobicContact CD1-CD1 3.89Å |
| 295 | E | 74.9 | Confident | 75.4 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.3 | -177.1 | 168.2 | -124.3 | 0 | 0 | 111.1 | A297 E298 D299 R1072 | E295-A297 PolarHBondContact O-N 3.2Å; E295-E298 PolarHBondContact O-N 2.96Å; E295-D299 VanDerWaalsContact O-CB 3.23Å; E295-D299 WeakPolarHBondContact O-CB 3.42Å; E295-D299 PolarHBondContact O-N 2.95Å; E295-R1072 IonicContact OE1-CZ 2.59Å; E295-R1072 IonicContact OE1-NH1 2.65Å; E295-R1072 IonicContact OE1-NH2 3.32Å; E295-R1072 PolarHBondContact OE1-NH2 3.21Å; E295-R1072 IonicContact OE2-CZ 2.76Å; E295-R1072 VanDerWaalsContact OE2-CZ 3.27Å; E295-R1072 IonicContact OE2-NH1 3.43Å; E295-R1072 PolarHBondContact OE2-NH1 3.31Å; E295-R1072 IonicContact OE2-NH2 2.72Å; E295-R1072 PolarHBondContact OE2-NH2 3.33Å |
| 296 | A | 80 | Confident | 77.7 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.7 | -20.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L274 L293 I294 T301 L302 | L274-A296 HydrophobicContact CD1-CB 3.88Å; L274-A296 HydrophobicContact CD2-CB 4.13Å; L293-A296 PolarHBondContact O-N 3.38Å; I294-A296 PolarHBondContact O-N 2.89Å; A296-T301 HydrophobicContact CB-CG2 3.88Å; A296-T301 VanDerWaalsContact O-CB 3.28Å; A296-T301 WeakPolarHBondContact O-CB 3.39Å; A296-T301 PolarHBondContact O-N 3.44Å; A296-L302 HydrophobicContact CB-CD1 4.47Å; A296-L302 HydrophobicContact CB-CG 4.39Å; A296-L302 WeakPolarHBondContact O-CG 3.36Å; A296-L302 PolarHBondContact O-N 3.21Å; A296-L302 VanDerWaalsContact O-N 3.09Å |
| 297 | A | 85 | Confident | 79.9 | Confident | 14 Ų | 14 | 30.2 Ų | 30.2 | 12% | 0.116 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -86.5 | -39.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L293 I294 E295 L302 L635 | L293-A297 WeakPolarHBondContact O-CB 3.44Å; L293-A297 PolarHBondContact O-N 3.49Å; I294-A297 CarbonylContact O-C 3.56Å; I294-A297 WeakPolarHBondContact O-CB 3.25Å; I294-A297 PolarHBondContact O-N 3.22Å; I294-A297 VanDerWaalsContact O-N 3.08Å; E295-A297 PolarHBondContact O-N 3.2Å; A297-L302 HydrophobicContact CB-CD1 4.13Å; A297-L635 HydrophobicContact CB-CB 3.88Å; A297-L635 HydrophobicContact CB-CD1 3.68Å; A297-L635 HydrophobicContact CB-CG 4.44Å |
| 298 | E | 81.2 | Confident | 81.7 | Confident | 104 Ų | 104 | 26.9 Ų | 26.9 | 49% | 0.486 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -75 | -39.9 | 178.7 | -70.8 | -176.8 | 145.3 | 0 | 0 | 112.4 | I294 E295 G300 L635 | I294-E298 HydrophobicContact CD1-CG 4.27Å; I294-E298 HydrophobicContact CG1-CG 4.21Å; I294-E298 WeakPolarHBondContact O-CB 3.25Å; I294-E298 WeakPolarHBondContact O-CG 3.42Å; I294-E298 PolarHBondContact O-N 3.26Å; E295-E298 PolarHBondContact O-N 2.96Å; E298-G300 PolarHBondContact O-N 3.35Å; E298-L635 HydrophobicContact CG-CD1 3.78Å |
| 299 | D | 73.2 | Confident | 83.1 | Confident | 73 Ų | 73 | 24.6 Ų | 24.6 | 39% | 0.39 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 0.3 | 174.5 | -80 | -7.5 | 0 | 0 | 0 | 113 | E295 T301 Q1064 | E295-D299 VanDerWaalsContact O-CB 3.23Å; E295-D299 WeakPolarHBondContact O-CB 3.42Å; E295-D299 PolarHBondContact O-N 2.95Å; D299-T301 PolarHBondContact O-N 2.71Å; D299-Q1064 PolarHBondContact OD2-NE2 3.36Å |
| 300 | G | 76.4 | Confident | 83.9 | Confident | 26 Ų | 26 | 28 Ų | 28 | 27% | 0.268 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 67.1 | 4.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E298 L302 Y303 | E298-G300 PolarHBondContact O-N 3.35Å; G300-L302 PolarHBondContact O-N 3.46Å; G300-Y303 WeakPolarHBondContact O-CA 3.33Å; G300-Y303 VanDerWaalsContact O-CB 3.27Å; G300-Y303 WeakPolarHBondContact O-CB 3.24Å; G300-Y303 PolarHBondContact O-N 2.97Å |
| 301 | T | 78.6 | Confident | 84.5 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -41.5 | 179.6 | -88.1 | 0 | 0 | 0 | 0 | 112.1 | H270 A296 D299 | H270-T301 HydrophobicContact CB-CG2 3.97Å; H270-T301 PolarHBondContact ND1-OG1 2.95Å; A296-T301 HydrophobicContact CB-CG2 3.88Å; A296-T301 VanDerWaalsContact O-CB 3.28Å; A296-T301 WeakPolarHBondContact O-CB 3.39Å; A296-T301 PolarHBondContact O-N 3.44Å; D299-T301 PolarHBondContact O-N 2.71Å |
| 302 | L | 86.2 | Confident | 85.4 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -23.3 | 176.4 | -64.5 | 169.6 | 0 | 0 | 0 | 113.3 | L274 A296 A297 G300 N304 F305 L606 L609 L636 T639 | L274-L302 HydrophobicContact CD2-CD2 4.13Å; A296-L302 HydrophobicContact CB-CD1 4.47Å; A296-L302 HydrophobicContact CB-CG 4.39Å; A296-L302 WeakPolarHBondContact O-CG 3.36Å; A296-L302 PolarHBondContact O-N 3.21Å; A296-L302 VanDerWaalsContact O-N 3.09Å; A297-L302 HydrophobicContact CB-CD1 4.13Å; G300-L302 PolarHBondContact O-N 3.46Å; L302-N304 VanDerWaalsContact C-N 3.29Å; L302-N304 PolarHBondContact O-N 3.39Å; L302-F305 HydrophobicContact CD2-CE2 4.47Å; L302-F305 WeakPolarHBondContact O-CD2 3.29Å; L302-F305 PolarHBondContact O-N 2.91Å; L302-L606 HydrophobicContact CD2-CD1 4.28Å; L302-L609 HydrophobicContact CD2-CD2 4.2Å; L302-L636 HydrophobicContact CB-CD2 4.08Å; L302-L636 HydrophobicContact CD1-CD1 4.18Å; L302-L636 HydrophobicContact CD1-CD2 3.95Å; L302-L636 HydrophobicContact CD1-CG 3.97Å; L302-L636 HydrophobicContact CG-CD2 4.49Å; L302-T639 VanDerWaalsContact O-CG2 3.28Å; L302-T639 WeakPolarHBondContact O-CG2 3.47Å |
| 303 | Y | 89.2 | Confident | 86.1 | Confident | 78 Ų | 78 | 28.2 Ų | 28.2 | 31% | 0.306 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.8 | 178.6 | -171.4 | -120.3 | 0 | 0 | 0 | 112.9 | G300 F305 A306 H307 T639 | G300-Y303 WeakPolarHBondContact O-CA 3.33Å; G300-Y303 VanDerWaalsContact O-CB 3.27Å; G300-Y303 WeakPolarHBondContact O-CB 3.24Å; G300-Y303 PolarHBondContact O-N 2.97Å; Y303-F305 PolarHBondContact O-N 3.19Å; Y303-F305 VanDerWaalsContact O-N 3.12Å; Y303-A306 HydrophobicContact CD2-CB 4.06Å; Y303-A306 HydrophobicContact CE2-CB 3.92Å; Y303-A306 WeakPolarHBondContact O-CB 3.27Å; Y303-A306 PolarHBondContact O-N 3.09Å; Y303-H307 AromaticContact CD1-NE2 3.78Å; Y303-H307 AromaticContact CE1-CE1 3.59Å; Y303-H307 AromaticContact CE1-NE2 3.38Å; Y303-H307 WeakPolarHBondContact CE1-NE2 3.4Å; Y303-T639 HydrophobicContact CD2-CG2 4.48Å |
| 304 | N | 87.3 | Confident | 86.3 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 16% | 0.16 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.6 | -25.7 | 176.8 | -67.8 | -28.7 | 0 | 0 | 0 | 113.6 | V267 H270 L302 A306 H307 Y308 | V267-N304 HydrophobicContact CG2-CB 4.16Å; H270-N304 PolarHBondContact CD2-ND2 2.85Å; H270-N304 PolarHBondContact NE2-ND2 2.99Å; L302-N304 VanDerWaalsContact C-N 3.29Å; L302-N304 PolarHBondContact O-N 3.39Å; N304-A306 VanDerWaalsContact C-N 3.31Å; N304-A306 PolarHBondContact O-N 3.01Å; N304-H307 PolarHBondContact O-N 3.37Å; N304-Y308 WeakPolarHBondContact O-CB 3.23Å; N304-Y308 PolarHBondContact O-N 2.67Å |
| 305 | F | 91.9 | Very high | 86.3 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 4% | 0.044 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.3 | -33.6 | 170.9 | -74.7 | -97.8 | 0 | 0 | 0 | 113 | V267 V271 L302 Y303 Y308 A309 P602 N603 L606 V643 | V267-F305 HydrophobicContact CG1-CD1 4.02Å; V267-F305 HydrophobicContact CG1-CD2 4.26Å; V267-F305 HydrophobicContact CG1-CE1 3.71Å; V267-F305 HydrophobicContact CG1-CE2 3.97Å; V267-F305 HydrophobicContact CG1-CG 4.31Å; V267-F305 HydrophobicContact CG1-CZ 3.71Å; V271-F305 HydrophobicContact CG2-CE2 3.7Å; V271-F305 HydrophobicContact CG2-CZ 3.41Å; V271-F305 VanDerWaalsContact CG2-CZ 3.41Å; L302-F305 HydrophobicContact CD2-CE2 4.47Å; L302-F305 WeakPolarHBondContact O-CD2 3.29Å; L302-F305 PolarHBondContact O-N 2.91Å; Y303-F305 PolarHBondContact O-N 3.19Å; Y303-F305 VanDerWaalsContact O-N 3.12Å; F305-Y308 PolarHBondContact O-N 3.16Å; F305-A309 WeakPolarHBondContact O-CB 3.44Å; F305-A309 PolarHBondContact O-N 2.71Å; F305-P602 HydrophobicContact CD1-CB 4.35Å; F305-P602 HydrophobicContact CE1-CB 4.01Å; F305-P602 VanDerWaalsContact CE1-O 3.28Å; F305-P602 WeakPolarHBondContact CE1-O 3.36Å; F305-N603 PolarHBondContact O-OD1 2.89Å; F305-L606 HydrophobicContact CB-CD1 4.4Å; F305-L606 HydrophobicContact CB-CD2 3.79Å; F305-L606 HydrophobicContact CB-CG 4.47Å; F305-L606 HydrophobicContact CD1-CB 3.88Å; F305-L606 HydrophobicContact CD1-CD1 4.45Å; F305-L606 HydrophobicContact CD2-CD1 3.87Å; F305-L606 HydrophobicContact CE1-CB 4.12Å; F305-L606 HydrophobicContact CE2-CD1 4.13Å; F305-L606 HydrophobicContact CG-CB 4.21Å; F305-L606 HydrophobicContact CG-CD1 4.02Å; F305-L606 HydrophobicContact CG-CD2 4.21Å; F305-L606 HydrophobicContact CG-CG 4.36Å; F305-V643 HydrophobicContact CB-CG2 4.35Å |
| 306 | A | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -46.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y303 N304 Y308 A309 D310 T639 T642 V643 | Y303-A306 HydrophobicContact CD2-CB 4.06Å; Y303-A306 HydrophobicContact CE2-CB 3.92Å; Y303-A306 WeakPolarHBondContact O-CB 3.27Å; Y303-A306 PolarHBondContact O-N 3.09Å; N304-A306 VanDerWaalsContact C-N 3.31Å; N304-A306 PolarHBondContact O-N 3.01Å; A306-Y308 VanDerWaalsContact C-N 3.3Å; A306-Y308 PolarHBondContact O-N 2.72Å; A306-A309 PolarHBondContact O-N 3.46Å; A306-A309 VanDerWaalsContact O-N 3.13Å; A306-D310 VanDerWaalsContact O-CG 3.24Å; A306-D310 PolarHBondContact O-N 3.29Å; A306-T639 HydrophobicContact CB-CG2 4.07Å; A306-T642 HydrophobicContact CB-CG2 3.95Å; A306-V643 HydrophobicContact CB-CG2 4.27Å |
| 307 | H | 90.7 | Very high | 87.2 | Confident | 64 Ų | 64 | 36 Ų | 36 | 30% | 0.296 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.3 | -37.6 | 174.2 | -70.4 | -34.9 | 0 | 0 | 0 | 113 | Y303 N304 T311 | Y303-H307 AromaticContact CD1-NE2 3.78Å; Y303-H307 AromaticContact CE1-CE1 3.59Å; Y303-H307 AromaticContact CE1-NE2 3.38Å; Y303-H307 WeakPolarHBondContact CE1-NE2 3.4Å; N304-H307 PolarHBondContact O-N 3.37Å; H307-T311 WeakPolarHBondContact O-CB 3.43Å; H307-T311 PolarHBondContact O-N 3.45Å; H307-T311 PolarHBondContact O-OG1 3.33Å |
| 308 | Y | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 172.5 | 174.3 | -105.1 | 0 | 0 | 0 | 112.4 | V260 R263 A264 V267 N304 F305 A306 T311 L312 L599 P602 N603 | V260-Y308 HydrophobicContact CG1-CE2 4.2Å; R263-Y308 HydrophobicContact CB-CD2 3.84Å; A264-Y308 HydrophobicContact CB-CD2 4.42Å; A264-Y308 HydrophobicContact CB-CE2 3.88Å; V267-Y308 HydrophobicContact CG2-CG 4.41Å; N304-Y308 WeakPolarHBondContact O-CB 3.23Å; N304-Y308 PolarHBondContact O-N 2.67Å; F305-Y308 PolarHBondContact O-N 3.16Å; A306-Y308 VanDerWaalsContact C-N 3.3Å; A306-Y308 PolarHBondContact O-N 2.72Å; Y308-T311 PolarHBondContact O-N 3.41Å; Y308-L312 HydrophobicContact CE1-CD2 4.24Å; Y308-L312 VanDerWaalsContact O-CB 3.26Å; Y308-L312 WeakPolarHBondContact O-CB 3.19Å; Y308-L312 PolarHBondContact O-N 2.94Å; Y308-L599 WeakPolarHBondContact CE1-O 3.5Å; Y308-L599 WeakPolarHBondContact OH-CA 3.47Å; Y308-L599 WeakPolarHBondContact OH-CD2 3.25Å; Y308-L599 PolarHBondContact OH-O 2.89Å; Y308-P602 HydrophobicContact CE1-CB 4.25Å; Y308-P602 HydrophobicContact CE1-CG 4.2Å; Y308-N603 WeakPolarHBondContact CD1-ND2 3.41Å |
| 309 | A | 92.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -49.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F305 A306 T311 L312 F313 V643 A646 | F305-A309 WeakPolarHBondContact O-CB 3.44Å; F305-A309 PolarHBondContact O-N 2.71Å; A306-A309 PolarHBondContact O-N 3.46Å; A306-A309 VanDerWaalsContact O-N 3.13Å; A309-T311 VanDerWaalsContact C-N 3.26Å; A309-T311 PolarHBondContact O-N 3.01Å; A309-L312 PolarHBondContact O-N 3.28Å; A309-F313 VanDerWaalsContact O-CD2 3.25Å; A309-F313 WeakPolarHBondContact O-CD2 3.39Å; A309-F313 PolarHBondContact O-N 3.39Å; A309-V643 HydrophobicContact CB-CG2 4.11Å; A309-A646 HydrophobicContact CB-CB 4.1Å |
| 310 | D | 92 | Very high | 88.5 | Confident | 77 Ų | 77 | 35.9 Ų | 35.9 | 41% | 0.412 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 177.2 | -64.7 | -25.9 | 0 | 0 | 0 | 110.8 | A306 S314 | A306-D310 VanDerWaalsContact O-CG 3.24Å; A306-D310 PolarHBondContact O-N 3.29Å; D310-S314 PolarHBondContact O-N 2.97Å; D310-S314 VanDerWaalsContact O-N 3.09Å |
| 311 | T | 91.8 | Very high | 89.2 | Confident | 18 Ų | 18 | 34.8 Ų | 34.8 | 11% | 0.11 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -49.4 | 175.1 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | L259 V260 R263 H307 Y308 A309 F313 S314 | L259-T311 HydrophobicContact CB-CG2 4.12Å; L259-T311 HydrophobicContact CD2-CG2 3.85Å; L259-T311 HydrophobicContact CG-CG2 3.71Å; V260-T311 HydrophobicContact CG2-CG2 3.9Å; R263-T311 HydrophobicContact CG-CG2 4.02Å; H307-T311 WeakPolarHBondContact O-CB 3.43Å; H307-T311 PolarHBondContact O-N 3.45Å; H307-T311 PolarHBondContact O-OG1 3.33Å; Y308-T311 PolarHBondContact O-N 3.41Å; A309-T311 VanDerWaalsContact C-N 3.26Å; A309-T311 PolarHBondContact O-N 3.01Å; T311-F313 VanDerWaalsContact C-N 3.28Å; T311-F313 PolarHBondContact O-N 3.06Å; T311-S314 WeakPolarHBondContact O-CB 3.49Å; T311-S314 PolarHBondContact O-N 3.44Å; T311-S314 PolarHBondContact O-OG 3.41Å |
| 312 | L | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -31.5 | -177.6 | 179.4 | 62.7 | 0 | 0 | 0 | 113.4 | V260 Y308 A309 C317 L599 L600 | V260-L312 HydrophobicContact CG1-CD1 4.07Å; V260-L312 HydrophobicContact CG2-CD1 4.34Å; Y308-L312 HydrophobicContact CE1-CD2 4.24Å; Y308-L312 VanDerWaalsContact O-CB 3.26Å; Y308-L312 WeakPolarHBondContact O-CB 3.19Å; Y308-L312 PolarHBondContact O-N 2.94Å; A309-L312 PolarHBondContact O-N 3.28Å; L312-C317 HydrophobicContact CD1-CB 3.91Å; L312-L599 HydrophobicContact CD1-CB 3.83Å; L312-L599 HydrophobicContact CD1-CD1 3.98Å; L312-L599 HydrophobicContact CD1-CG 4.37Å; L312-L599 HydrophobicContact CD2-CB 4.17Å; L312-L599 WeakPolarHBondContact CD2-O 3.42Å; L312-L600 HydrophobicContact CD2-CD2 4.33Å |
| 313 | F | 90.5 | Very high | 89.6 | Confident | 36 Ų | 36 | 38.5 Ų | 38.5 | 16% | 0.158 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -102.2 | 2.8 | -179.8 | -64.3 | -62.8 | 0 | 0 | 0 | 114.6 | A309 T311 N315 L600 A646 L647 Q650 W652 V653 | A309-F313 VanDerWaalsContact O-CD2 3.25Å; A309-F313 WeakPolarHBondContact O-CD2 3.39Å; A309-F313 PolarHBondContact O-N 3.39Å; T311-F313 VanDerWaalsContact C-N 3.28Å; T311-F313 PolarHBondContact O-N 3.06Å; F313-N315 PolarHBondContact O-N 3.15Å; F313-L600 HydrophobicContact CE1-CD2 4.02Å; F313-L600 HydrophobicContact CZ-CD2 3.52Å; F313-A646 HydrophobicContact CD2-CB 3.88Å; F313-A646 HydrophobicContact CE2-CB 4.29Å; F313-L647 HydrophobicContact CE2-CD2 4.01Å; F313-L647 HydrophobicContact CZ-CD2 3.97Å; F313-Q650 HydrophobicContact CD1-CG 3.76Å; F313-Q650 HydrophobicContact CE1-CB 4.47Å; F313-Q650 HydrophobicContact CE1-CG 3.78Å; F313-Q650 HydrophobicContact CG-CG 4.47Å; F313-Q650 HydrophobicContact CZ-CG 4.5Å; F313-W652 HydrophobicContact CE1-CZ2 4.4Å; F313-V653 HydrophobicContact CE1-CG2 4.11Å; F313-V653 HydrophobicContact CZ-CG2 4.15Å |
| 314 | S | 88.1 | Confident | 89.5 | Confident | 69 Ų | 69 | 34.8 Ų | 34.8 | 48% | 0.483 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -61.2 | -28.7 | 172.5 | 66.5 | 0 | 0 | 0 | 0 | 113.3 | D310 T311 | D310-S314 PolarHBondContact O-N 2.97Å; D310-S314 VanDerWaalsContact O-N 3.09Å; T311-S314 WeakPolarHBondContact O-CB 3.49Å; T311-S314 PolarHBondContact O-N 3.44Å; T311-S314 PolarHBondContact O-OG 3.41Å |
| 315 | N | 85.6 | Confident | 89.4 | Confident | 84 Ų | 84 | 33.4 Ų | 33.4 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -142.6 | 150.4 | 179 | -65 | -94.2 | 0 | 0 | 0 | 107.4 | F313 C317 | F313-N315 PolarHBondContact O-N 3.15Å; N315-C317 PolarHBondContact O-N 2.79Å |
| 316 | D | 84.6 | Confident | 88.7 | Confident | 58 Ų | 58 | 36.9 Ų | 36.9 | 31% | 0.31 | 19% | 0.191 | S | C | . | . | trans | -68 | 111.1 | 177.6 | -170.3 | -20.2 | 0 | 0 | 0 | 110.1 | R318 E319 W320 | D316-R318 PolarHBondContact O-N 2.96Å; D316-R318 VanDerWaalsContact OD1-CB 3.28Å; D316-R318 WeakPolarHBondContact OD1-CB 3.32Å; D316-R318 WeakPolarHBondContact OD1-CG 3.46Å; D316-R318 IonicContact OD1-CZ 3.93Å; D316-R318 PolarHBondContact OD1-N 3.26Å; D316-R318 IonicContact OD1-NE 3.18Å; D316-R318 PolarHBondContact OD1-NE 3Å; D316-R318 IonicContact OD1-NH2 3.04Å; D316-R318 IonicContact OD2-CZ 2.69Å; D316-R318 IonicContact OD2-NE 3.93Å; D316-R318 PolarHBondContact OD2-NE 2.81Å; D316-R318 IonicContact OD2-NH2 3.22Å; D316-R318 PolarHBondContact OD2-NH2 2.82Å; D316-E319 HydrophobicContact CB-CB 4.18Å; D316-E319 WeakPolarHBondContact O-CB 3.44Å; D316-E319 PolarHBondContact O-N 3.5Å; D316-W320 PolarHBondContact O-N 2.78Å | ||
| 317 | C | 88.6 | Confident | 88.3 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.1 | -26.5 | 179.4 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | L312 N315 W320 I321 L599 | L312-C317 HydrophobicContact CD1-CB 3.91Å; N315-C317 PolarHBondContact O-N 2.79Å; C317-W320 HydrophobicContact CB-CZ2 4.25Å; C317-I321 WeakPolarHBondContact O-CB 3.34Å; C317-I321 WeakPolarHBondContact O-CD1 3.08Å; C317-I321 WeakPolarHBondContact O-CG1 3.43Å; C317-I321 PolarHBondContact O-N 3.19Å; C317-L599 HydrophobicContact CB-CD1 4.45Å |
| 318 | R | 87.7 | Confident | 87.7 | Confident | 72 Ų | 72 | 35.9 Ų | 35.9 | 27% | 0.272 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -75.9 | -28.5 | 177.6 | -52.7 | 170.7 | -60.6 | 160.5 | 4.2 | 111.8 | D316 S322 P596 W652 E917 | D316-R318 PolarHBondContact O-N 2.96Å; D316-R318 VanDerWaalsContact OD1-CB 3.28Å; D316-R318 WeakPolarHBondContact OD1-CB 3.32Å; D316-R318 WeakPolarHBondContact OD1-CG 3.46Å; D316-R318 IonicContact OD1-CZ 3.93Å; D316-R318 PolarHBondContact OD1-N 3.26Å; D316-R318 IonicContact OD1-NE 3.18Å; D316-R318 PolarHBondContact OD1-NE 3Å; D316-R318 IonicContact OD1-NH2 3.04Å; D316-R318 IonicContact OD2-CZ 2.69Å; D316-R318 IonicContact OD2-NE 3.93Å; D316-R318 PolarHBondContact OD2-NE 2.81Å; D316-R318 IonicContact OD2-NH2 3.22Å; D316-R318 PolarHBondContact OD2-NH2 2.82Å; R318-S322 WeakPolarHBondContact O-CB 3.27Å; R318-S322 PolarHBondContact O-N 3.21Å; R318-P596 HydrophobicContact CG-CB 4.39Å; R318-W652 HydrophobicContact CG-CH2 4.3Å; R318-W652 HydrophobicContact CG-CZ2 4.34Å; R318-E917 IonicContact NH1-OE1 2.72Å; R318-E917 PolarHBondContact NH1-OE1 3.01Å |
| 319 | E | 87.1 | Confident | 87 | Confident | 113 Ų | 113 | 36.6 Ų | 36.6 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -72.4 | -51.2 | 174.9 | -175.4 | 172.2 | -170 | 0 | 0 | 110.5 | D316 I321 S322 I323 | D316-E319 HydrophobicContact CB-CB 4.18Å; D316-E319 WeakPolarHBondContact O-CB 3.44Å; D316-E319 PolarHBondContact O-N 3.5Å; E319-I321 PolarHBondContact O-N 2.7Å; E319-S322 WeakPolarHBondContact O-CB 3.21Å; E319-S322 PolarHBondContact O-N 2.77Å; E319-S322 VanDerWaalsContact O-N 3.15Å; E319-I323 HydrophobicContact CG-CD1 4.05Å; E319-I323 WeakPolarHBondContact O-CG1 3.44Å; E319-I323 PolarHBondContact O-N 3.29Å |
| 320 | W | 91.9 | Very high | 86.6 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.3 | -38.7 | 178.6 | 69 | -115.4 | 0 | 0 | 0 | 112.4 | A253 S256 A257 V260 D316 C317 S322 I323 L324 L599 | A253-W320 HydrophobicContact CB-CB 3.67Å; S256-W320 VanDerWaalsContact CB-CD1 3.44Å; A257-W320 HydrophobicContact CB-CD2 4.13Å; A257-W320 HydrophobicContact CB-CE3 3.58Å; A257-W320 HydrophobicContact CB-CH2 4.01Å; A257-W320 HydrophobicContact CB-CZ2 4.47Å; A257-W320 HydrophobicContact CB-CZ3 3.52Å; V260-W320 HydrophobicContact CB-CZ2 4.14Å; V260-W320 HydrophobicContact CG1-CZ2 4.14Å; V260-W320 HydrophobicContact CG2-CZ2 4.18Å; D316-W320 PolarHBondContact O-N 2.78Å; C317-W320 HydrophobicContact CB-CZ2 4.25Å; W320-S322 VanDerWaalsContact C-N 3.31Å; W320-S322 PolarHBondContact O-N 2.8Å; W320-I323 PolarHBondContact O-N 3.04Å; W320-L324 HydrophobicContact CE3-CD1 3.82Å; W320-L324 HydrophobicContact CZ3-CD1 4.19Å; W320-L324 VanDerWaalsContact O-CG 3.31Å; W320-L324 WeakPolarHBondContact O-CG 3.47Å; W320-L324 PolarHBondContact O-N 3.07Å; W320-L599 HydrophobicContact CH2-CD1 3.98Å; W320-L599 HydrophobicContact CZ2-CD1 3.92Å |
| 321 | I | 90.4 | Very high | 86 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 171.9 | -72.5 | 171.6 | 0 | 0 | 0 | 111 | C317 E319 A325 F591 L595 P596 L599 | C317-I321 WeakPolarHBondContact O-CB 3.34Å; C317-I321 WeakPolarHBondContact O-CD1 3.08Å; C317-I321 WeakPolarHBondContact O-CG1 3.43Å; C317-I321 PolarHBondContact O-N 3.19Å; E319-I321 PolarHBondContact O-N 2.7Å; I321-A325 WeakPolarHBondContact O-CB 3.44Å; I321-A325 PolarHBondContact O-N 3.31Å; I321-F591 HydrophobicContact CG2-CD1 4.24Å; I321-F591 HydrophobicContact CG2-CE1 4.09Å; I321-F591 VanDerWaalsContact CG2-O 3.22Å; I321-F591 WeakPolarHBondContact CG2-O 3.23Å; I321-L595 HydrophobicContact CD1-CB 4.32Å; I321-L595 HydrophobicContact CD1-CD2 3.99Å; I321-L595 HydrophobicContact CD1-CG 3.97Å; I321-L595 HydrophobicContact CG1-CD2 4.39Å; I321-P596 HydrophobicContact CD1-CB 4.25Å; I321-P596 HydrophobicContact CD1-CG 3.67Å; I321-P596 HydrophobicContact CG2-CG 4.36Å; I321-L599 HydrophobicContact CD1-CD1 4.03Å |
| 322 | S | 86.5 | Confident | 85.5 | Confident | 49 Ų | 49 | 42.2 Ų | 42.2 | 34% | 0.343 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | R318 E319 W320 A325 Q326 | R318-S322 WeakPolarHBondContact O-CB 3.27Å; R318-S322 PolarHBondContact O-N 3.21Å; E319-S322 WeakPolarHBondContact O-CB 3.21Å; E319-S322 PolarHBondContact O-N 2.77Å; E319-S322 VanDerWaalsContact O-N 3.15Å; W320-S322 VanDerWaalsContact C-N 3.31Å; W320-S322 PolarHBondContact O-N 2.8Å; S322-A325 PolarHBondContact O-N 3.4Å; S322-Q326 VanDerWaalsContact O-CG 3.31Å; S322-Q326 WeakPolarHBondContact O-CG 3.44Å; S322-Q326 PolarHBondContact O-N 3.28Å; S322-Q326 PolarHBondContact O-NE2 2.86Å; S322-Q326 PolarHBondContact OG-NE2 3.36Å |
| 323 | I | 86.4 | Confident | 85 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 21% | 0.205 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -50.2 | 178.2 | -67.8 | 164.2 | 0 | 0 | 0 | 110.6 | R249 L250 A253 E319 W320 A325 Q326 T327 | R249-I323 HydrophobicContact CB-CD1 4.49Å; L250-I323 HydrophobicContact CD1-CG2 3.97Å; A253-I323 HydrophobicContact CB-CB 3.99Å; A253-I323 HydrophobicContact CB-CD1 4.07Å; A253-I323 HydrophobicContact CB-CG2 3.82Å; E319-I323 HydrophobicContact CG-CD1 4.05Å; E319-I323 WeakPolarHBondContact O-CG1 3.44Å; E319-I323 PolarHBondContact O-N 3.29Å; W320-I323 PolarHBondContact O-N 3.04Å; I323-A325 VanDerWaalsContact C-N 3.31Å; I323-A325 PolarHBondContact O-N 2.77Å; I323-Q326 PolarHBondContact O-N 3.43Å; I323-T327 PolarHBondContact O-N 2.64Å; I323-T327 PolarHBondContact O-OG1 3.27Å; I323-T327 VanDerWaalsContact O-OG1 3.12Å |
| 324 | L | 87.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 179.3 | -59.2 | -178.9 | 0 | 0 | 0 | 111.7 | L223 L250 A253 I254 A257 W320 Q326 T327 I330 F591 | L223-L324 HydrophobicContact CD2-CD1 3.95Å; L223-L324 HydrophobicContact CD2-CD2 4.07Å; L250-L324 HydrophobicContact CD1-CD2 3.93Å; A253-L324 HydrophobicContact CB-CD2 4.22Å; A253-L324 HydrophobicContact CB-CG 4.4Å; I254-L324 HydrophobicContact CG1-CD2 3.72Å; A257-L324 HydrophobicContact CB-CD1 3.67Å; W320-L324 HydrophobicContact CE3-CD1 3.82Å; W320-L324 HydrophobicContact CZ3-CD1 4.19Å; W320-L324 VanDerWaalsContact O-CG 3.31Å; W320-L324 WeakPolarHBondContact O-CG 3.47Å; W320-L324 PolarHBondContact O-N 3.07Å; L324-Q326 PolarHBondContact O-N 2.9Å; L324-T327 WeakPolarHBondContact O-CB 3.47Å; L324-T327 PolarHBondContact O-N 3.35Å; L324-I330 HydrophobicContact CB-CD1 3.94Å; L324-I330 HydrophobicContact CB-CG2 4.37Å; L324-I330 HydrophobicContact CD2-CD1 3.54Å; L324-I330 HydrophobicContact CG-CD1 4.21Å; L324-F591 HydrophobicContact CB-CE1 3.98Å; L324-F591 HydrophobicContact CB-CZ 4Å; L324-F591 HydrophobicContact CD1-CZ 4.33Å |
| 325 | A | 84.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 4.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I321 S322 I323 F591 R592 | I321-A325 WeakPolarHBondContact O-CB 3.44Å; I321-A325 PolarHBondContact O-N 3.31Å; S322-A325 PolarHBondContact O-N 3.4Å; I323-A325 VanDerWaalsContact C-N 3.31Å; I323-A325 PolarHBondContact O-N 2.77Å; A325-F591 HydrophobicContact CB-CD1 3.82Å; A325-F591 HydrophobicContact CB-CE1 3.95Å; A325-R592 HydrophobicContact CB-CG 3.55Å; A325-R592 PolarHBondContact O-NE 2.79Å; A325-R592 PolarHBondContact O-NH2 3.01Å |
| 326 | Q | 78.4 | Confident | 84 | Confident | 82 Ų | 82 | 40.1 Ų | 40.1 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -13.5 | 167.3 | -67.5 | 170.1 | 36.8 | 0 | 0 | 112.1 | S322 I323 L324 P328 | S322-Q326 VanDerWaalsContact O-CG 3.31Å; S322-Q326 WeakPolarHBondContact O-CG 3.44Å; S322-Q326 PolarHBondContact O-N 3.28Å; S322-Q326 PolarHBondContact O-NE2 2.86Å; S322-Q326 PolarHBondContact OG-NE2 3.36Å; I323-Q326 PolarHBondContact O-N 3.43Å; L324-Q326 PolarHBondContact O-N 2.9Å; Q326-P328 WeakPolarHBondContact O-CD 3.23Å |
| 327 | T | 82.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | trans | -79 | 121.8 | -176.8 | -51.9 | 0 | 0 | 0 | 0 | 110.7 | I323 L324 C329 I330 M331 | I323-T327 PolarHBondContact O-N 2.64Å; I323-T327 PolarHBondContact O-OG1 3.27Å; I323-T327 VanDerWaalsContact O-OG1 3.12Å; L324-T327 WeakPolarHBondContact O-CB 3.47Å; L324-T327 PolarHBondContact O-N 3.35Å; T327-C329 PolarHBondContact O-N 3.33Å; T327-I330 HydrophobicContact CG2-CD1 4.14Å; T327-I330 HydrophobicContact CG2-CG1 4.17Å; T327-I330 PolarHBondContact O-N 3.23Å; T327-M331 PolarHBondContact O-N 2.76Å; T327-M331 VanDerWaalsContact O-N 3.11Å | ||
| 328 | P | 78.2 | Confident | 83.4 | Confident | 35 Ų | 35 | 39.2 Ų | 39.2 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | -169.6 | -27.7 | 37 | 0 | 0 | 0 | 115.9 | Q326 R332 L570 | Q326-P328 WeakPolarHBondContact O-CD 3.23Å; P328-R332 WeakPolarHBondContact O-CB 3.12Å; P328-R332 PolarHBondContact O-N 3.46Å; P328-R332 VanDerWaalsContact O-N 3.1Å; P328-L570 WeakPolarHBondContact CD-O 3.36Å |
| 329 | C | 79.4 | Confident | 83 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 11% | 0.108 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -48.8 | 176.4 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | T327 M331 R332 T333 L570 | T327-C329 PolarHBondContact O-N 3.33Å; C329-M331 VanDerWaalsContact C-N 3.34Å; C329-M331 PolarHBondContact O-N 2.94Å; C329-R332 WeakPolarHBondContact O-CA 3.45Å; C329-R332 VanDerWaalsContact O-CB 3.28Å; C329-R332 WeakPolarHBondContact O-CB 3.49Å; C329-R332 PolarHBondContact O-N 2.9Å; C329-T333 PolarHBondContact O-N 2.69Å; C329-T333 PolarHBondContact O-OG1 2.68Å; C329-T333 VanDerWaalsContact O-OG1 3.08Å; C329-L570 HydrophobicContact CB-CD2 4.34Å |
| 330 | I | 83.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 178.8 | -62.9 | -178.4 | 0 | 0 | 0 | 111.3 | L219 L223 L324 T327 R332 T333 I334 | L219-I330 HydrophobicContact CD2-CG2 3.87Å; L223-I330 HydrophobicContact CD2-CD1 3.93Å; L324-I330 HydrophobicContact CB-CD1 3.94Å; L324-I330 HydrophobicContact CB-CG2 4.37Å; L324-I330 HydrophobicContact CD2-CD1 3.54Å; L324-I330 HydrophobicContact CG-CD1 4.21Å; T327-I330 HydrophobicContact CG2-CD1 4.14Å; T327-I330 HydrophobicContact CG2-CG1 4.17Å; T327-I330 PolarHBondContact O-N 3.23Å; I330-R332 VanDerWaalsContact C-N 3.31Å; I330-R332 PolarHBondContact O-N 2.88Å; I330-T333 PolarHBondContact O-N 3.17Å; I330-I334 HydrophobicContact CG2-CD1 3.74Å; I330-I334 HydrophobicContact CG2-CG1 4.5Å; I330-I334 WeakPolarHBondContact O-CB 3.15Å; I330-I334 WeakPolarHBondContact O-CD1 3.31Å; I330-I334 VanDerWaalsContact O-CG1 3.23Å; I330-I334 WeakPolarHBondContact O-CG1 3.45Å; I330-I334 PolarHBondContact O-N 2.99Å |
| 331 | M | 80.4 | Confident | 82.3 | Confident | 51 Ų | 51 | 39.9 Ų | 39.9 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.7 | -37 | 174.7 | -71.1 | -169.9 | -69.4 | 0 | 0 | 112.8 | T327 C329 A335 V588 | T327-M331 PolarHBondContact O-N 2.76Å; T327-M331 VanDerWaalsContact O-N 3.11Å; C329-M331 VanDerWaalsContact C-N 3.34Å; C329-M331 PolarHBondContact O-N 2.94Å; M331-A335 WeakPolarHBondContact O-CB 3.45Å; M331-A335 PolarHBondContact O-N 2.69Å; M331-V588 HydrophobicContact CB-CG2 4.36Å; M331-V588 HydrophobicContact CG-CG1 4.26Å; M331-V588 HydrophobicContact SD-CG1 4.26Å |
| 332 | R | 80 | Confident | 81.9 | Confident | 162 Ų | 162 | 40.4 Ų | 40.4 | 61% | 0.611 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -66.4 | -44.2 | 176.5 | -169.8 | -173.4 | -63.6 | 142.1 | -2.6 | 111.5 | P328 C329 I330 A335 N336 | P328-R332 WeakPolarHBondContact O-CB 3.12Å; P328-R332 PolarHBondContact O-N 3.46Å; P328-R332 VanDerWaalsContact O-N 3.1Å; C329-R332 WeakPolarHBondContact O-CA 3.45Å; C329-R332 VanDerWaalsContact O-CB 3.28Å; C329-R332 WeakPolarHBondContact O-CB 3.49Å; C329-R332 PolarHBondContact O-N 2.9Å; I330-R332 VanDerWaalsContact C-N 3.31Å; I330-R332 PolarHBondContact O-N 2.88Å; R332-A335 PolarHBondContact O-N 3.1Å; R332-N336 VanDerWaalsContact O-CG 3.24Å; R332-N336 PolarHBondContact O-N 3.26Å |
| 333 | T | 83.4 | Confident | 81.6 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 177.6 | -47.8 | 0 | 0 | 0 | 0 | 111.4 | S218 E222 C329 I330 A335 N336 E337 | S218-T333 VanDerWaalsContact O-CG2 3.24Å; S218-T333 WeakPolarHBondContact O-CG2 3.37Å; E222-T333 HydrophobicContact CG-CG2 3.92Å; E222-T333 PolarHBondContact OE1-OG1 3.36Å; C329-T333 PolarHBondContact O-N 2.69Å; C329-T333 PolarHBondContact O-OG1 2.68Å; C329-T333 VanDerWaalsContact O-OG1 3.08Å; I330-T333 PolarHBondContact O-N 3.17Å; T333-A335 VanDerWaalsContact C-N 3.28Å; T333-A335 PolarHBondContact O-N 2.84Å; T333-N336 PolarHBondContact O-N 3.13Å; T333-E337 PolarHBondContact O-N 2.83Å |
| 334 | I | 83.3 | Confident | 81.3 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.4 | -38.5 | 174.8 | -68.7 | 168.1 | 0 | 0 | 0 | 111.6 | L219 I330 F338 M587 V588 F591 | L219-I334 HydrophobicContact CD1-CD1 4.47Å; L219-I334 HydrophobicContact CD2-CD1 4.17Å; L219-I334 HydrophobicContact CD2-CG1 3.84Å; I330-I334 HydrophobicContact CG2-CD1 3.74Å; I330-I334 HydrophobicContact CG2-CG1 4.5Å; I330-I334 WeakPolarHBondContact O-CB 3.15Å; I330-I334 WeakPolarHBondContact O-CD1 3.31Å; I330-I334 VanDerWaalsContact O-CG1 3.23Å; I330-I334 WeakPolarHBondContact O-CG1 3.45Å; I330-I334 PolarHBondContact O-N 2.99Å; I334-F338 PolarHBondContact O-N 3.29Å; I334-M587 VanDerWaalsContact CG2-C 3.42Å; I334-M587 HydrophobicContact CG2-CB 3.55Å; I334-M587 WeakPolarHBondContact CG2-O 3.43Å; I334-M587 WeakPolarHBondContact O-CB 3.47Å; I334-V588 HydrophobicContact CB-CG2 4.46Å; I334-V588 HydrophobicContact CG2-CG2 3.99Å; I334-F591 HydrophobicContact CD1-CB 3.97Å; I334-F591 HydrophobicContact CD1-CD1 3.82Å; I334-F591 HydrophobicContact CD1-CD2 3.82Å; I334-F591 HydrophobicContact CD1-CE1 4.26Å; I334-F591 HydrophobicContact CD1-CE2 4.25Å; I334-F591 HydrophobicContact CD1-CG 3.59Å; I334-F591 HydrophobicContact CD1-CZ 4.46Å |
| 335 | A | 78.8 | Confident | 80.8 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 21% | 0.207 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M331 R332 T333 F338 N585 | M331-A335 WeakPolarHBondContact O-CB 3.45Å; M331-A335 PolarHBondContact O-N 2.69Å; R332-A335 PolarHBondContact O-N 3.1Å; T333-A335 VanDerWaalsContact C-N 3.28Å; T333-A335 PolarHBondContact O-N 2.84Å; A335-F338 WeakPolarHBondContact O-CB 3.06Å; A335-F338 PolarHBondContact O-N 2.72Å; A335-N585 WeakPolarHBondContact CB-ND2 3.37Å |
| 336 | N | 80.2 | Confident | 80.5 | Confident | 97 Ų | 97 | 46.5 Ų | 46.5 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 177.6 | -71.3 | -13.5 | 0 | 0 | 0 | 111.8 | R332 T333 F338 Q339 K340 | R332-N336 VanDerWaalsContact O-CG 3.24Å; R332-N336 PolarHBondContact O-N 3.26Å; T333-N336 PolarHBondContact O-N 3.13Å; N336-F338 VanDerWaalsContact C-N 3.26Å; N336-F338 PolarHBondContact O-N 2.83Å; N336-Q339 WeakPolarHBondContact O-CB 3.23Å; N336-Q339 PolarHBondContact O-N 3.16Å; N336-K340 PolarHBondContact O-N 3.2Å |
| 337 | E | 79.4 | Confident | 80.4 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -26.8 | 179 | -78.2 | -71.2 | 164.1 | 0 | 0 | 113.3 | T333 Q339 K340 I341 | T333-E337 PolarHBondContact O-N 2.83Å; E337-Q339 VanDerWaalsContact C-N 3.3Å; E337-Q339 PolarHBondContact O-N 3.19Å; E337-K340 PolarHBondContact O-N 3.13Å; E337-K340 IonicContact OE1-NZ 3.57Å; E337-K340 PolarHBondContact OE1-NZ 2.77Å; E337-K340 IonicContact OE2-NZ 3.4Å; E337-K340 PolarHBondContact OE2-NZ 3.13Å; E337-I341 WeakPolarHBondContact O-CB 3.48Å; E337-I341 WeakPolarHBondContact O-CD1 3.41Å; E337-I341 VanDerWaalsContact O-CG1 3.23Å; E337-I341 WeakPolarHBondContact O-CG1 3.46Å; E337-I341 PolarHBondContact O-N 3.28Å |
| 338 | F | 81.4 | Confident | 79.7 | Confident | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.8 | -43.5 | 168.9 | -170.4 | -125.2 | 0 | 0 | 0 | 112.2 | I334 A335 N336 I341 L342 F361 H586 M587 L931 L934 | I334-F338 PolarHBondContact O-N 3.29Å; A335-F338 WeakPolarHBondContact O-CB 3.06Å; A335-F338 PolarHBondContact O-N 2.72Å; N336-F338 VanDerWaalsContact C-N 3.26Å; N336-F338 PolarHBondContact O-N 2.83Å; F338-I341 PolarHBondContact O-N 3.14Å; F338-L342 HydrophobicContact CD1-CD1 3.88Å; F338-L342 HydrophobicContact CE1-CD1 3.53Å; F338-L342 HydrophobicContact CE1-CG 4.41Å; F338-L342 HydrophobicContact CE2-CD1 4.34Å; F338-L342 HydrophobicContact CE2-CG 4.4Å; F338-L342 HydrophobicContact CG-CD1 4.44Å; F338-L342 HydrophobicContact CZ-CD1 3.79Å; F338-L342 HydrophobicContact CZ-CG 4.28Å; F338-L342 WeakPolarHBondContact O-CB 3.37Å; F338-L342 WeakPolarHBondContact O-CG 3.46Å; F338-L342 PolarHBondContact O-N 2.84Å; F338-F361 HydrophobicContact CZ-CB 4.43Å; F338-F361 HydrophobicContact CZ-CD1 4.38Å; F338-H586 HydrophobicContact CE2-CB 4.49Å; F338-H586 HydrophobicContact CZ-CB 4.42Å; F338-M587 HydrophobicContact CB-CB 4.32Å; F338-M587 HydrophobicContact CB-CG 3.55Å; F338-M587 HydrophobicContact CD2-CG 3.49Å; F338-M587 VanDerWaalsContact CD2-CG 3.49Å; F338-M587 HydrophobicContact CD2-SD 4.26Å; F338-M587 HydrophobicContact CE2-CG 4.49Å; F338-M587 HydrophobicContact CG-CG 3.81Å; F338-L931 HydrophobicContact CE2-CD2 3.75Å; F338-L934 HydrophobicContact CD2-CD2 4.44Å; F338-L934 HydrophobicContact CE2-CD2 3.73Å; F338-L934 HydrophobicContact CZ-CD2 4.49Å |
| 339 | Q | 79.7 | Confident | 78.9 | Confident | 121 Ų | 121 | 49.9 Ų | 49.9 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -69 | -39.5 | -179.7 | -60.4 | -63 | -11.2 | 0 | 0 | 111.2 | N336 E337 L342 Q343 | N336-Q339 WeakPolarHBondContact O-CB 3.23Å; N336-Q339 PolarHBondContact O-N 3.16Å; E337-Q339 VanDerWaalsContact C-N 3.3Å; E337-Q339 PolarHBondContact O-N 3.19Å; Q339-L342 PolarHBondContact O-N 3.4Å; Q339-Q343 VanDerWaalsContact O-CB 3.26Å; Q339-Q343 WeakPolarHBondContact O-CB 3.42Å; Q339-Q343 PolarHBondContact O-N 2.98Å |
| 340 | K | 81.7 | Confident | 78.2 | Confident | 82 Ų | 82 | 52 Ų | 52 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 173.4 | 171.1 | 159.2 | 154.5 | -95.5 | 0 | 112.2 | N336 E337 L342 Q343 V344 | N336-K340 PolarHBondContact O-N 3.2Å; E337-K340 PolarHBondContact O-N 3.13Å; E337-K340 IonicContact OE1-NZ 3.57Å; E337-K340 PolarHBondContact OE1-NZ 2.77Å; E337-K340 IonicContact OE2-NZ 3.4Å; E337-K340 PolarHBondContact OE2-NZ 3.13Å; K340-L342 PolarHBondContact O-N 3.3Å; K340-Q343 PolarHBondContact O-N 2.83Å; K340-V344 WeakPolarHBondContact O-CG2 3.49Å; K340-V344 PolarHBondContact O-N 2.95Å |
| 341 | I | 82.8 | Confident | 76.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 175.1 | -71.8 | 165.4 | 0 | 0 | 0 | 111.2 | I214 E337 F338 T345 M587 L934 Y938 | I214-I341 HydrophobicContact CG2-CD1 3.87Å; E337-I341 WeakPolarHBondContact O-CB 3.48Å; E337-I341 WeakPolarHBondContact O-CD1 3.41Å; E337-I341 VanDerWaalsContact O-CG1 3.23Å; E337-I341 WeakPolarHBondContact O-CG1 3.46Å; E337-I341 PolarHBondContact O-N 3.28Å; F338-I341 PolarHBondContact O-N 3.14Å; I341-T345 VanDerWaalsContact O-CB 3.3Å; I341-T345 WeakPolarHBondContact O-CB 3.36Å; I341-T345 PolarHBondContact O-N 3.19Å; I341-T345 PolarHBondContact O-OG1 2.87Å; I341-M587 HydrophobicContact CD1-CE 4.29Å; I341-L934 HydrophobicContact CG2-CD1 4.13Å; I341-L934 HydrophobicContact CG2-CD2 4.06Å; I341-L934 HydrophobicContact CG2-CG 3.81Å; I341-Y938 HydrophobicContact CB-CD2 4.22Å; I341-Y938 HydrophobicContact CB-CE2 4.42Å; I341-Y938 HydrophobicContact CB-CG 4.46Å; I341-Y938 HydrophobicContact CG1-CD1 4.16Å; I341-Y938 HydrophobicContact CG1-CD2 4.08Å; I341-Y938 HydrophobicContact CG1-CE1 4.02Å; I341-Y938 HydrophobicContact CG1-CE2 3.94Å; I341-Y938 HydrophobicContact CG1-CG 4.18Å; I341-Y938 HydrophobicContact CG2-CD2 4.14Å; I341-Y938 HydrophobicContact CG2-CG 4.01Å |
| 342 | L | 80.6 | Confident | 75.2 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 174.7 | -76.9 | 173.6 | 0 | 0 | 0 | 111.9 | F338 Q339 K340 V344 T345 L346 I357 F361 L934 | F338-L342 HydrophobicContact CD1-CD1 3.88Å; F338-L342 HydrophobicContact CE1-CD1 3.53Å; F338-L342 HydrophobicContact CE1-CG 4.41Å; F338-L342 HydrophobicContact CE2-CD1 4.34Å; F338-L342 HydrophobicContact CE2-CG 4.4Å; F338-L342 HydrophobicContact CG-CD1 4.44Å; F338-L342 HydrophobicContact CZ-CD1 3.79Å; F338-L342 HydrophobicContact CZ-CG 4.28Å; F338-L342 WeakPolarHBondContact O-CB 3.37Å; F338-L342 WeakPolarHBondContact O-CG 3.46Å; F338-L342 PolarHBondContact O-N 2.84Å; Q339-L342 PolarHBondContact O-N 3.4Å; K340-L342 PolarHBondContact O-N 3.3Å; L342-V344 PolarHBondContact O-N 3.35Å; L342-T345 CarbonylContact O-C 3.58Å; L342-T345 PolarHBondContact O-N 3.43Å; L342-L346 VanDerWaalsContact O-CB 3.3Å; L342-L346 WeakPolarHBondContact O-CB 3.38Å; L342-L346 WeakPolarHBondContact O-CG 3.42Å; L342-L346 PolarHBondContact O-N 3.19Å; L342-I357 HydrophobicContact CD2-CG2 4.29Å; L342-F361 HydrophobicContact CD1-CB 4.17Å; L342-F361 HydrophobicContact CD2-CB 3.59Å; L342-F361 HydrophobicContact CD2-CD2 3.7Å; L342-F361 HydrophobicContact CD2-CG 3.76Å; L342-L934 HydrophobicContact CD2-CD1 3.94Å; L342-L934 HydrophobicContact CD2-CD2 3.77Å; L342-L934 HydrophobicContact CG-CD2 4.29Å |
| 343 | Q | 80.4 | Confident | 74.1 | Confident | 141 Ų | 141 | 52 Ų | 52 | 66% | 0.659 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.2 | -46.6 | -178.3 | -172.8 | -179.4 | 11.6 | 0 | 0 | 111.9 | Q339 K340 L346 S347 | Q339-Q343 VanDerWaalsContact O-CB 3.26Å; Q339-Q343 WeakPolarHBondContact O-CB 3.42Å; Q339-Q343 PolarHBondContact O-N 2.98Å; K340-Q343 PolarHBondContact O-N 2.83Å; Q343-L346 PolarHBondContact O-N 2.78Å; Q343-S347 PolarHBondContact O-N 3.19Å; Q343-S347 PolarHBondContact O-OG 3.41Å |
| 344 | V | 80 | Confident | 73.2 | Confident | 41 Ų | 41 | 54 Ų | 54 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 176 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | K340 L342 L346 S347 N348 Y938 | K340-V344 WeakPolarHBondContact O-CG2 3.49Å; K340-V344 PolarHBondContact O-N 2.95Å; L342-V344 PolarHBondContact O-N 3.35Å; V344-L346 VanDerWaalsContact C-N 3.31Å; V344-S347 PolarHBondContact O-OG 2.92Å; V344-S347 VanDerWaalsContact O-OG 3.11Å; V344-N348 WeakPolarHBondContact O-CB 3.34Å; V344-N348 PolarHBondContact O-N 3.1Å; V344-N348 PolarHBondContact O-ND2 2.96Å; V344-Y938 HydrophobicContact CB-CD2 4.11Å; V344-Y938 HydrophobicContact CB-CE2 4.04Å; V344-Y938 HydrophobicContact CG1-CD2 4.01Å; V344-Y938 HydrophobicContact CG1-CE2 4.05Å; V344-Y938 HydrophobicContact CG2-CE2 4.37Å |
| 345 | T | 78.6 | Confident | 72.1 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.1 | -27.4 | 176.7 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | I341 L342 A349 I357 L934 R937 | I341-T345 VanDerWaalsContact O-CB 3.3Å; I341-T345 WeakPolarHBondContact O-CB 3.36Å; I341-T345 PolarHBondContact O-N 3.19Å; I341-T345 PolarHBondContact O-OG1 2.87Å; L342-T345 CarbonylContact O-C 3.58Å; L342-T345 PolarHBondContact O-N 3.43Å; T345-A349 WeakPolarHBondContact O-CB 3.35Å; T345-A349 PolarHBondContact O-N 3.3Å; T345-I357 HydrophobicContact CG2-CD1 4.18Å; T345-L934 HydrophobicContact CG2-CD1 3.88Å; T345-R937 HydrophobicContact CG2-CB 3.71Å |
| 346 | L | 77 | Confident | 71.4 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -78 | -45.2 | 175.6 | -75.6 | 169.5 | 0 | 0 | 0 | 112 | L342 Q343 V344 N348 A349 Q354 I357 K358 | L342-L346 VanDerWaalsContact O-CB 3.3Å; L342-L346 WeakPolarHBondContact O-CB 3.38Å; L342-L346 WeakPolarHBondContact O-CG 3.42Å; L342-L346 PolarHBondContact O-N 3.19Å; Q343-L346 PolarHBondContact O-N 2.78Å; V344-L346 VanDerWaalsContact C-N 3.31Å; L346-N348 VanDerWaalsContact C-N 3.29Å; L346-N348 PolarHBondContact O-N 2.88Å; L346-A349 WeakPolarHBondContact O-CB 3.39Å; L346-A349 PolarHBondContact O-N 3.2Å; L346-Q354 HydrophobicContact CD2-CB 3.89Å; L346-Q354 HydrophobicContact CD2-CG 4.12Å; L346-Q354 VanDerWaalsContact O-CG 3.25Å; L346-Q354 WeakPolarHBondContact O-CG 3.17Å; L346-Q354 PolarHBondContact O-NE2 3.34Å; L346-I357 HydrophobicContact CD2-CB 3.68Å; L346-I357 HydrophobicContact CD2-CD1 4.47Å; L346-I357 HydrophobicContact CD2-CG2 3.54Å; L346-I357 HydrophobicContact CG-CG2 3.94Å; L346-K358 HydrophobicContact CD1-CG 4.13Å; L346-K358 HydrophobicContact CD2-CG 3.93Å |
| 347 | S | 76.1 | Confident | 70.7 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 58% | 0.58 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.1 | -39.7 | 178.7 | 60.7 | 0 | 0 | 0 | 0 | 112 | Q343 V344 A349 | Q343-S347 PolarHBondContact O-N 3.19Å; Q343-S347 PolarHBondContact O-OG 3.41Å; V344-S347 PolarHBondContact O-OG 2.92Å; V344-S347 VanDerWaalsContact O-OG 3.11Å; S347-A349 VanDerWaalsContact C-N 3.28Å; S347-A349 PolarHBondContact O-N 2.97Å |
| 348 | N | 69.1 | Low | 70.1 | Confident | 102 Ų | 102 | 56.9 Ų | 56.9 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1.1 | 176.2 | -66.6 | -50.9 | 0 | 0 | 0 | 114 | V344 L346 | V344-N348 WeakPolarHBondContact O-CB 3.34Å; V344-N348 PolarHBondContact O-N 3.1Å; V344-N348 PolarHBondContact O-ND2 2.96Å; L346-N348 VanDerWaalsContact C-N 3.29Å; L346-N348 PolarHBondContact O-N 2.88Å |
| 349 | A | 61.8 | Low | 69.4 | Low | 11 Ų | 11 | 58 Ų | 58 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -96.9 | 136.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T345 L346 S347 R353 Q354 I357 | T345-A349 WeakPolarHBondContact O-CB 3.35Å; T345-A349 PolarHBondContact O-N 3.3Å; L346-A349 WeakPolarHBondContact O-CB 3.39Å; L346-A349 PolarHBondContact O-N 3.2Å; S347-A349 VanDerWaalsContact C-N 3.28Å; S347-A349 PolarHBondContact O-N 2.97Å; A349-R353 HydrophobicContact CB-CB 3.79Å; A349-Q354 HydrophobicContact CB-CG 3.99Å; A349-Q354 WeakPolarHBondContact O-CG 3.43Å; A349-Q354 PolarHBondContact O-NE2 2.79Å; A349-I357 HydrophobicContact CB-CD1 3.63Å |
| 350 | S | 63.1 | Low | 68.7 | Low | 60 Ų | 60 | 55.1 Ų | 55.1 | 42% | 0.42 | 29% | 0.294 | S | S | . | . | trans | -53.5 | 144.8 | 165.8 | 47.3 | 0 | 0 | 0 | 0 | 110.8 | R352 R353 Q354 | S350-R352 CarbonylContact O-C 3.51Å; S350-R352 PolarHBondContact O-N 3.3Å; S350-R353 CarbonylContact O-C 3.43Å; S350-R353 WeakPolarHBondContact O-CA 3.33Å; S350-R353 WeakPolarHBondContact O-CB 3.41Å; S350-R353 PolarHBondContact O-N 2.85Å; S350-Q354 PolarHBondContact O-N 2.94Å | ||
| 351 | S | 55 | Low | 68 | Low | 96 Ų | 96 | 52 Ų | 52 | 67% | 0.671 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -51.8 | -29.9 | -169.6 | -28.4 | 0 | 0 | 0 | 0 | 114 | Q354 A355 | S351-Q354 WeakPolarHBondContact O-CB 3.44Å; S351-Q354 PolarHBondContact O-N 3.09Å; S351-A355 PolarHBondContact O-N 2.76Å |
| 352 | R | 47.5 | Very low | 67.1 | Low | 56 Ų | 56 | 53.6 Ų | 53.6 | 21% | 0.211 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.7 | -37.4 | 173.7 | -174.2 | 176.1 | 173.7 | -138.3 | 1.6 | 114.4 | D72 Y73 S350 Q354 A355 E356 | D72-R352 PolarHBondContact O-NH1 2.8Å; Y73-R352 PolarHBondContact O-NH1 3.41Å; Y73-R352 PolarHBondContact O-NH2 2.95Å; S350-R352 CarbonylContact O-C 3.51Å; S350-R352 PolarHBondContact O-N 3.3Å; R352-Q354 VanDerWaalsContact C-N 3.27Å; R352-A355 PolarHBondContact O-N 3.32Å; R352-E356 PolarHBondContact O-N 3.31Å |
| 353 | R | 56.8 | Low | 65.9 | Low | 61 Ų | 61 | 56.4 Ų | 56.4 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.3 | -29.7 | 167.9 | -86.4 | -175.3 | 176.5 | 138.5 | 4.4 | 110.9 | E77 A349 S350 A355 E356 I357 | E77-R353 VanDerWaalsContact CD-NH1 3.28Å; E77-R353 IonicContact OE1-CZ 2.68Å; E77-R353 IonicContact OE1-NH1 2.69Å; E77-R353 PolarHBondContact OE1-NH1 3.41Å; E77-R353 IonicContact OE1-NH2 3.8Å; E77-R353 IonicContact OE2-CZ 2.84Å; E77-R353 VanDerWaalsContact OE2-CZ 3.26Å; E77-R353 IonicContact OE2-NH1 2.99Å; E77-R353 PolarHBondContact OE2-NH1 2.99Å; E77-R353 IonicContact OE2-NH2 2.72Å; E77-R353 PolarHBondContact OE2-NH2 3Å; A349-R353 HydrophobicContact CB-CB 3.79Å; S350-R353 CarbonylContact O-C 3.43Å; S350-R353 WeakPolarHBondContact O-CA 3.33Å; S350-R353 WeakPolarHBondContact O-CB 3.41Å; S350-R353 PolarHBondContact O-N 2.85Å; R353-A355 VanDerWaalsContact C-N 3.33Å; R353-A355 PolarHBondContact O-N 2.97Å; R353-E356 WeakPolarHBondContact O-CB 3.38Å; R353-E356 PolarHBondContact O-N 3.35Å; R353-I357 HydrophobicContact CB-CD1 4.25Å; R353-I357 WeakPolarHBondContact O-CB 3.43Å; R353-I357 VanDerWaalsContact O-CD1 3.31Å; R353-I357 WeakPolarHBondContact O-CD1 3.34Å; R353-I357 WeakPolarHBondContact O-CG1 3.45Å; R353-I357 PolarHBondContact O-N 3.48Å |
| 354 | Q | 64.5 | Low | 64.4 | Low | 60 Ų | 60 | 50.4 Ų | 50.4 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 173.8 | -63.7 | 176.7 | 0.6 | 0 | 0 | 111.6 | L346 A349 S350 S351 R352 I357 K358 | L346-Q354 HydrophobicContact CD2-CB 3.89Å; L346-Q354 HydrophobicContact CD2-CG 4.12Å; L346-Q354 VanDerWaalsContact O-CG 3.25Å; L346-Q354 WeakPolarHBondContact O-CG 3.17Å; L346-Q354 PolarHBondContact O-NE2 3.34Å; A349-Q354 HydrophobicContact CB-CG 3.99Å; A349-Q354 WeakPolarHBondContact O-CG 3.43Å; A349-Q354 PolarHBondContact O-NE2 2.79Å; S350-Q354 PolarHBondContact O-N 2.94Å; S351-Q354 WeakPolarHBondContact O-CB 3.44Å; S351-Q354 PolarHBondContact O-N 3.09Å; R352-Q354 VanDerWaalsContact C-N 3.27Å; Q354-I357 PolarHBondContact O-N 3.37Å; Q354-K358 VanDerWaalsContact O-CB 3.3Å; Q354-K358 WeakPolarHBondContact O-CB 3.39Å; Q354-K358 WeakPolarHBondContact O-CG 3.36Å; Q354-K358 PolarHBondContact O-N 2.85Å |
| 355 | A | 60.2 | Low | 63.1 | Low | 55 Ų | 55 | 50.5 Ų | 50.5 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | S351 R352 R353 L359 | S351-A355 PolarHBondContact O-N 2.76Å; R352-A355 PolarHBondContact O-N 3.32Å; R353-A355 VanDerWaalsContact C-N 3.33Å; R353-A355 PolarHBondContact O-N 2.97Å; A355-L359 WeakPolarHBondContact O-CB 3.42Å; A355-L359 PolarHBondContact O-N 3.41Å |
| 356 | E | 63 | Low | 61.6 | Low | 73 Ų | 73 | 56.1 Ų | 56.1 | 34% | 0.341 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 173.7 | 177 | -157.4 | 126.3 | 0 | 0 | 112.1 | R352 R353 R360 R937 | R352-E356 PolarHBondContact O-N 3.31Å; R353-E356 WeakPolarHBondContact O-CB 3.38Å; R353-E356 PolarHBondContact O-N 3.35Å; E356-R360 VanDerWaalsContact O-CB 3.3Å; E356-R360 WeakPolarHBondContact O-CB 3.26Å; E356-R360 PolarHBondContact O-N 3.23Å; E356-R360 VanDerWaalsContact O-N 3.08Å; E356-R937 IonicContact OE1-CZ 2.79Å; E356-R937 IonicContact OE1-NH1 2.77Å; E356-R937 PolarHBondContact OE1-NH1 3.11Å; E356-R937 VanDerWaalsContact OE1-NH1 3.15Å; E356-R937 IonicContact OE1-NH2 3.63Å; E356-R937 PolarHBondContact OE1-NH2 3.34Å |
| 357 | I | 66.2 | Low | 60.4 | Low | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.9 | -47.5 | -177.5 | -67.1 | 159 | 0 | 0 | 0 | 110.3 | L342 T345 L346 A349 R353 Q354 R360 F361 R937 | L342-I357 HydrophobicContact CD2-CG2 4.29Å; T345-I357 HydrophobicContact CG2-CD1 4.18Å; L346-I357 HydrophobicContact CD2-CB 3.68Å; L346-I357 HydrophobicContact CD2-CD1 4.47Å; L346-I357 HydrophobicContact CD2-CG2 3.54Å; L346-I357 HydrophobicContact CG-CG2 3.94Å; A349-I357 HydrophobicContact CB-CD1 3.63Å; R353-I357 HydrophobicContact CB-CD1 4.25Å; R353-I357 WeakPolarHBondContact O-CB 3.43Å; R353-I357 VanDerWaalsContact O-CD1 3.31Å; R353-I357 WeakPolarHBondContact O-CD1 3.34Å; R353-I357 WeakPolarHBondContact O-CG1 3.45Å; R353-I357 PolarHBondContact O-N 3.48Å; Q354-I357 PolarHBondContact O-N 3.37Å; I357-R360 PolarHBondContact O-N 2.65Å; I357-F361 HydrophobicContact CG2-CD2 3.91Å; I357-F361 HydrophobicContact CG2-CE2 4.33Å; I357-F361 VanDerWaalsContact O-CD2 3.25Å; I357-F361 WeakPolarHBondContact O-CD2 3.39Å; I357-F361 PolarHBondContact O-N 3.36Å; I357-F361 VanDerWaalsContact O-N 3.09Å; I357-R937 VanDerWaalsContact CG1-NH1 3.28Å |
| 358 | K | 67.7 | Low | 58.9 | Low | 89 Ų | 89 | 61 Ų | 61 | 39% | 0.387 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -53.8 | -57.9 | 173 | -76 | -173.7 | 178.5 | -170.4 | 0 | 109.5 | L346 Q354 R360 F361 S362 | L346-K358 HydrophobicContact CD1-CG 4.13Å; L346-K358 HydrophobicContact CD2-CG 3.93Å; Q354-K358 VanDerWaalsContact O-CB 3.3Å; Q354-K358 WeakPolarHBondContact O-CB 3.39Å; Q354-K358 WeakPolarHBondContact O-CG 3.36Å; Q354-K358 PolarHBondContact O-N 2.85Å; K358-R360 VanDerWaalsContact C-N 3.26Å; K358-R360 PolarHBondContact O-N 3.16Å; K358-R360 VanDerWaalsContact O-N 3.14Å; K358-F361 CarbonylContact O-C 3.51Å; K358-F361 PolarHBondContact O-N 3.4Å; K358-F361 VanDerWaalsContact O-N 3.12Å; K358-S362 WeakPolarHBondContact O-CA 3.45Å; K358-S362 WeakPolarHBondContact O-CB 3.41Å; K358-S362 PolarHBondContact O-N 3Å; K358-S362 PolarHBondContact O-OG 3.27Å |
| 359 | L | 65 | Low | 58 | Low | 34 Ų | 34 | 59.8 Ų | 59.8 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.4 | -37.5 | -179.2 | 176.5 | 60.2 | 0 | 0 | 0 | 114 | A355 Q771 P799 L897 I901 | A355-L359 WeakPolarHBondContact O-CB 3.42Å; A355-L359 PolarHBondContact O-N 3.41Å; L359-Q771 PolarHBondContact O-NE2 2.79Å; L359-P799 HydrophobicContact CD1-CG 3.52Å; L359-P799 HydrophobicContact CD2-CG 3.9Å; L359-P799 HydrophobicContact CG-CG 4.37Å; L359-L897 HydrophobicContact CD1-CD2 4.44Å; L359-I901 HydrophobicContact CD1-CD1 3.7Å |
| 360 | R | 64.9 | Low | 57.4 | Low | 61 Ų | 61 | 60.8 Ų | 60.8 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.9 | -30.4 | -178.5 | -169.8 | 179.6 | -171.5 | 84.2 | 16.8 | 113.7 | E356 I357 K358 E770 | E356-R360 VanDerWaalsContact O-CB 3.3Å; E356-R360 WeakPolarHBondContact O-CB 3.26Å; E356-R360 PolarHBondContact O-N 3.23Å; E356-R360 VanDerWaalsContact O-N 3.08Å; I357-R360 PolarHBondContact O-N 2.65Å; K358-R360 VanDerWaalsContact C-N 3.26Å; K358-R360 PolarHBondContact O-N 3.16Å; K358-R360 VanDerWaalsContact O-N 3.14Å; R360-E770 VanDerWaalsContact CZ-O 3.24Å; R360-E770 PolarHBondContact NH1-O 2.9Å; R360-E770 PolarHBondContact NH2-O 2.65Å; R360-E770 VanDerWaalsContact NH2-O 3.17Å |
| 361 | F | 68.7 | Low | 56.4 | Low | 17 Ų | 17 | 61.8 Ų | 61.8 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -120.5 | 2.5 | -172.8 | -57.6 | -68.1 | 0 | 0 | 0 | 114.3 | F338 L342 I357 K358 D363 H930 L934 | F338-F361 HydrophobicContact CZ-CB 4.43Å; F338-F361 HydrophobicContact CZ-CD1 4.38Å; L342-F361 HydrophobicContact CD1-CB 4.17Å; L342-F361 HydrophobicContact CD2-CB 3.59Å; L342-F361 HydrophobicContact CD2-CD2 3.7Å; L342-F361 HydrophobicContact CD2-CG 3.76Å; I357-F361 HydrophobicContact CG2-CD2 3.91Å; I357-F361 HydrophobicContact CG2-CE2 4.33Å; I357-F361 VanDerWaalsContact O-CD2 3.25Å; I357-F361 WeakPolarHBondContact O-CD2 3.39Å; I357-F361 PolarHBondContact O-N 3.36Å; I357-F361 VanDerWaalsContact O-N 3.09Å; K358-F361 CarbonylContact O-C 3.51Å; K358-F361 PolarHBondContact O-N 3.4Å; K358-F361 VanDerWaalsContact O-N 3.12Å; F361-D363 PolarHBondContact O-N 3.12Å; F361-H930 AromaticContact CD1-CD2 3.92Å; F361-H930 AromaticContact CD1-NE2 3.3Å; F361-H930 VanDerWaalsContact CD1-NE2 3.3Å; F361-H930 WeakPolarHBondContact CD1-NE2 3.4Å; F361-H930 AromaticContact CE1-CD2 3.57Å; F361-H930 AromaticContact CE1-NE2 3.4Å; F361-H930 WeakPolarHBondContact CE1-NE2 3.47Å; F361-L934 HydrophobicContact CD1-CD2 4.37Å; F361-L934 HydrophobicContact CE1-CB 4.36Å; F361-L934 HydrophobicContact CE1-CD2 4.19Å; F361-L934 HydrophobicContact CE2-CB 4.17Å; F361-L934 HydrophobicContact CE2-CD1 4.25Å; F361-L934 HydrophobicContact CE2-CD2 4.34Å; F361-L934 HydrophobicContact CE2-CG 4.49Å; F361-L934 HydrophobicContact CZ-CB 3.76Å; F361-L934 HydrophobicContact CZ-CD2 4.18Å; F361-L934 HydrophobicContact CZ-CG 4.42Å |
| 362 | S | 62 | Low | 55.7 | Low | 33 Ų | 33 | 61.5 Ų | 61.5 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -55 | 125.2 | 164.3 | -82.3 | 0 | 0 | 0 | 0 | 108.8 | K358 P364 | K358-S362 WeakPolarHBondContact O-CA 3.45Å; K358-S362 WeakPolarHBondContact O-CB 3.41Å; K358-S362 PolarHBondContact O-N 3Å; K358-S362 PolarHBondContact O-OG 3.27Å; S362-P364 VanDerWaalsContact O-CD 3.3Å; S362-P364 WeakPolarHBondContact O-CD 3.41Å |
| 363 | D | 55.8 | Low | 54.9 | Low | 73 Ų | 73 | 64 Ų | 64 | 39% | 0.39 | 36% | 0.357 | S | S | . | . | trans | -66.5 | 115 | 173.3 | -161.4 | -34.2 | 0 | 0 | 0 | 108.6 | F361 H365 | F361-D363 PolarHBondContact O-N 3.12Å; D363-H365 PolarHBondContact O-N 2.78Å; D363-H365 IonicContact OD1-CE1 3.59Å; D363-H365 PolarHBondContact OD1-CE1 2.79Å; D363-H365 IonicContact OD1-CG 2.73Å; D363-H365 PolarHBondContact OD1-N 3.07Å; D363-H365 IonicContact OD1-ND1 2.64Å; D363-H365 PolarHBondContact OD1-ND1 3.46Å | ||
| 364 | P | 49.3 | Very low | 53.5 | Low | 14 Ų | 14 | 70.7 Ų | 70.7 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | trans | -83.9 | 1.2 | -168.6 | 36.4 | -37.7 | 0 | 0 | 0 | 112.8 | S362 H773 W796 I901 | S362-P364 VanDerWaalsContact O-CD 3.3Å; S362-P364 WeakPolarHBondContact O-CD 3.41Å; P364-H773 HydrophobicContact CG-CB 4.39Å; P364-W796 HydrophobicContact CB-CD2 3.89Å; P364-W796 HydrophobicContact CB-CE3 3.99Å; P364-W796 HydrophobicContact CB-CH2 3.72Å; P364-W796 HydrophobicContact CB-CZ2 3.6Å; P364-W796 HydrophobicContact CB-CZ3 3.89Å; P364-W796 HydrophobicContact CG-CD2 4.23Å; P364-W796 HydrophobicContact CG-CH2 4.23Å; P364-W796 HydrophobicContact CG-CZ2 3.61Å; P364-W796 WeakPolarHBondContact O-CH2 3.28Å; P364-I901 HydrophobicContact CB-CG2 3.97Å | ||
| 365 | H | 52.9 | Low | 51.7 | Low | 43 Ų | 43 | 70.7 Ų | 70.7 | 20% | 0.199 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -140.7 | 131.6 | -177.1 | 71 | -18.7 | 0 | 0 | 0 | 113.1 | D363 C367 H773 | D363-H365 PolarHBondContact O-N 2.78Å; D363-H365 IonicContact OD1-CE1 3.59Å; D363-H365 PolarHBondContact OD1-CE1 2.79Å; D363-H365 IonicContact OD1-CG 2.73Å; D363-H365 PolarHBondContact OD1-N 3.07Å; D363-H365 IonicContact OD1-ND1 2.64Å; D363-H365 PolarHBondContact OD1-ND1 3.46Å; H365-C367 WeakPolarHBondContact NE2-CB 3.38Å; H365-C367 PolarHBondContact O-N 2.77Å; H365-H773 AromaticContact CD2-CE1 3.77Å; H365-H773 AromaticContact CE1-CE1 2.93Å; H365-H773 PolarHBondContact CE1-CE1 2.89Å; H365-H773 AromaticContact CE1-NE2 3.72Å; H365-H773 AromaticContact ND1-CE1 3.92Å; H365-H773 AromaticContact NE2-CE1 2.77Å; H365-H773 PolarHBondContact NE2-CE1 3.05Å |
| 366 | S | 47.7 | Very low | 50.1 | Low | 125 Ų | 125 | 77.9 Ų | 77.9 | 87% | 0.874 | 42% | 0.422 | S | S | * | . | trans | -79.4 | 72.2 | 171.5 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 367 | C | 51 | Low | 48.3 | Very low | 33 Ų | 33 | 81.2 Ų | 81.2 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | trans | -89.6 | 139.3 | -179.2 | -173 | 0 | 0 | 0 | 0 | 111.9 | H365 L369 C370 T371 | H365-C367 WeakPolarHBondContact NE2-CB 3.38Å; H365-C367 PolarHBondContact O-N 2.77Å; C367-L369 PolarHBondContact O-N 3.1Å; C367-C370 PolarHBondContact O-N 3.05Å; C367-T371 PolarHBondContact O-N 3.25Å; C367-T371 VanDerWaalsContact O-N 3.07Å; C367-T371 PolarHBondContact O-OG1 3.36Å | ||
| 368 | Q | 44.7 | Very low | 46.4 | Very low | 182 Ų | 182 | 87.1 Ų | 87.1 | 85% | 0.85 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.7 | 173.1 | -73 | -176.7 | -23.1 | 0 | 0 | 113.4 | ||
| 369 | L | 50.6 | Low | 44.7 | Very low | 78 Ų | 78 | 89.5 Ų | 89.5 | 41% | 0.408 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -8.9 | 177.7 | -57.7 | 171 | 0 | 0 | 0 | 113.9 | C367 P582 C584 | C367-L369 PolarHBondContact O-N 3.1Å; L369-P582 HydrophobicContact CD1-CB 4.32Å; L369-P582 HydrophobicContact CD1-CG 4.2Å; L369-C584 VanDerWaalsContact C-SG 3.55Å |
| 370 | C | 48.1 | Very low | 43 | Very low | 31 Ų | 31 | 90.6 Ų | 90.6 | 21% | 0.209 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -13.5 | -179.5 | -82.5 | 0 | 0 | 0 | 0 | 113.8 | C367 C584 | C367-C370 PolarHBondContact O-N 3.05Å; C370-C584 WeakPolarHBondContact CB-SG 3.29Å; C370-C584 VanDerWaalsContact SG-C 3.5Å; C370-C584 WeakPolarHBondContact SG-CB 3.3Å; C370-C584 CovalentContact SG-SG 2.04Å; C370-C584 PolarHBondContact SG-SG 3.49Å |
| 371 | T | 43.9 | Very low | 41.1 | Very low | 82 Ų | 82 | 96.1 Ų | 96.1 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -72.3 | 125.3 | 166.1 | 34.2 | 0 | 0 | 0 | 0 | 111.9 | C367 S373 | C367-T371 PolarHBondContact O-N 3.25Å; C367-T371 VanDerWaalsContact O-N 3.07Å; C367-T371 PolarHBondContact O-OG1 3.36Å; T371-S373 PolarHBondContact O-N 3.29Å |
| 372 | P | 38.5 | Very low | 39.3 | Very low | 90 Ų | 90 | 102.1 Ų | 102.1 | 58% | 0.584 | 59% | 0.593 | S | S | * | * | trans | -70.9 | 126.5 | 167.3 | 29 | -32.2 | 0 | 0 | 0 | 109.9 | F374 | P372-F374 VanDerWaalsContact C-N 3.28Å; P372-F374 HydrophobicContact CB-CD2 4.21Å; P372-F374 HydrophobicContact CB-CE2 4.1Å; P372-F374 HydrophobicContact CG-CD2 3.99Å; P372-F374 HydrophobicContact CG-CE2 3.81Å; P372-F374 PolarHBondContact O-N 3.16Å | ||
| 373 | S | 30.9 | Very low | 37.8 | Very low | 108 Ų | 108 | 105.4 Ų | 105.4 | 76% | 0.755 | 62% | 0.616 | S | S | * | * | trans | -72.5 | 76.7 | 179.1 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | T371 G375 | T371-S373 PolarHBondContact O-N 3.29Å; S373-G375 VanDerWaalsContact C-N 3.25Å; S373-G375 PolarHBondContact O-N 3.49Å | ||
| 374 | F | 27.9 | Very low | 36.6 | Very low | 202 Ų | 202 | 107.6 Ų | 107.6 | 89% | 0.886 | 64% | 0.637 | S | S | * | * | trans | -69.3 | 84.1 | 161.6 | -75.9 | -83 | 0 | 0 | 0 | 109 | P372 | P372-F374 VanDerWaalsContact C-N 3.28Å; P372-F374 HydrophobicContact CB-CD2 4.21Å; P372-F374 HydrophobicContact CB-CE2 4.1Å; P372-F374 HydrophobicContact CG-CD2 3.99Å; P372-F374 HydrophobicContact CG-CE2 3.81Å; P372-F374 PolarHBondContact O-N 3.16Å | ||
| 375 | G | 26.3 | Very low | 35.7 | Very low | 60 Ų | 60 | 110.6 Ų | 110.6 | 62% | 0.619 | 67% | 0.671 | S | S | * | * | trans | 175.3 | 54.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S373 | S373-G375 VanDerWaalsContact C-N 3.25Å; S373-G375 PolarHBondContact O-N 3.49Å | ||
| 376 | Y | 27.2 | Very low | 34.8 | Very low | 206 Ų | 206 | 114.7 Ų | 114.7 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | trans | -134.1 | 98.3 | 160.6 | -92.6 | -82 | 0 | 0 | 0 | 108.7 | ||||
| 377 | D | 26.1 | Very low | 34 | Very low | 143 Ų | 143 | 114 Ų | 114 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | trans | -69.2 | 137.4 | 166.6 | -71 | -59.3 | 0 | 0 | 0 | 109.5 | V379 | D377-V379 PolarHBondContact O-N 3.07Š| ||
| 378 | P | 26.2 | Very low | 32.9 | Very low | 126 Ų | 126 | 118.3 Ų | 118.3 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -71.4 | 93.4 | 172.1 | 29.5 | -33 | 0 | 0 | 0 | 109.4 | G380 | P378-G380 PolarHBondContact O-N 3.33Å; P378-G380 VanDerWaalsContact O-N 3.1Å | ||
| 379 | V | 31 | Very low | 32.2 | Very low | 138 Ų | 138 | 113.7 Ų | 113.7 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | trans | -62.7 | 112.5 | -177.7 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | D377 | D377-V379 PolarHBondContact O-N 3.07Š| ||
| 380 | G | 28.9 | Very low | 31.2 | Very low | 58 Ų | 58 | 115.9 Ų | 115.9 | 60% | 0.598 | 75% | 0.75 | S | S | * | * | trans | -65.5 | 144 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P378 T382 | P378-G380 PolarHBondContact O-N 3.33Å; P378-G380 VanDerWaalsContact O-N 3.1Å; G380-T382 PolarHBondContact O-N 2.79Å | ||
| 381 | L | 26.2 | Very low | 29.9 | Very low | 176 Ų | 176 | 119.7 Ų | 119.7 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -61 | 110.2 | 177.2 | -69.1 | 163.3 | 0 | 0 | 0 | 112.2 | ||||
| 382 | T | 30.8 | Very low | 29 | Very low | 144 Ų | 144 | 121.4 Ų | 121.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -138.4 | 160.6 | 158.8 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | G380 | G380-T382 PolarHBondContact O-N 2.79Š| ||
| 383 | S | 29.9 | Very low | 28.3 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -109.2 | 143.4 | -155.8 | 55.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 384 | S | 30.8 | Very low | 28 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 57.8 | 122.7 | 144.3 | 63.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 385 | G | 30.2 | Very low | 27.8 | Very low | 78 Ų | 78 | 120.4 Ų | 120.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 154.8 | 106.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 386 | P | 33.7 | Very low | 27.9 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -110 | 138 | -175.9 | 36.6 | -29 | 0 | 0 | 0 | 114.7 | ||||
| 387 | S | 30.5 | Very low | 27.9 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 178.8 | 124.6 | 135.9 | 58 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 388 | S | 28 | Very low | 27.8 | Very low | 124 Ų | 124 | 120 Ų | 120 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | 34.4 | 122 | 143.3 | 61.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 389 | G | 29.8 | Very low | 27.9 | Very low | 85 Ų | 85 | 120.5 Ų | 120.5 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | trans | -170.9 | 137.8 | 157 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 390 | S | 29.3 | Very low | 27.7 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -110.4 | 162.8 | -173 | -162.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 391 | C | 22.2 | Very low | 27.8 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 151.7 | -173.1 | -55.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 392 | C | 23.9 | Very low | 27.7 | Very low | 117 Ų | 117 | 121.5 Ų | 121.5 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | 175.1 | 130.3 | 105.1 | -94.9 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 393 | V | 24.5 | Very low | 27.4 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | trans | 75.8 | 101 | 132 | -179.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 394 | L | 23.5 | Very low | 27.2 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | 73.8 | 138 | 131.9 | -70.1 | 179 | 0 | 0 | 0 | 125.5 | ||||
| 395 | T | 25 | Very low | 26.9 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | 88.8 | 113.2 | 139.5 | 41.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 396 | H | 27.1 | Very low | 26.6 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | 97.8 | 129.6 | 127.1 | -91.9 | -68 | 0 | 0 | 0 | 124 | |||||
| 397 | H | 27.3 | Very low | 26.3 | Very low | 164 Ų | 164 | 131 Ų | 131 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 71.2 | 143.9 | 158.9 | -63.8 | -63.7 | 0 | 0 | 0 | 119.7 | ||||
| 398 | S | 25.5 | Very low | 26 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 58% | 0.58 | 77% | 0.766 | S | S | * | * | cis | -161.9 | 176.8 | -13.5 | 49 | 0 | 0 | 0 | 0 | 113 | ||||
| 399 | D | 27.3 | Very low | 26 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 88.7 | 98.2 | 155.3 | -50.6 | -39.7 | 0 | 0 | 0 | 121.7 | ||||
| 400 | S | 26.2 | Very low | 25.8 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | 45.6 | 162.4 | 118.4 | -94.7 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 401 | P | 31.8 | Very low | 25.7 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | cis | -139.5 | 164.7 | -10.3 | 34.5 | -13.6 | 0 | 0 | 0 | 117.6 | ||||
| 402 | Q | 24.6 | Very low | 25.9 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | 50.6 | 118.5 | 140.3 | -67.6 | 178.1 | -47 | 0 | 0 | 124.7 | ||||
| 403 | S | 25.2 | Very low | 26.1 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | 90.2 | 156.2 | 120.6 | 75.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 404 | Y | 24.2 | Very low | 26.1 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | 66.6 | 142.4 | -174.5 | -62.2 | -91.7 | 0 | 0 | 0 | 114.1 | ||||
| 405 | W | 25.5 | Very low | 26.3 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | cis | -118 | 169.2 | 22.9 | -85.3 | 50.8 | 0 | 0 | 0 | 115.6 | ||||
| 406 | S | 23.9 | Very low | 26.5 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -143.4 | 151.6 | 158.4 | -57.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 407 | N | 26.2 | Very low | 26.5 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 55.9 | 99.1 | 171.9 | -62.6 | -4.5 | 0 | 0 | 0 | 118 | ||||
| 408 | M | 24.6 | Very low | 26.5 | Very low | 182 Ų | 182 | 138 Ų | 138 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | 177.1 | 143.6 | 105.6 | -97.8 | -164.9 | 171.8 | 0 | 0 | 111.6 | |||||
| 409 | L | 28.2 | Very low | 26.6 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | -165.8 | 100.1 | 139.9 | -114.5 | 168.7 | 0 | 0 | 0 | 112.7 | ||||
| 410 | S | 26.3 | Very low | 26.9 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -142.3 | 142 | 146.2 | 60.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 411 | G | 26.8 | Very low | 27 | Very low | 64 Ų | 64 | 138.4 Ų | 138.4 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 90.8 | 62.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 412 | H | 26.8 | Very low | 26.9 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | 25.6 | 134.3 | 146.7 | -52.6 | -80.5 | 0 | 0 | 0 | 121.3 | ||||
| 413 | T | 27.4 | Very low | 27.1 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | -168.6 | 154.8 | 101.5 | 18 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 414 | N | 24.7 | Very low | 27.3 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -79.7 | 141.9 | 169.7 | -60 | -21.5 | 0 | 0 | 0 | 109.7 | ||||
| 415 | Y | 27.7 | Very low | 27.7 | Very low | 223 Ų | 223 | 132.7 Ų | 132.7 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | -173.6 | 169.4 | 103.5 | -112.7 | -85.7 | 0 | 0 | 0 | 112.7 | |||||
| 416 | S | 29.6 | Very low | 28 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -91.5 | 155.7 | -166 | 55.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 417 | G | 26.1 | Very low | 28.3 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -170.9 | 98.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 418 | T | 27.9 | Very low | 28.5 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | 76 | 114.1 | 67.5 | 65.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 419 | S | 28.2 | Very low | 28.8 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -162.6 | 146 | 149.4 | 78.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 420 | T | 32.5 | Very low | 28.8 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | cis | -152 | 162.3 | 3.5 | 7.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 421 | S | 29.6 | Very low | 29 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | cis | -163.8 | 176.3 | 4.9 | 46.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 422 | V | 29.9 | Very low | 29 | Very low | 115 Ų | 115 | 129 Ų | 129 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | cis | -148.5 | 161.3 | 18 | -141.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 423 | N | 27.9 | Very low | 29.1 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 69.8 | 141.3 | 166.9 | -53.9 | -21.3 | 0 | 0 | 0 | 117 | ||||
| 424 | S | 30.4 | Very low | 29.2 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | cis | 176.8 | 150.5 | -16.7 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 425 | A | 31.7 | Very low | 29.2 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | cis | -171.1 | -175.7 | -15.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 426 | S | 31.3 | Very low | 29.5 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | 62.1 | 122.5 | 173.1 | 45.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 427 | S | 31.4 | Very low | 29.5 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | 92.5 | 137.3 | 40.3 | 73.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 428 | S | 30.5 | Very low | 30.1 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | cis | -177.6 | 173.8 | -5.7 | 43 | 0 | 0 | 0 | 0 | 112 | ||||
| 429 | V | 30.6 | Very low | 30 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | 90.4 | 105.9 | 160.1 | -166.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 430 | D | 26.8 | Very low | 29.8 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 7.9 | 144 | 138.6 | -39.5 | -25.9 | 0 | 0 | 0 | 123.4 | ||||
| 431 | R | 31.6 | Very low | 30.1 | Very low | 224 Ų | 224 | 126.2 Ų | 126.2 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | 173.2 | 124.1 | 93.2 | -90.9 | -157.3 | 167.1 | 172 | -3.5 | 118.1 | |||||
| 432 | V | 27.4 | Very low | 30 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | 79.8 | 144.5 | 124.2 | 178.6 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 433 | T | 28.6 | Very low | 30 | Very low | 116 Ų | 116 | 132 Ų | 132 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 85.2 | 104 | 159.5 | 29.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 434 | T | 29 | Very low | 30.1 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | 54.3 | 108.9 | 127.4 | 56.2 | 0 | 0 | 0 | 0 | 124 | |||||
| 435 | M | 25.4 | Very low | 30.2 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | 44.2 | 151.3 | 105.3 | -61.9 | -68.1 | 169 | 0 | 0 | 121.8 | |||||
| 436 | P | 34.1 | Very low | 30.3 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -148 | 162.9 | -43.7 | 41.8 | -23.6 | 0 | 0 | 0 | 116.8 | ||||
| 437 | V | 29 | Very low | 30.3 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | 63.4 | 155.1 | 160 | -128.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 438 | P | 37.5 | Very low | 30.2 | Very low | 97 Ų | 97 | 137 Ų | 137 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | -131.1 | 174.7 | -59.1 | 41.8 | -29.5 | 0 | 0 | 0 | 117.7 | |||||
| 439 | F | 25.8 | Very low | 30.2 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | 86 | 131.2 | 149.7 | -75.7 | -58.7 | 0 | 0 | 0 | 124.1 | ||||
| 440 | S | 25.9 | Very low | 30.3 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | 90.1 | 147.6 | 159 | 74.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 441 | P | 37.1 | Very low | 30.4 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -132.4 | 176.5 | -152.4 | 42.7 | -26.1 | 0 | 0 | 0 | 117.2 | ||||
| 442 | I | 28.3 | Very low | 30.2 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | trans | -178.7 | 154.7 | 143.1 | -96.5 | 154 | 0 | 0 | 0 | 114.2 | ||||
| 443 | F | 29.3 | Very low | 30.1 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | trans | -41.5 | 170.3 | -179.1 | -67 | -95.5 | 0 | 0 | 0 | 120.3 | ||||
| 444 | T | 30.1 | Very low | 29.9 | Very low | 117 Ų | 117 | 138 Ų | 138 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | cis | -168.9 | 138.6 | 39.4 | -13.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 445 | N | 32.6 | Very low | 29.8 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | trans | 70.4 | 150.6 | 133.9 | -78.9 | 8.9 | 0 | 0 | 0 | 130.4 | ||||
| 446 | H | 33.7 | Very low | 29.9 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | 73.4 | 124.9 | 169 | -59.8 | -70.5 | 0 | 0 | 0 | 117.5 | ||||
| 447 | G | 30.9 | Very low | 29.5 | Very low | 65 Ų | 65 | 138.5 Ų | 138.5 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | cis | 131.5 | 142.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 448 | F | 29.8 | Very low | 29.4 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | cis | -124.4 | -152.4 | 11.2 | -61.2 | -100.6 | 0 | 0 | 0 | 109.1 | ||||
| 449 | N | 30.7 | Very low | 28.9 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | cis | -158.4 | 173.9 | 4.1 | -167 | 21 | 0 | 0 | 0 | 110.9 | ||||
| 450 | H | 32 | Very low | 29.1 | Very low | 164 Ų | 164 | 136 Ų | 136 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 57.9 | 120.7 | 171.9 | -75.3 | -62.9 | 0 | 0 | 0 | 118.5 | ||||
| 451 | S | 29.4 | Very low | 29.2 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | cis | 164.6 | 139.3 | -34.8 | 46.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 452 | L | 27.7 | Very low | 28.8 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | cis | -154.9 | 146.9 | -22.4 | -84.2 | 176.1 | 0 | 0 | 0 | 105 | ||||
| 453 | S | 24.5 | Very low | 28.9 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | cis | 98.5 | 107.7 | 12.5 | -50.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 454 | F | 26.3 | Very low | 28.7 | Very low | 207 Ų | 207 | 142.6 Ų | 142.6 | 91% | 0.908 | 76% | 0.756 | S | S | * | * | trans | 71.5 | 173.7 | 158.7 | -90.3 | -83.9 | 0 | 0 | 0 | 120.9 | ||||
| 455 | T | 25.7 | Very low | 28.7 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | -112.7 | 143.6 | -155.8 | 49.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 456 | S | 27.9 | Very low | 28.3 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | 52.8 | 120.8 | 148.6 | 62.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 457 | F | 25.6 | Very low | 27.9 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | -166.4 | 139.5 | 110.7 | -115.3 | -82.3 | 0 | 0 | 0 | 112.6 | |||||
| 458 | T | 27.8 | Very low | 27.6 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 36.9 | 112 | 159.6 | 43.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 459 | N | 26 | Very low | 27.5 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | 49.8 | 134.5 | 119 | -108.7 | -33.4 | 0 | 0 | 0 | 120.5 | |||||
| 460 | P | 29.4 | Very low | 27.1 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | -147 | 166 | 85.9 | 41 | -26.9 | 0 | 0 | 0 | 118 | |||||
| 461 | R | 28.7 | Very low | 26.9 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | 78.2 | 106.6 | 161.4 | -73.9 | 179.1 | 177.1 | 177.4 | -0.6 | 119.5 | ||||
| 462 | Q | 27.8 | Very low | 26.7 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | trans | -59.5 | 177.6 | 148.5 | -54.6 | 168.8 | -18.9 | 0 | 0 | 111.5 | ||||
| 463 | P | 31.8 | Very low | 26.7 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | -131.2 | 151.1 | 93.5 | 36.9 | -29.8 | 0 | 0 | 0 | 114.8 | |||||
| 464 | K | 25 | Very low | 26.9 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | -102.6 | 128.5 | 164.6 | -78.1 | -174.1 | 173.6 | -174.7 | 0 | 110.1 | ||||
| 465 | A | 28.8 | Very low | 27 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -169.7 | 93.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 466 | T | 25.7 | Very low | 27.1 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | 79.4 | 123.7 | 92 | 51.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 467 | D | 24 | Very low | 27.2 | Very low | 138 Ų | 138 | 149 Ų | 149 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | 77.6 | 145.5 | 152.5 | -49.6 | -28.7 | 0 | 0 | 0 | 121.5 | ||||
| 468 | H | 26 | Very low | 27.3 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | trans | 47.3 | 116.8 | 161.9 | -62.7 | -67.8 | 0 | 0 | 0 | 118.7 | ||||
| 469 | F | 26.7 | Very low | 27.4 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.803 | 74% | 0.741 | S | S | * | * | -159 | 168.3 | 59.1 | -109.5 | -73.9 | 0 | 0 | 0 | 115.9 | |||||
| 470 | L | 22.5 | Very low | 27.5 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | -87 | -172.6 | 168.2 | -68 | 161 | 0 | 0 | 0 | 111.3 | ||||
| 471 | Y | 27.6 | Very low | 27.5 | Very low | 201 Ų | 201 | 148.6 Ų | 148.6 | 79% | 0.788 | 75% | 0.748 | S | S | * | * | trans | 77.5 | 113.5 | 177.6 | -62.9 | -96.4 | 0 | 0 | 0 | 114.5 | ||||
| 472 | S | 25 | Very low | 27.4 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | cis | 88.8 | 143.6 | 26.6 | 92.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 473 | N | 27.2 | Very low | 27.5 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | trans | 73 | 151.7 | 159.5 | -64.5 | -26.6 | 0 | 0 | 0 | 117.3 | ||||
| 474 | M | 29.7 | Very low | 27.2 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | cis | -154.2 | 142 | 1.5 | -140.1 | -176.8 | -111.1 | 0 | 0 | 115 | H476 | M474-H476 HydrophobicContact CG-CB 3.9Å; M474-H476 WeakPolarHBondContact CG-CD2 3.3Å; M474-H476 HydrophobicContact SD-CB 4Å | ||
| 475 | K | 27.4 | Very low | 27.4 | Very low | 206 Ų | 206 | 137.8 Ų | 137.8 | 90% | 0.896 | 73% | 0.734 | S | S | * | * | -174.6 | 85.7 | 121.5 | -101.1 | 174.8 | -177.7 | -179.5 | 0 | 108 | |||||
| 476 | H | 28.4 | Very low | 27.1 | Very low | 113 Ų | 113 | 139 Ų | 139 | 52% | 0.523 | 74% | 0.736 | S | S | . | * | 48.3 | 102.1 | 77.5 | -96 | -117.8 | 0 | 0 | 0 | 114.9 | M474 | M474-H476 HydrophobicContact CG-CB 3.9Å; M474-H476 WeakPolarHBondContact CG-CD2 3.3Å; M474-H476 HydrophobicContact SD-CB 4Å | |||
| 477 | I | 29.5 | Very low | 27.6 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | -123.3 | 137.7 | 111.8 | -64.7 | -174.1 | 0 | 0 | 0 | 107.4 | |||||
| 478 | S | 28.9 | Very low | 27.5 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | -115 | 157.5 | -179.7 | 51.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 479 | G | 28.2 | Very low | 27.4 | Very low | 66 Ų | 66 | 134.4 Ų | 134.4 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | cis | 148.1 | -177.5 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 480 | Q | 29.8 | Very low | 27.3 | Very low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | 69.4 | 154.6 | 178.4 | -51.9 | -167.4 | 10.2 | 0 | 0 | 115.3 | ||||
| 481 | R | 29 | Very low | 27.5 | Very low | 221 Ų | 221 | 134.2 Ų | 134.2 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | cis | -146.7 | 163.6 | 12.5 | -147.4 | 168.4 | -167.1 | -177 | 2.8 | 112.6 | ||||
| 482 | S | 26.1 | Very low | 27.4 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -70.7 | 169.2 | 175.2 | 47 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 483 | V | 30.6 | Very low | 27.4 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | -165 | 153.7 | 67.4 | 162.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 484 | S | 25.7 | Very low | 27.3 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | -14.9 | 141.5 | 175.8 | 61.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 485 | N | 28.3 | Very low | 27.2 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | -164.4 | 165.8 | 110.7 | -100.5 | -2.8 | 0 | 0 | 0 | 113 | |||||
| 486 | S | 23.1 | Very low | 27.2 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -146.8 | 169.3 | 177.5 | 60.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 487 | P | 34.9 | Very low | 27.1 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | cis | -123.9 | -170.9 | -11.8 | 40.8 | -26 | 0 | 0 | 0 | 112.8 | ||||
| 488 | S | 22.9 | Very low | 27 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | 68.9 | 152 | 172.3 | 83.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 489 | S | 23.6 | Very low | 26.8 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | cis | -153.8 | 175.9 | -6.6 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 490 | F | 23.9 | Very low | 26.9 | Very low | 154 Ų | 154 | 143 Ų | 143 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | 75.6 | 147 | 155.8 | -92.4 | -71.6 | 0 | 0 | 0 | 123.8 | D1114 | F490-D1114 VanDerWaalsContact CE2-OD2 3.28Å; F490-D1114 WeakPolarHBondContact CE2-OD2 3.45Å; F490-D1114 WeakPolarHBondContact CZ-OD2 3.48Å | ||
| 491 | Q | 27.3 | Very low | 26.7 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | 76.8 | 137.1 | 156.2 | -74.4 | -172 | -15.4 | 0 | 0 | 122.1 | ||||
| 492 | P | 25.1 | Very low | 26.8 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -83.9 | 157.8 | 174.9 | 36.1 | -35.6 | 0 | 0 | 0 | 112.5 | H494 | P492-H494 PolarHBondContact O-N 2.87Š| ||
| 493 | F | 26 | Very low | 27 | Very low | 200 Ų | 200 | 141.2 Ų | 141.2 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -75.5 | 86.1 | -175 | -92.3 | -87.5 | 0 | 0 | 0 | 114.2 | K495 | F493-K495 PolarHBondContact O-N 2.76Š| ||
| 494 | H | 24.9 | Very low | 27 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -74 | 114.2 | 152.8 | -111.9 | -84.6 | 0 | 0 | 0 | 109.6 | P492 S496 | P492-H494 PolarHBondContact O-N 2.87Å; H494-S496 PolarHBondContact O-N 3.41Å | ||
| 495 | K | 28.5 | Very low | 27.4 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -100.4 | 68.1 | -175.3 | -155.2 | 176.3 | -172.1 | 179.2 | 0 | 112.3 | F493 | F493-K495 PolarHBondContact O-N 2.76Š| ||
| 496 | S | 25.6 | Very low | 27.6 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -98.9 | 122.7 | 169.2 | 50.6 | 0 | 0 | 0 | 0 | 110.7 | H494 | H494-S496 PolarHBondContact O-N 3.41Š| ||
| 497 | I | 26.9 | Very low | 28 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | trans | -80.3 | 133.2 | 179.8 | -64 | 167 | 0 | 0 | 0 | 109.5 | ||||
| 498 | S | 27.1 | Very low | 27.7 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -118 | 110.7 | 171.3 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 499 | E | 25.6 | Very low | 28.1 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | 14.1 | 122.7 | 149.4 | -58.8 | 175.2 | 140.5 | 0 | 0 | 119.3 | ||||
| 500 | S | 30 | Very low | 28.3 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -94.8 | 125.9 | 156 | 59.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 501 | T | 25.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -53.7 | 142.5 | 179.7 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 502 | N | 31.2 | Very low | 28.6 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -152.9 | 158.8 | 140.1 | -103.8 | -34.4 | 0 | 0 | 0 | 110.5 | ||||
| 503 | Q | 30.3 | Very low | 28.7 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -107.1 | 161.2 | -163.3 | -64.6 | 178.4 | -110.8 | 0 | 0 | 114.5 | ||||
| 504 | D | 29.9 | Very low | 28.8 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 83.7 | 130.2 | 144.3 | -68.4 | -12.8 | 0 | 0 | 0 | 122.9 | ||||
| 505 | I | 35.2 | Very low | 28.9 | Very low | 150 Ų | 150 | 141 Ų | 141 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 89 | 85.2 | 154.5 | -59.2 | 151.9 | 0 | 0 | 0 | 118.9 | ||||
| 506 | N | 30.9 | Very low | 28.8 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | 57.5 | 120.2 | 128.4 | -61.4 | -15 | 0 | 0 | 0 | 123.5 | |||||
| 507 | H | 31.8 | Very low | 28.8 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | 48 | 122 | 131.3 | -55.7 | -1.3 | 0 | 0 | 0 | 119.3 | ||||
| 508 | G | 28.2 | Very low | 29 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | 128.4 | 100.9 | -8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 509 | Q | 31.2 | Very low | 29.3 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -162.6 | 112.7 | 155.3 | -119.3 | 174.9 | -2 | 0 | 0 | 113.3 | ||||
| 510 | I | 28.8 | Very low | 29.4 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | 42.6 | 130.4 | 129.2 | -53.7 | 175.5 | 0 | 0 | 0 | 119.9 | |||||
| 511 | T | 29.2 | Very low | 29.4 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | 63.8 | 140 | 164.4 | 46 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 512 | E | 28 | Very low | 29.6 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | cis | -163.3 | 174.3 | -16.8 | -142.8 | 173.1 | -164.6 | 0 | 0 | 109.8 | ||||
| 513 | I | 27.8 | Very low | 29.6 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 68% | 0.677 | 75% | 0.748 | S | S | * | * | trans | 70.6 | 104.3 | 158.9 | -65.1 | 169.9 | 0 | 0 | 0 | 117.7 | ||||
| 514 | I | 27.8 | Very low | 29.5 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | 67.2 | 104.7 | 145 | -57.1 | 172.8 | 0 | 0 | 0 | 118.7 | L516 | I514-L516 HydrophobicContact CG2-CB 4.19Å; I514-L516 HydrophobicContact CG2-CD1 3.95Å; I514-L516 HydrophobicContact CG2-CG 3.61Å | ||
| 515 | G | 27 | Very low | 29.6 | Very low | 85 Ų | 85 | 124 Ų | 124 | 88% | 0.876 | 75% | 0.751 | S | S | * | * | trans | -99 | 122.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 516 | L | 26.3 | Very low | 29.5 | Very low | 145 Ų | 145 | 123 Ų | 123 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -95.3 | 161.8 | -174.1 | -106.2 | 164.8 | 0 | 0 | 0 | 113.1 | I514 | I514-L516 HydrophobicContact CG2-CB 4.19Å; I514-L516 HydrophobicContact CG2-CD1 3.95Å; I514-L516 HydrophobicContact CG2-CG 3.61Å | ||
| 517 | S | 26.6 | Very low | 29.4 | Very low | 59 Ų | 59 | 123.8 Ų | 123.8 | 41% | 0.413 | 75% | 0.751 | S | S | . | * | trans | 67.3 | 89.2 | 153.2 | -60.2 | 0 | 0 | 0 | 0 | 118.4 | S519 S520 | S517-S519 PolarHBondContact O-N 3.26Å; S517-S520 WeakPolarHBondContact CB-OG 3.44Å; S517-S520 WeakPolarHBondContact OG-CB 3.43Å; S517-S520 PolarHBondContact OG-OG 3.2Å | ||
| 518 | T | 29.5 | Very low | 29.4 | Very low | 143 Ų | 143 | 121.9 Ų | 121.9 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -56.3 | 93.4 | 133.7 | 45.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 519 | S | 34.8 | Very low | 29.5 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 47.2 | 65.3 | 173.9 | 62.3 | 0 | 0 | 0 | 0 | 116.5 | S517 | S517-S519 PolarHBondContact O-N 3.26Š|
| 520 | S | 27.3 | Very low | 29.5 | Very low | 87 Ų | 87 | 120.6 Ų | 120.6 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | trans | -97.1 | 126.5 | 158.1 | -45.6 | 0 | 0 | 0 | 0 | 108.9 | S517 | S517-S520 WeakPolarHBondContact CB-OG 3.44Å; S517-S520 WeakPolarHBondContact OG-CB 3.43Å; S517-S520 PolarHBondContact OG-OG 3.2Å | ||
| 521 | S | 29.6 | Very low | 29.5 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -90.3 | 139.9 | -176.5 | 50.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 522 | S | 30.6 | Very low | 29.5 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | 62.7 | 143.5 | 163.9 | 39 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 523 | S | 31.2 | Very low | 29.6 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | cis | -151.3 | 177.4 | 0.5 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 524 | A | 28.5 | Very low | 30.4 | Very low | 82 Ų | 82 | 121 Ų | 121 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | -59.1 | 170.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 525 | V | 32 | Very low | 30.4 | Very low | 142 Ų | 142 | 121.7 Ų | 121.7 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | -141.5 | 162.6 | 68.1 | -177 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 526 | N | 32.1 | Very low | 30.5 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | trans | -65.4 | 163.6 | 174.3 | -56.6 | 1.8 | 0 | 0 | 0 | 114.6 | ||||
| 527 | D | 29.5 | Very low | 30.6 | Very low | 144 Ų | 144 | 125 Ų | 125 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 49.3 | 133.1 | 142.6 | -58.8 | -33.9 | 0 | 0 | 0 | 122.6 | ||||
| 528 | D | 31.4 | Very low | 30.7 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | 71.1 | 111.7 | 144.7 | -99.6 | -42 | 0 | 0 | 0 | 122.9 | ||||
| 529 | S | 30.1 | Very low | 30.6 | Very low | 87 Ų | 87 | 125.5 Ų | 125.5 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | 75.5 | 111 | 123.6 | -75.1 | 0 | 0 | 0 | 0 | 123 | |||||
| 530 | I | 32.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | 83.5 | 102 | 128.8 | -60.6 | 171.9 | 0 | 0 | 0 | 119.4 | |||||
| 531 | K | 28.5 | Very low | 30.4 | Very low | 182 Ų | 182 | 126 Ų | 126 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 78.5 | 132.6 | 138.4 | -74.2 | 178.8 | -178.8 | 177 | 0 | 124 | ||||
| 532 | T | 29.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | trans | 80.5 | 110.9 | 137.2 | 47.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 533 | N | 28.6 | Very low | 30.4 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 79 | 154.1 | 138.5 | -73 | 28.6 | 0 | 0 | 0 | 121.8 | ||||
| 534 | P | 44.5 | Very low | 30.3 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | trans | -114.3 | 173.4 | -168.7 | 41.8 | -29.9 | 0 | 0 | 0 | 115 | ||||
| 535 | D | 28.9 | Very low | 30.3 | Very low | 150 Ų | 150 | 130 Ų | 130 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | 172.6 | 138.7 | 125.6 | -85.6 | -18.8 | 0 | 0 | 0 | 114.6 | |||||
| 536 | N | 28.6 | Very low | 30.2 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 50.9 | 150.5 | 147.1 | -83.2 | 18.6 | 0 | 0 | 0 | 128.9 | ||||
| 537 | E | 28.9 | Very low | 30.2 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | trans | 86.7 | 83.3 | 140.6 | -79.5 | 162.5 | -128.1 | 0 | 0 | 125.2 | ||||
| 538 | S | 27.4 | Very low | 30.2 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | 54 | 147.3 | 115.5 | 66 | 0 | 0 | 0 | 0 | 126.6 | |||||
| 539 | S | 28 | Very low | 30.4 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | 86.9 | 150.2 | 153.4 | 79.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 540 | S | 28.4 | Very low | 30.4 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | cis | -175.2 | 148.4 | -27 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 541 | V | 30 | Very low | 30.4 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | 56.6 | 157.6 | 164.4 | -79.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 542 | H | 29.3 | Very low | 30.4 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 73% | 0.731 | 75% | 0.747 | S | S | * | * | cis | -163.1 | 178 | 5.8 | -114.3 | -26.1 | 0 | 0 | 0 | 106.8 | ||||
| 543 | E | 29.7 | Very low | 30.4 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | cis | -166.9 | -177.6 | -6.7 | -133.7 | -169 | -166.5 | 0 | 0 | 107.6 | ||||
| 544 | K | 29.7 | Very low | 30.3 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | cis | -164.1 | 159.5 | -6.8 | -153.1 | -168.3 | -152.6 | 95.4 | 0 | 109.7 | ||||
| 545 | G | 27.9 | Very low | 29.8 | Very low | 57 Ų | 57 | 133.5 Ų | 133.5 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | trans | 85.8 | 145.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 546 | F | 30 | Very low | 30.1 | Very low | 202 Ų | 202 | 129 Ų | 129 | 89% | 0.886 | 75% | 0.754 | S | S | * | * | cis | -160.4 | 165.2 | 6.9 | -87.7 | -74.3 | 0 | 0 | 0 | 108.3 | ||||
| 547 | S | 33.7 | Very low | 30.4 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -155.8 | 179.5 | -0.9 | 47.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 548 | D | 28.2 | Very low | 30.7 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -81.2 | 162.9 | -172.6 | -46.3 | -81.5 | 0 | 0 | 0 | 116.6 | ||||
| 549 | D | 35.6 | Very low | 31.8 | Very low | 164 Ų | 164 | 123.2 Ų | 123.2 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -143 | 156.1 | 130.5 | -130.7 | -25.6 | 0 | 0 | 0 | 109.4 | ||||
| 550 | T | 30.3 | Very low | 32.4 | Very low | 116 Ų | 116 | 122 Ų | 122 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | trans | -93.9 | 149 | -156.2 | 58.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 551 | D | 31.5 | Very low | 33.2 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | -152.4 | 157.8 | 127.3 | -133.3 | -27.9 | 0 | 0 | 0 | 114 | |||||
| 552 | N | 29.4 | Very low | 34.1 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | trans | -98.6 | 126.8 | -171.3 | -78.9 | -79 | 0 | 0 | 0 | 113.9 | ||||
| 553 | C | 29.6 | Very low | 34.8 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 89% | 0.892 | 69% | 0.689 | S | S | * | * | trans | -146 | 114.5 | 155.3 | -129.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 554 | S | 26.2 | Very low | 35.5 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 87% | 0.867 | 68% | 0.678 | S | S | * | * | trans | -112.1 | 100 | -173.3 | 43.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 555 | S | 34.1 | Very low | 36.5 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 83% | 0.825 | 67% | 0.666 | S | S | * | * | trans | -130.8 | 138.2 | 166.9 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 556 | G | 34.6 | Very low | 37.7 | Very low | 56 Ų | 56 | 114.6 Ų | 114.6 | 58% | 0.577 | 66% | 0.661 | S | S | * | * | trans | -85.2 | 170.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S558 | G556-S558 PolarHBondContact O-N 3.2Š| ||
| 557 | P | 36.2 | Very low | 38.7 | Very low | 144 Ų | 144 | 106 Ų | 106 | 94% | 0.935 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 76.9 | -176.5 | 32.7 | -36.5 | 0 | 0 | 0 | 112.7 | ||
| 558 | S | 33.9 | Very low | 39.4 | Very low | 77 Ų | 77 | 106 Ų | 106 | 54% | 0.538 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.8 | -35.2 | 169.3 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | G556 F560 K561 | G556-S558 PolarHBondContact O-N 3.2Å; S558-F560 VanDerWaalsContact C-N 3.3Å; S558-F560 PolarHBondContact O-N 3.48Å; S558-F560 VanDerWaalsContact O-N 3.15Å; S558-K561 PolarHBondContact O-N 3.18Å |
| 559 | S | 50.7 | Low | 40.7 | Very low | 55 Ų | 55 | 105.3 Ų | 105.3 | 39% | 0.385 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -57.3 | -34.5 | -170.4 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | K561 E562 N563 | S559-K561 VanDerWaalsContact C-N 3.27Å; S559-K561 PolarHBondContact O-N 3.44Å; S559-E562 PolarHBondContact O-N 2.84Å; S559-E562 VanDerWaalsContact O-N 3.07Å; S559-N563 WeakPolarHBondContact O-CB 3.01Å; S559-N563 PolarHBondContact O-N 2.96Å |
| 560 | F | 41.3 | Very low | 41.6 | Very low | 90 Ų | 90 | 99.3 Ų | 99.3 | 40% | 0.395 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -55 | -41.4 | -176 | -176.7 | -103.9 | 0 | 0 | 0 | 112.8 | Y237 S558 Q564 | Y237-F560 HydrophobicContact CE1-CD2 4.19Å; Y237-F560 HydrophobicContact CE1-CE2 4.05Å; Y237-F560 HydrophobicContact CE2-CD2 4.18Å; Y237-F560 HydrophobicContact CE2-CE2 4.41Å; Y237-F560 AromaticContact CZ-CD2 3.68Å; Y237-F560 AromaticContact CZ-CE2 3.94Å; Y237-F560 WeakPolarHBondContact OH-CD2 3.4Å; S558-F560 VanDerWaalsContact C-N 3.3Å; S558-F560 PolarHBondContact O-N 3.48Å; S558-F560 VanDerWaalsContact O-N 3.15Å; F560-Q564 WeakPolarHBondContact O-CB 3.37Å; F560-Q564 PolarHBondContact O-N 2.68Å |
| 561 | K | 46.2 | Very low | 42.5 | Very low | 163 Ų | 163 | 95.4 Ų | 95.4 | 71% | 0.709 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -77.8 | -31.3 | 178.3 | -81 | -169.3 | 174.3 | -176.6 | 0 | 113.3 | S558 S559 A565 | S558-K561 PolarHBondContact O-N 3.18Å; S559-K561 VanDerWaalsContact C-N 3.27Å; S559-K561 PolarHBondContact O-N 3.44Å; K561-A565 WeakPolarHBondContact O-CB 3.33Å; K561-A565 PolarHBondContact O-N 3.38Å |
| 562 | E | 48.4 | Very low | 43.4 | Very low | 111 Ų | 111 | 94.3 Ų | 94.3 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.4 | -46.1 | 178.4 | -68.8 | 175.9 | 116.6 | 0 | 0 | 110.8 | S559 Q564 A565 Q566 | S559-E562 PolarHBondContact O-N 2.84Å; S559-E562 VanDerWaalsContact O-N 3.07Å; E562-Q564 PolarHBondContact O-N 3.35Å; E562-A565 PolarHBondContact O-N 3.49Å; E562-Q566 WeakPolarHBondContact O-CG 3.2Å; E562-Q566 PolarHBondContact O-N 3.04Å |
| 563 | N | 43.4 | Very low | 43.9 | Very low | 55 Ų | 55 | 93 Ų | 93 | 29% | 0.294 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.2 | -66.4 | 2.9 | 0 | 0 | 0 | 111.2 | S559 L567 | S559-N563 WeakPolarHBondContact O-CB 3.01Å; S559-N563 PolarHBondContact O-N 2.96Å; N563-L567 PolarHBondContact O-N 3.33Å |
| 564 | Q | 43.9 | Very low | 44.2 | Very low | 80 Ų | 80 | 91.6 Ų | 91.6 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 175 | -171.6 | 176.1 | 34.7 | 0 | 0 | 112.3 | F560 E562 L567 M568 | F560-Q564 WeakPolarHBondContact O-CB 3.37Å; F560-Q564 PolarHBondContact O-N 2.68Å; E562-Q564 PolarHBondContact O-N 3.35Å; Q564-L567 PolarHBondContact O-N 3Å; Q564-M568 WeakPolarHBondContact O-CG 3.35Å; Q564-M568 PolarHBondContact O-N 2.93Å |
| 565 | A | 52 | Low | 44.6 | Very low | 53 Ų | 53 | 91.7 Ų | 91.7 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | K561 E562 L567 M568 E569 | K561-A565 WeakPolarHBondContact O-CB 3.33Å; K561-A565 PolarHBondContact O-N 3.38Å; E562-A565 PolarHBondContact O-N 3.49Å; A565-L567 VanDerWaalsContact C-N 3.26Å; A565-L567 PolarHBondContact O-N 3.43Å; A565-M568 CarbonylContact O-C 3.56Å; A565-M568 WeakPolarHBondContact O-CA 3.47Å; A565-M568 WeakPolarHBondContact O-CB 3.39Å; A565-M568 PolarHBondContact O-N 2.85Å; A565-E569 PolarHBondContact O-N 3.06Å |
| 566 | Q | 51.9 | Low | 44.6 | Very low | 105 Ų | 105 | 90.8 Ų | 90.8 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 173.8 | -71.3 | 176.3 | 10.3 | 0 | 0 | 111.4 | E562 E569 L570 | E562-Q566 WeakPolarHBondContact O-CG 3.2Å; E562-Q566 PolarHBondContact O-N 3.04Å; Q566-E569 PolarHBondContact O-N 3.32Å; Q566-L570 VanDerWaalsContact O-CG 3.31Å; Q566-L570 WeakPolarHBondContact O-CG 3.45Å; Q566-L570 PolarHBondContact O-N 2.88Å; Q566-L570 VanDerWaalsContact O-N 3.1Å |
| 567 | L | 50.9 | Low | 44.8 | Very low | 21 Ų | 21 | 94.5 Ų | 94.5 | 11% | 0.11 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 170.7 | -108.3 | 90.4 | 0 | 0 | 0 | 113.5 | L233 I243 N563 Q564 A565 E569 L570 F571 | L233-L567 HydrophobicContact CD1-CD1 4.16Å; L233-L567 HydrophobicContact CD2-CD1 3.88Å; L233-L567 HydrophobicContact CD2-CD2 3.39Å; L233-L567 HydrophobicContact CD2-CG 4.26Å; I243-L567 HydrophobicContact CG2-CD2 3.91Å; N563-L567 PolarHBondContact O-N 3.33Å; Q564-L567 PolarHBondContact O-N 3Å; A565-L567 VanDerWaalsContact C-N 3.26Å; A565-L567 PolarHBondContact O-N 3.43Å; L567-E569 VanDerWaalsContact C-N 3.29Å; L567-E569 PolarHBondContact O-N 2.95Å; L567-L570 PolarHBondContact O-N 3.4Å; L567-L570 VanDerWaalsContact O-N 3.15Å; L567-F571 HydrophobicContact CB-CD2 4.39Å; L567-F571 HydrophobicContact CD2-CD2 3.92Å; L567-F571 HydrophobicContact CD2-CE2 3.74Å; L567-F571 HydrophobicContact CG-CD2 4.01Å; L567-F571 HydrophobicContact CG-CE2 3.93Å; L567-F571 WeakPolarHBondContact O-CB 3.18Å; L567-F571 WeakPolarHBondContact O-CD2 3.34Å; L567-F571 PolarHBondContact O-N 3.43Å |
| 568 | M | 49.8 | Very low | 45.1 | Very low | 105 Ų | 105 | 91.4 Ų | 91.4 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -28.8 | 176 | -67.9 | -100.2 | 62.3 | 0 | 0 | 112.2 | Q564 A565 F573 | Q564-M568 WeakPolarHBondContact O-CG 3.35Å; Q564-M568 PolarHBondContact O-N 2.93Å; A565-M568 CarbonylContact O-C 3.56Å; A565-M568 WeakPolarHBondContact O-CA 3.47Å; A565-M568 WeakPolarHBondContact O-CB 3.39Å; A565-M568 PolarHBondContact O-N 2.85Å; M568-F573 HydrophobicContact CE-CB 4.39Å; M568-F573 HydrophobicContact CE-CD2 3.88Å |
| 569 | E | 55 | Low | 45.7 | Very low | 139 Ų | 139 | 92 Ų | 92 | 65% | 0.65 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -73 | -29 | 168.9 | -67.8 | -168.9 | 146.8 | 0 | 0 | 113.2 | A565 Q566 L567 | A565-E569 PolarHBondContact O-N 3.06Å; Q566-E569 PolarHBondContact O-N 3.32Å; L567-E569 VanDerWaalsContact C-N 3.29Å; L567-E569 PolarHBondContact O-N 2.95Å |
| 570 | L | 54.3 | Low | 46.1 | Very low | 38 Ų | 38 | 92 Ų | 92 | 20% | 0.199 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -82.2 | -27.2 | 176.7 | -71.3 | 169 | 0 | 0 | 0 | 113.5 | P328 C329 Q566 L567 | P328-L570 WeakPolarHBondContact CD-O 3.36Å; C329-L570 HydrophobicContact CB-CD2 4.34Å; Q566-L570 VanDerWaalsContact O-CG 3.31Å; Q566-L570 WeakPolarHBondContact O-CG 3.45Å; Q566-L570 PolarHBondContact O-N 2.88Å; Q566-L570 VanDerWaalsContact O-N 3.1Å; L567-L570 PolarHBondContact O-N 3.4Å; L567-L570 VanDerWaalsContact O-N 3.15Å |
| 571 | F | 50.1 | Low | 47.1 | Very low | 33 Ų | 33 | 93.3 Ų | 93.3 | 15% | 0.145 | 49% | 0.488 | C | S | . | . | trans | -122.4 | 100.8 | -174 | -66.6 | -68.8 | 0 | 0 | 0 | 113.3 | T246 L250 L567 F573 | T246-F571 HydrophobicContact CG2-CD1 3.84Å; T246-F571 HydrophobicContact CG2-CE1 3.62Å; T246-F571 HydrophobicContact CG2-CZ 4.3Å; L250-F571 HydrophobicContact CD2-CE1 4.08Å; L250-F571 HydrophobicContact CD2-CZ 3.65Å; L567-F571 HydrophobicContact CB-CD2 4.39Å; L567-F571 HydrophobicContact CD2-CD2 3.92Å; L567-F571 HydrophobicContact CD2-CE2 3.74Å; L567-F571 HydrophobicContact CG-CD2 4.01Å; L567-F571 HydrophobicContact CG-CE2 3.93Å; L567-F571 WeakPolarHBondContact O-CB 3.18Å; L567-F571 WeakPolarHBondContact O-CD2 3.34Å; L567-F571 PolarHBondContact O-N 3.43Å; F571-F573 HydrophobicContact CB-CD2 3.9Å; F571-F573 HydrophobicContact CB-CE2 3.97Å; F571-F573 PolarHBondContact O-N 3.42Å | ||
| 572 | N | 48.8 | Very low | 48.2 | Very low | 137 Ų | 137 | 87.9 Ų | 87.9 | 73% | 0.733 | 47% | 0.47 | S | S | * | . | trans | -64.4 | 93.1 | 163.8 | -101.2 | -17.1 | 0 | 0 | 0 | 110.3 | T574 | N572-T574 PolarHBondContact O-N 2.96Š| ||
| 573 | F | 40.4 | Very low | 49.5 | Very low | 118 Ų | 118 | 83.3 Ų | 83.3 | 52% | 0.518 | 45% | 0.449 | S | S | . | . | trans | -75.8 | 61.4 | 176.5 | -100 | -83.6 | 0 | 0 | 0 | 112.7 | I243 M568 F571 | I243-F573 HydrophobicContact CG1-CZ 4.19Å; M568-F573 HydrophobicContact CE-CB 4.39Å; M568-F573 HydrophobicContact CE-CD2 3.88Å; F571-F573 HydrophobicContact CB-CD2 3.9Å; F571-F573 HydrophobicContact CB-CE2 3.97Å; F571-F573 PolarHBondContact O-N 3.42Å | ||
| 574 | T | 36.7 | Very low | 51.2 | Low | 102 Ų | 102 | 80.7 Ų | 80.7 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | trans | -91.9 | 121.7 | 159 | 49.5 | 0 | 0 | 0 | 0 | 108.9 | N572 D576 | N572-T574 PolarHBondContact O-N 2.96Å; T574-D576 PolarHBondContact O-N 2.88Å | ||
| 575 | S | 34 | Very low | 52.9 | Low | 126 Ų | 126 | 78.3 Ų | 78.3 | 88% | 0.881 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -71.1 | 8 | -168.1 | 52.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 576 | D | 35 | Very low | 54.3 | Low | 99 Ų | 99 | 76.5 Ų | 76.5 | 53% | 0.529 | 41% | 0.408 | S | S | . | . | trans | -109.1 | 93.8 | 175 | -79.6 | -49.1 | 0 | 0 | 0 | 110.7 | T574 T578 N579 | T574-D576 PolarHBondContact O-N 2.88Å; D576-T578 PolarHBondContact O-N 3.39Å; D576-N579 PolarHBondContact O-N 2.96Å | ||
| 577 | M | 38 | Very low | 55.9 | Low | 133 Ų | 133 | 71.6 Ų | 71.6 | 66% | 0.655 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 21.7 | 175.7 | -78.5 | -83.3 | 179.6 | 0 | 0 | 114.5 | ||
| 578 | T | 42.6 | Very low | 57.5 | Low | 79 Ų | 79 | 70.9 Ų | 70.9 | 49% | 0.485 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -25.4 | -173.8 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | D576 I580 | D576-T578 PolarHBondContact O-N 3.39Å; T578-I580 PolarHBondContact O-N 3.02Å |
| 579 | N | 46.2 | Very low | 59.3 | Low | 89 Ų | 89 | 65.9 Ų | 65.9 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | trans | -92.9 | 81.6 | -175.3 | -71.7 | -37.3 | 0 | 0 | 0 | 111.4 | D576 L581 | D576-N579 PolarHBondContact O-N 2.96Å; N579-L581 PolarHBondContact O-N 3.24Å | ||
| 580 | I | 58.6 | Low | 61 | Low | 55 Ų | 55 | 59.3 Ų | 59.3 | 28% | 0.282 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 129.1 | 169.4 | -62.3 | 174.3 | 0 | 0 | 0 | 108.9 | T578 A778 | T578-I580 PolarHBondContact O-N 3.02Å; I580-A778 HydrophobicContact CB-CB 3.96Å; I580-A778 HydrophobicContact CG2-CB 4.45Å; I580-A778 WeakPolarHBondContact O-CB 3.28Å |
| 581 | L | 63.1 | Low | 62.7 | Low | 118 Ų | 118 | 57.5 Ų | 57.5 | 62% | 0.618 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 132.6 | 176.4 | -159.4 | 73.5 | 0 | 0 | 0 | 109.9 | N579 R592 | N579-L581 PolarHBondContact O-N 3.24Å; L581-R592 PolarHBondContact O-NH1 2.83Å |
| 582 | P | 69.2 | Low | 64.6 | Low | 50 Ų | 50 | 57.3 Ų | 57.3 | 33% | 0.325 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 149.2 | -179.9 | 24.8 | -35.3 | 0 | 0 | 0 | 111.7 | L369 D776 | L369-P582 HydrophobicContact CD1-CB 4.32Å; L369-P582 HydrophobicContact CD1-CG 4.2Å; P582-D776 CarbonylContact C-O 3.59Å; P582-D776 WeakPolarHBondContact CA-O 3.47Å; P582-D776 WeakPolarHBondContact CB-O 3.48Å |
| 583 | T | 75.3 | Confident | 66.6 | Low | 14 Ų | 14 | 52.2 Ų | 52.2 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -147.5 | 149 | -177.6 | -172.5 | 0 | 0 | 0 | 0 | 113 | N585 V588 I589 D776 | T583-N585 PolarHBondContact OG1-N 3.36Å; T583-V588 HydrophobicContact CG2-CG1 4.35Å; T583-I589 HydrophobicContact CG2-CG1 3.85Å; T583-D776 HydrophobicContact CG2-CB 3.95Å; T583-D776 PolarHBondContact N-O 3.05Å; T583-D776 VanDerWaalsContact N-O 3.1Å; T583-D776 PolarHBondContact O-N 2.87Å |
| 584 | C | 78.7 | Confident | 69 | Low | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | trans | -111 | -2 | 177.4 | 47.8 | 0 | 0 | 0 | 0 | 113 | L369 C370 H586 H773 | L369-C584 VanDerWaalsContact C-SG 3.55Å; C370-C584 WeakPolarHBondContact CB-SG 3.29Å; C370-C584 VanDerWaalsContact SG-C 3.5Å; C370-C584 WeakPolarHBondContact SG-CB 3.3Å; C370-C584 CovalentContact SG-SG 2.04Å; C370-C584 PolarHBondContact SG-SG 3.49Å; C584-H586 PolarHBondContact O-N 2.87Å; C584-H773 VanDerWaalsContact C-NE2 3.25Å; C584-H773 WeakPolarHBondContact CB-CE1 3.32Å; C584-H773 VanDerWaalsContact CB-NE2 3.29Å; C584-H773 WeakPolarHBondContact CB-NE2 3.34Å; C584-H773 PolarHBondContact O-NE2 3.21Å | ||
| 585 | N | 80.1 | Confident | 71.6 | Confident | 30 Ų | 30 | 41.7 Ų | 41.7 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | trans | -82 | 113.7 | -173.9 | -175.4 | -68.3 | 0 | 0 | 0 | 111.8 | A335 T583 M587 V588 I589 | A335-N585 WeakPolarHBondContact CB-ND2 3.37Å; T583-N585 PolarHBondContact OG1-N 3.36Å; N585-M587 VanDerWaalsContact C-N 3.27Å; N585-M587 PolarHBondContact O-N 3.18Å; N585-M587 VanDerWaalsContact O-N 3.15Å; N585-M587 PolarHBondContact OD1-N 3.4Å; N585-V588 HydrophobicContact CB-CB 4.16Å; N585-V588 HydrophobicContact CB-CG2 4.04Å; N585-V588 PolarHBondContact O-N 3.23Å; N585-V588 VanDerWaalsContact O-N 3.14Å; N585-V588 PolarHBondContact OD1-N 3.44Å; N585-V588 VanDerWaalsContact OD1-N 3.1Å; N585-I589 VanDerWaalsContact O-CG1 3.29Å; N585-I589 WeakPolarHBondContact O-CG1 3.37Å; N585-I589 PolarHBondContact O-N 3.36Å | ||
| 586 | H | 81.1 | Confident | 74.3 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 7% | 0.069 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -51.9 | -38.2 | -177.4 | -60.6 | 103.4 | 0 | 0 | 0 | 114.7 | F338 C584 A590 H773 H930 L931 | F338-H586 HydrophobicContact CE2-CB 4.49Å; F338-H586 HydrophobicContact CZ-CB 4.42Å; C584-H586 PolarHBondContact O-N 2.87Å; H586-A590 VanDerWaalsContact O-CB 3.3Å; H586-A590 WeakPolarHBondContact O-CB 3.47Å; H586-A590 PolarHBondContact O-N 3.46Å; H586-H773 AromaticContact CE1-CD2 3.58Å; H586-H773 AromaticContact CE1-NE2 3.93Å; H586-H773 AromaticContact NE2-CD2 3.46Å; H586-H773 PolarHBondContact NE2-CD2 2.92Å; H586-H930 AromaticContact CD2-NE2 3.92Å; H586-H930 AromaticContact NE2-CE1 3.84Å; H586-H930 AromaticContact NE2-NE2 3.78Å; H586-L931 HydrophobicContact CB-CD1 4.41Å; H586-L931 HydrophobicContact CB-CD2 4.35Å |
| 587 | M | 85.5 | Confident | 76.9 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -78.9 | -34.8 | -179.1 | -74.7 | -61 | -70.9 | 0 | 0 | 112.7 | I214 F215 I334 F338 I341 N585 A590 F591 L931 F935 | I214-M587 HydrophobicContact CG2-CE 3.78Å; F215-M587 HydrophobicContact CD1-CE 4.44Å; F215-M587 HydrophobicContact CE1-CE 3.79Å; F215-M587 HydrophobicContact CZ-CE 4.09Å; I334-M587 VanDerWaalsContact CG2-C 3.42Å; I334-M587 HydrophobicContact CG2-CB 3.55Å; I334-M587 WeakPolarHBondContact CG2-O 3.43Å; I334-M587 WeakPolarHBondContact O-CB 3.47Å; F338-M587 HydrophobicContact CB-CB 4.32Å; F338-M587 HydrophobicContact CB-CG 3.55Å; F338-M587 HydrophobicContact CD2-CG 3.49Å; F338-M587 VanDerWaalsContact CD2-CG 3.49Å; F338-M587 HydrophobicContact CD2-SD 4.26Å; F338-M587 HydrophobicContact CE2-CG 4.49Å; F338-M587 HydrophobicContact CG-CG 3.81Å; I341-M587 HydrophobicContact CD1-CE 4.29Å; N585-M587 VanDerWaalsContact C-N 3.27Å; N585-M587 PolarHBondContact O-N 3.18Å; N585-M587 VanDerWaalsContact O-N 3.15Å; N585-M587 PolarHBondContact OD1-N 3.4Å; M587-A590 PolarHBondContact O-N 3.19Å; M587-F591 WeakPolarHBondContact O-CB 3.22Å; M587-F591 PolarHBondContact O-N 3.23Å; M587-L931 HydrophobicContact SD-CD1 4.12Å; M587-F935 HydrophobicContact CE-CE1 4.13Å; M587-F935 HydrophobicContact CE-CZ 4.15Å; M587-F935 HydrophobicContact SD-CE1 3.56Å; M587-F935 VanDerWaalsContact SD-CE1 3.56Å; M587-F935 HydrophobicContact SD-CZ 3.58Å; M587-F935 VanDerWaalsContact SD-CZ 3.58Å |
| 588 | V | 84.1 | Confident | 79.4 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.4 | -40.3 | 172.1 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | M331 I334 T583 N585 F591 R592 | M331-V588 HydrophobicContact CB-CG2 4.36Å; M331-V588 HydrophobicContact CG-CG1 4.26Å; M331-V588 HydrophobicContact SD-CG1 4.26Å; I334-V588 HydrophobicContact CB-CG2 4.46Å; I334-V588 HydrophobicContact CG2-CG2 3.99Å; T583-V588 HydrophobicContact CG2-CG1 4.35Å; N585-V588 HydrophobicContact CB-CB 4.16Å; N585-V588 HydrophobicContact CB-CG2 4.04Å; N585-V588 PolarHBondContact O-N 3.23Å; N585-V588 VanDerWaalsContact O-N 3.14Å; N585-V588 PolarHBondContact OD1-N 3.44Å; N585-V588 VanDerWaalsContact OD1-N 3.1Å; V588-F591 PolarHBondContact O-N 2.72Å; V588-R592 WeakPolarHBondContact O-CG 3.31Å; V588-R592 PolarHBondContact O-N 3.02Å |
| 589 | I | 88.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 173.7 | -58.8 | 168.5 | 0 | 0 | 0 | 110.4 | T583 N585 R592 Y593 I774 D776 I923 V927 | T583-I589 HydrophobicContact CG2-CG1 3.85Å; N585-I589 VanDerWaalsContact O-CG1 3.29Å; N585-I589 WeakPolarHBondContact O-CG1 3.37Å; N585-I589 PolarHBondContact O-N 3.36Å; I589-R592 PolarHBondContact O-N 3.11Å; I589-Y593 HydrophobicContact CG2-CD2 3.85Å; I589-Y593 HydrophobicContact CG2-CE2 4.44Å; I589-Y593 WeakPolarHBondContact O-CD2 3.47Å; I589-Y593 PolarHBondContact O-N 2.95Å; I589-I774 WeakPolarHBondContact CD1-O 3.42Å; I589-D776 HydrophobicContact CG1-CB 4.42Å; I589-I923 HydrophobicContact CG2-CG2 3.41Å; I589-I923 VanDerWaalsContact CG2-CG2 3.41Å; I589-V927 HydrophobicContact CG2-CG2 3.69Å |
| 590 | A | 90.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -64 | -42.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F215 H586 M587 L594 L595 V927 L931 | F215-A590 HydrophobicContact CE1-CB 4.47Å; F215-A590 HydrophobicContact CZ-CB 3.96Å; H586-A590 VanDerWaalsContact O-CB 3.3Å; H586-A590 WeakPolarHBondContact O-CB 3.47Å; H586-A590 PolarHBondContact O-N 3.46Å; M587-A590 PolarHBondContact O-N 3.19Å; A590-L594 HydrophobicContact CB-CB 4.37Å; A590-L594 CarbonylContact O-C 3.57Å; A590-L594 WeakPolarHBondContact O-CA 3.41Å; A590-L594 VanDerWaalsContact O-CB 3.3Å; A590-L594 WeakPolarHBondContact O-CB 3.41Å; A590-L594 PolarHBondContact O-N 3.14Å; A590-L595 PolarHBondContact O-N 3Å; A590-V927 HydrophobicContact CB-CG1 3.64Å; A590-L931 HydrophobicContact CB-CD1 3.85Å |
| 591 | F | 90.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | I | π-helix | trans | -62.8 | -44.4 | 175.4 | -175.7 | -100.3 | 0 | 0 | 0 | 111.5 | F215 L219 I321 L324 A325 I334 M587 V588 L595 | F215-F591 AromaticContact CD1-CD2 3.99Å; F215-F591 HydrophobicContact CD1-CD2 3.99Å; F215-F591 HydrophobicContact CE1-CB 4.14Å; F215-F591 HydrophobicContact CE1-CD2 4.38Å; L219-F591 HydrophobicContact CD1-CD2 4.09Å; L219-F591 HydrophobicContact CD1-CE2 3.47Å; L219-F591 VanDerWaalsContact CD1-CE2 3.47Å; L219-F591 HydrophobicContact CD1-CZ 4.2Å; I321-F591 HydrophobicContact CG2-CD1 4.24Å; I321-F591 HydrophobicContact CG2-CE1 4.09Å; I321-F591 VanDerWaalsContact CG2-O 3.22Å; I321-F591 WeakPolarHBondContact CG2-O 3.23Å; L324-F591 HydrophobicContact CB-CE1 3.98Å; L324-F591 HydrophobicContact CB-CZ 4Å; L324-F591 HydrophobicContact CD1-CZ 4.33Å; A325-F591 HydrophobicContact CB-CD1 3.82Å; A325-F591 HydrophobicContact CB-CE1 3.95Å; I334-F591 HydrophobicContact CD1-CB 3.97Å; I334-F591 HydrophobicContact CD1-CD1 3.82Å; I334-F591 HydrophobicContact CD1-CD2 3.82Å; I334-F591 HydrophobicContact CD1-CE1 4.26Å; I334-F591 HydrophobicContact CD1-CE2 4.25Å; I334-F591 HydrophobicContact CD1-CG 3.59Å; I334-F591 HydrophobicContact CD1-CZ 4.46Å; M587-F591 WeakPolarHBondContact O-CB 3.22Å; M587-F591 PolarHBondContact O-N 3.23Å; V588-F591 PolarHBondContact O-N 2.72Å; F591-L595 HydrophobicContact CD2-CD2 3.52Å; F591-L595 HydrophobicContact CE2-CD2 3.48Å; F591-L595 VanDerWaalsContact CE2-CD2 3.48Å; F591-L595 HydrophobicContact CG-CD2 4.5Å; F591-L595 HydrophobicContact CZ-CD2 4.42Å |
| 592 | R | 89.5 | Confident | 86.4 | Confident | 29 Ų | 29 | 9.4 Ų | 9.4 | 11% | 0.109 | 5% | 0.049 | C | C | . | . | I | π-helix | trans | -63.5 | -43.5 | 177.4 | -75.1 | 176.9 | 180 | 178.2 | 3.1 | 114 | A325 L581 V588 I589 D776 | A325-R592 HydrophobicContact CB-CG 3.55Å; A325-R592 PolarHBondContact O-NE 2.79Å; A325-R592 PolarHBondContact O-NH2 3.01Å; L581-R592 PolarHBondContact O-NH1 2.83Å; V588-R592 WeakPolarHBondContact O-CG 3.31Å; V588-R592 PolarHBondContact O-N 3.02Å; I589-R592 PolarHBondContact O-N 3.11Å; R592-D776 IonicContact NH1-OD2 2.77Å; R592-D776 PolarHBondContact NH1-OD2 3.26Å |
| 593 | Y | 90.6 | Very high | 87.3 | Confident | 30 Ų | 30 | 7 Ų | 7 | 12% | 0.118 | 3% | 0.034 | C | C | . | . | I | π-helix | trans | -120.4 | -28.1 | -164.2 | -61.7 | -65.9 | 0 | 0 | 0 | 115.5 | I589 A920 I923 S924 | I589-Y593 HydrophobicContact CG2-CD2 3.85Å; I589-Y593 HydrophobicContact CG2-CE2 4.44Å; I589-Y593 WeakPolarHBondContact O-CD2 3.47Å; I589-Y593 PolarHBondContact O-N 2.95Å; Y593-A920 HydrophobicContact CD1-CB 3.75Å; Y593-A920 HydrophobicContact CE1-CB 4.26Å; Y593-I923 HydrophobicContact CD2-CB 4.3Å; Y593-I923 HydrophobicContact CD2-CD1 4.17Å; Y593-I923 HydrophobicContact CD2-CG2 3.6Å; Y593-I923 HydrophobicContact CE2-CD1 3.97Å; Y593-I923 HydrophobicContact CE2-CG2 4.38Å; Y593-I923 HydrophobicContact CG-CB 4.25Å; Y593-I923 HydrophobicContact CG-CG2 3.89Å; Y593-S924 VanDerWaalsContact O-CB 3.27Å; Y593-S924 WeakPolarHBondContact O-CB 3.08Å |
| 594 | L | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.031 | C | C | . | . | I | π-helix | trans | -93.6 | -41.7 | -179.8 | 179.1 | 58.6 | 0 | 0 | 0 | 112.3 | A590 P596 Q597 L598 F663 V927 Y928 F935 | A590-L594 HydrophobicContact CB-CB 4.37Å; A590-L594 CarbonylContact O-C 3.57Å; A590-L594 WeakPolarHBondContact O-CA 3.41Å; A590-L594 VanDerWaalsContact O-CB 3.3Å; A590-L594 WeakPolarHBondContact O-CB 3.41Å; A590-L594 PolarHBondContact O-N 3.14Å; L594-P596 VanDerWaalsContact C-CD 3.49Å; L594-Q597 PolarHBondContact O-N 3.23Å; L594-L598 HydrophobicContact CD1-CD1 4.45Å; L594-L598 HydrophobicContact CD1-CD2 4.31Å; L594-L598 HydrophobicContact CD1-CG 4.05Å; L594-L598 HydrophobicContact CD2-CD1 4.33Å; L594-L598 HydrophobicContact CG-CD1 3.89Å; L594-L598 HydrophobicContact CG-CG 4Å; L594-L598 PolarHBondContact O-N 3.17Å; L594-F663 HydrophobicContact CD1-CE1 4.41Å; L594-F663 HydrophobicContact CD1-CE2 3.97Å; L594-F663 HydrophobicContact CD1-CZ 3.69Å; L594-V927 HydrophobicContact CB-CG1 4.47Å; L594-V927 HydrophobicContact CD2-CG1 4.15Å; L594-Y928 HydrophobicContact CD1-CD2 4.03Å; L594-Y928 HydrophobicContact CD1-CG 4.43Å; L594-Y928 HydrophobicContact CD2-CD2 4.16Å; L594-F935 HydrophobicContact CD2-CE2 4.47Å |
| 595 | L | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -55 | -44.2 | 179.2 | -179.1 | 62.9 | 0 | 0 | 0 | 113.7 | F215 F261 I321 A590 F591 Q597 L598 L599 | F215-L595 HydrophobicContact CB-CD1 4.28Å; F215-L595 HydrophobicContact CB-CD2 4.46Å; F215-L595 HydrophobicContact CD2-CD1 3.94Å; F215-L595 HydrophobicContact CG-CD1 4.16Å; F215-L595 HydrophobicContact CG-CD2 4.43Å; F261-L595 HydrophobicContact CE1-CD1 4.5Å; F261-L595 HydrophobicContact CZ-CD2 4.09Å; I321-L595 HydrophobicContact CD1-CB 4.32Å; I321-L595 HydrophobicContact CD1-CD2 3.99Å; I321-L595 HydrophobicContact CD1-CG 3.97Å; I321-L595 HydrophobicContact CG1-CD2 4.39Å; A590-L595 PolarHBondContact O-N 3Å; F591-L595 HydrophobicContact CD2-CD2 3.52Å; F591-L595 HydrophobicContact CE2-CD2 3.48Å; F591-L595 VanDerWaalsContact CE2-CD2 3.48Å; F591-L595 HydrophobicContact CG-CD2 4.5Å; F591-L595 HydrophobicContact CZ-CD2 4.42Å; L595-Q597 PolarHBondContact O-N 3.23Å; L595-Q597 VanDerWaalsContact O-N 3.08Å; L595-L598 PolarHBondContact O-N 2.94Å; L595-L598 VanDerWaalsContact O-N 3.16Å; L595-L599 HydrophobicContact CD1-CD1 4.34Å; L595-L599 HydrophobicContact CD1-CD2 4.2Å; L595-L599 HydrophobicContact CD1-CG 3.95Å; L595-L599 HydrophobicContact CG-CD1 4.11Å; L595-L599 HydrophobicContact CG-CG 4.21Å; L595-L599 WeakPolarHBondContact O-CG 3.28Å; L595-L599 PolarHBondContact O-N 2.83Å |
| 596 | P | 91.2 | Very high | 88.6 | Confident | 12 Ų | 12 | 5.4 Ų | 5.4 | 8% | 0.078 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -57.4 | -28 | 176.9 | -20.7 | 29.1 | 0 | 0 | 0 | 113.6 | R318 I321 L594 | R318-P596 HydrophobicContact CG-CB 4.39Å; I321-P596 HydrophobicContact CD1-CB 4.25Å; I321-P596 HydrophobicContact CD1-CG 3.67Å; I321-P596 HydrophobicContact CG2-CG 4.36Å; L594-P596 VanDerWaalsContact C-CD 3.49Å |
| 597 | Q | 88.8 | Confident | 88.8 | Confident | 7 Ų | 7 | 5.6 Ų | 5.6 | 3% | 0.033 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -88.1 | -35.2 | -180 | -57.9 | -163.8 | -11.4 | 0 | 0 | 112.2 | L594 L595 L599 L600 V656 L660 F663 N921 S924 | L594-Q597 PolarHBondContact O-N 3.23Å; L595-Q597 PolarHBondContact O-N 3.23Å; L595-Q597 VanDerWaalsContact O-N 3.08Å; Q597-L599 VanDerWaalsContact C-N 3.35Å; Q597-L600 PolarHBondContact O-N 3.44Å; Q597-V656 HydrophobicContact CG-CG1 4.01Å; Q597-L660 HydrophobicContact CB-CD2 3.78Å; Q597-L660 WeakPolarHBondContact O-CD2 3.41Å; Q597-F663 HydrophobicContact CB-CE2 3.91Å; Q597-N921 PolarHBondContact NE2-OD1 3.39Å; Q597-S924 PolarHBondContact NE2-OG 3.14Å; Q597-S924 VanDerWaalsContact OE1-CB 3.27Å; Q597-S924 PolarHBondContact OE1-OG 3.47Å |
| 598 | L | 89.7 | Confident | 88.6 | Confident | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 171.3 | -66.9 | 176.8 | 0 | 0 | 0 | 111.3 | I210 I211 F215 L594 L595 L600 L601 P602 Y928 | I210-L598 HydrophobicContact CB-CD1 4.43Å; I210-L598 HydrophobicContact CG2-CD1 3.61Å; I211-L598 HydrophobicContact CD1-CB 4.41Å; I211-L598 WeakPolarHBondContact CD1-O 3.23Å; I211-L598 HydrophobicContact CG1-CB 3.99Å; F215-L598 HydrophobicContact CE2-CD1 4.19Å; L594-L598 HydrophobicContact CD1-CD1 4.45Å; L594-L598 HydrophobicContact CD1-CD2 4.31Å; L594-L598 HydrophobicContact CD1-CG 4.05Å; L594-L598 HydrophobicContact CD2-CD1 4.33Å; L594-L598 HydrophobicContact CG-CD1 3.89Å; L594-L598 HydrophobicContact CG-CG 4Å; L594-L598 PolarHBondContact O-N 3.17Å; L595-L598 PolarHBondContact O-N 2.94Å; L595-L598 VanDerWaalsContact O-N 3.16Å; L598-L600 VanDerWaalsContact C-N 3.27Å; L598-L600 PolarHBondContact O-N 3.19Å; L598-L601 HydrophobicContact CD2-CD2 4.1Å; L598-L601 WeakPolarHBondContact O-CB 3.48Å; L598-L601 PolarHBondContact O-N 3.47Å; L598-P602 WeakPolarHBondContact O-CD 3.42Å; L598-Y928 HydrophobicContact CD2-CE2 4.4Å |
| 599 | L | 92.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.4 | -32.5 | 179.8 | -71 | 173.2 | 0 | 0 | 0 | 113.4 | I211 V260 Y308 L312 C317 W320 I321 L595 Q597 L601 | I211-L599 HydrophobicContact CG2-CD2 3.7Å; V260-L599 HydrophobicContact CG1-CD1 4.32Å; V260-L599 HydrophobicContact CG1-CD2 3.68Å; Y308-L599 WeakPolarHBondContact CE1-O 3.5Å; Y308-L599 WeakPolarHBondContact OH-CA 3.47Å; Y308-L599 WeakPolarHBondContact OH-CD2 3.25Å; Y308-L599 PolarHBondContact OH-O 2.89Å; L312-L599 HydrophobicContact CD1-CB 3.83Å; L312-L599 HydrophobicContact CD1-CD1 3.98Å; L312-L599 HydrophobicContact CD1-CG 4.37Å; L312-L599 HydrophobicContact CD2-CB 4.17Å; L312-L599 WeakPolarHBondContact CD2-O 3.42Å; C317-L599 HydrophobicContact CB-CD1 4.45Å; W320-L599 HydrophobicContact CH2-CD1 3.98Å; W320-L599 HydrophobicContact CZ2-CD1 3.92Å; I321-L599 HydrophobicContact CD1-CD1 4.03Å; L595-L599 HydrophobicContact CD1-CD1 4.34Å; L595-L599 HydrophobicContact CD1-CD2 4.2Å; L595-L599 HydrophobicContact CD1-CG 3.95Å; L595-L599 HydrophobicContact CG-CD1 4.11Å; L595-L599 HydrophobicContact CG-CG 4.21Å; L595-L599 WeakPolarHBondContact O-CG 3.28Å; L595-L599 PolarHBondContact O-N 2.83Å; Q597-L599 VanDerWaalsContact C-N 3.35Å; L599-L601 VanDerWaalsContact C-N 3.28Å; L599-L601 PolarHBondContact O-N 2.84Å |
| 600 | L | 89.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -70.1 | -25.2 | 174.5 | -64.1 | 175.5 | 0 | 0 | 0 | 113.2 | L312 F313 Q597 L598 N603 F604 L647 W652 V653 V656 L660 | L312-L600 HydrophobicContact CD2-CD2 4.33Å; F313-L600 HydrophobicContact CE1-CD2 4.02Å; F313-L600 HydrophobicContact CZ-CD2 3.52Å; Q597-L600 PolarHBondContact O-N 3.44Å; L598-L600 VanDerWaalsContact C-N 3.27Å; L598-L600 PolarHBondContact O-N 3.19Å; L600-N603 PolarHBondContact O-N 2.78Å; L600-F604 HydrophobicContact CB-CD2 4.22Å; L600-F604 HydrophobicContact CB-CE2 4.18Å; L600-F604 WeakPolarHBondContact O-CD2 2.99Å; L600-F604 PolarHBondContact O-N 3.24Å; L600-L647 HydrophobicContact CD2-CD2 4.15Å; L600-W652 HydrophobicContact CD1-CH2 3.73Å; L600-W652 HydrophobicContact CD1-CZ3 3.7Å; L600-W652 HydrophobicContact CD2-CH2 4.07Å; L600-W652 HydrophobicContact CD2-CZ2 4.37Å; L600-W652 HydrophobicContact CG-CH2 4.07Å; L600-V653 HydrophobicContact CD1-CG1 4.33Å; L600-V653 HydrophobicContact CD1-CG2 4.09Å; L600-V653 HydrophobicContact CD2-CG1 4.47Å; L600-V653 HydrophobicContact CD2-CG2 3.79Å; L600-V656 HydrophobicContact CD1-CG1 4.27Å; L600-L660 HydrophobicContact CB-CD1 3.92Å; L600-L660 HydrophobicContact CD1-CD1 3.88Å |
| 601 | L | 87.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.9 | -40.1 | -160.6 | -153.6 | 52.6 | 0 | 0 | 0 | 114.4 | H207 L598 L599 N603 F604 Q605 L660 F663 L664 | H207-L601 HydrophobicContact CB-CD2 4.28Å; H207-L601 VanDerWaalsContact CE1-CD2 3.42Å; H207-L601 WeakPolarHBondContact CE1-CD2 3.42Å; H207-L601 VanDerWaalsContact ND1-CD2 3.26Å; H207-L601 WeakPolarHBondContact ND1-CD2 3.22Å; L598-L601 HydrophobicContact CD2-CD2 4.1Å; L598-L601 WeakPolarHBondContact O-CB 3.48Å; L598-L601 PolarHBondContact O-N 3.47Å; L599-L601 VanDerWaalsContact C-N 3.28Å; L599-L601 PolarHBondContact O-N 2.84Å; L601-N603 VanDerWaalsContact C-N 3.29Å; L601-N603 PolarHBondContact O-N 2.86Å; L601-F604 PolarHBondContact O-N 3.02Å; L601-Q605 VanDerWaalsContact O-CG 3.28Å; L601-Q605 WeakPolarHBondContact O-CG 3.35Å; L601-Q605 PolarHBondContact O-N 2.88Å; L601-Q605 PolarHBondContact O-OE1 2.9Å; L601-L660 HydrophobicContact CD1-CB 4.13Å; L601-L660 HydrophobicContact CD1-CD2 4.42Å; L601-F663 HydrophobicContact CD1-CB 4.33Å; L601-F663 HydrophobicContact CD2-CB 3.83Å; L601-F663 HydrophobicContact CD2-CD2 4.3Å; L601-L664 HydrophobicContact CD1-CD2 3.57Å; L601-L664 HydrophobicContact CD1-CG 3.79Å; L601-L664 HydrophobicContact CG-CD2 4.13Å |
| 602 | P | 89.4 | Confident | 88 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.4 | -38.3 | 174.7 | -24.3 | 34.7 | 0 | 0 | 0 | 113.1 | L208 I211 F305 Y308 L598 Q605 L606 | L208-P602 HydrophobicContact CD2-CB 3.99Å; L208-P602 HydrophobicContact CD2-CG 3.5Å; L208-P602 HydrophobicContact CG-CB 4.36Å; L208-P602 HydrophobicContact CG-CG 3.92Å; I211-P602 HydrophobicContact CD1-CG 3.94Å; F305-P602 HydrophobicContact CD1-CB 4.35Å; F305-P602 HydrophobicContact CE1-CB 4.01Å; F305-P602 VanDerWaalsContact CE1-O 3.28Å; F305-P602 WeakPolarHBondContact CE1-O 3.36Å; Y308-P602 HydrophobicContact CE1-CB 4.25Å; Y308-P602 HydrophobicContact CE1-CG 4.2Å; L598-P602 WeakPolarHBondContact O-CD 3.42Å; P602-Q605 WeakPolarHBondContact O-CB 3.2Å; P602-Q605 PolarHBondContact O-N 2.81Å; P602-Q605 VanDerWaalsContact O-N 3.17Å; P602-L606 PolarHBondContact O-N 3.03Å |
| 603 | N | 88.3 | Confident | 88 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -69.3 | -38.2 | -179.3 | -74 | -29.9 | 0 | 0 | 0 | 111.9 | F305 Y308 L600 L601 L607 V643 L647 | F305-N603 PolarHBondContact O-OD1 2.89Å; Y308-N603 WeakPolarHBondContact CD1-ND2 3.41Å; L600-N603 PolarHBondContact O-N 2.78Å; L601-N603 VanDerWaalsContact C-N 3.29Å; L601-N603 PolarHBondContact O-N 2.86Å; N603-L607 PolarHBondContact O-N 2.71Å; N603-V643 HydrophobicContact CB-CG1 3.63Å; N603-L647 HydrophobicContact CB-CD1 3.99Å; N603-L647 HydrophobicContact CB-CD2 4.04Å; N603-L647 HydrophobicContact CB-CG 4.21Å |
| 604 | F | 85.2 | Confident | 87.9 | Confident | 8 Ų | 8 | 13.4 Ų | 13.4 | 4% | 0.035 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 168.1 | -79.1 | -75.7 | 0 | 0 | 0 | 111.8 | L600 L601 L606 L607 Y608 L647 F648 V653 L660 | L600-F604 HydrophobicContact CB-CD2 4.22Å; L600-F604 HydrophobicContact CB-CE2 4.18Å; L600-F604 WeakPolarHBondContact O-CD2 2.99Å; L600-F604 PolarHBondContact O-N 3.24Å; L601-F604 PolarHBondContact O-N 3.02Å; F604-L606 VanDerWaalsContact C-N 3.29Å; F604-L606 PolarHBondContact O-N 3.07Å; F604-L607 PolarHBondContact O-N 3.05Å; F604-Y608 HydrophobicContact CB-CE2 4.3Å; F604-Y608 WeakPolarHBondContact O-CD2 3.4Å; F604-Y608 PolarHBondContact O-N 3.12Å; F604-L647 HydrophobicContact CD1-CD1 4.28Å; F604-L647 HydrophobicContact CD2-CD1 4.3Å; F604-L647 HydrophobicContact CD2-CD2 4.27Å; F604-L647 HydrophobicContact CE1-CD1 4.22Å; F604-L647 HydrophobicContact CE2-CD1 4.24Å; F604-L647 HydrophobicContact CE2-CD2 3.84Å; F604-L647 HydrophobicContact CG-CD1 4.32Å; F604-L647 HydrophobicContact CZ-CD1 4.2Å; F604-L647 HydrophobicContact CZ-CD2 4.29Å; F604-F648 HydrophobicContact CE1-CE1 4.4Å; F604-F648 HydrophobicContact CE1-CZ 4.26Å; F604-V653 HydrophobicContact CE2-CG1 3.88Å; F604-V653 HydrophobicContact CZ-CG1 3.71Å; F604-L660 HydrophobicContact CD2-CD1 3.56Å; F604-L660 HydrophobicContact CE2-CD1 3.34Å; F604-L660 HydrophobicContact CZ-CD1 4.18Å |
| 605 | Q | 86.4 | Confident | 87.7 | Confident | 3 Ų | 3 | 14.4 Ų | 14.4 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.6 | -34.6 | 178.6 | -72.6 | 170.6 | -48.9 | 0 | 0 | 112.7 | L200 S204 H207 L601 P602 L609 L664 | L200-Q605 HydrophobicContact CD1-CB 4.32Å; L200-Q605 HydrophobicContact CD1-CG 4.13Å; S204-Q605 WeakPolarHBondContact OG-CB 3.44Å; S204-Q605 PolarHBondContact OG-NE2 2.92Å; S204-Q605 PolarHBondContact OG-OE1 2.9Å; H207-Q605 PolarHBondContact ND1-NE2 3.34Å; L601-Q605 VanDerWaalsContact O-CG 3.28Å; L601-Q605 WeakPolarHBondContact O-CG 3.35Å; L601-Q605 PolarHBondContact O-N 2.88Å; L601-Q605 PolarHBondContact O-OE1 2.9Å; P602-Q605 WeakPolarHBondContact O-CB 3.2Å; P602-Q605 PolarHBondContact O-N 2.81Å; P602-Q605 VanDerWaalsContact O-N 3.17Å; Q605-L609 WeakPolarHBondContact O-CB 3.44Å; Q605-L609 PolarHBondContact O-N 2.89Å; Q605-L664 HydrophobicContact CG-CD2 3.38Å |
| 606 | L | 88.4 | Confident | 87.4 | Confident | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 170.4 | -177 | 79.5 | 0 | 0 | 0 | 112.4 | L302 F305 P602 F604 Y608 L609 A610 L636 T639 V643 | L302-L606 HydrophobicContact CD2-CD1 4.28Å; F305-L606 HydrophobicContact CB-CD1 4.4Å; F305-L606 HydrophobicContact CB-CD2 3.79Å; F305-L606 HydrophobicContact CB-CG 4.47Å; F305-L606 HydrophobicContact CD1-CB 3.88Å; F305-L606 HydrophobicContact CD1-CD1 4.45Å; F305-L606 HydrophobicContact CD2-CD1 3.87Å; F305-L606 HydrophobicContact CE1-CB 4.12Å; F305-L606 HydrophobicContact CE2-CD1 4.13Å; F305-L606 HydrophobicContact CG-CB 4.21Å; F305-L606 HydrophobicContact CG-CD1 4.02Å; F305-L606 HydrophobicContact CG-CD2 4.21Å; F305-L606 HydrophobicContact CG-CG 4.36Å; P602-L606 PolarHBondContact O-N 3.03Å; F604-L606 VanDerWaalsContact C-N 3.29Å; F604-L606 PolarHBondContact O-N 3.07Å; L606-Y608 VanDerWaalsContact C-N 3.34Å; L606-Y608 PolarHBondContact O-N 2.86Å; L606-L609 WeakPolarHBondContact O-CB 3.44Å; L606-L609 PolarHBondContact O-N 2.97Å; L606-L609 VanDerWaalsContact O-N 3.16Å; L606-A610 PolarHBondContact O-N 3.32Å; L606-L636 HydrophobicContact CD1-CD2 4.06Å; L606-T639 HydrophobicContact CD2-CG2 3.72Å; L606-V643 HydrophobicContact CD2-CB 4.19Å; L606-V643 HydrophobicContact CD2-CG1 4.38Å; L606-V643 HydrophobicContact CD2-CG2 3.83Å |
| 607 | L | 85.1 | Confident | 87.4 | Confident | 18 Ų | 18 | 16.1 Ų | 16.1 | 9% | 0.094 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | 179.8 | -63.8 | -177.8 | 0 | 0 | 0 | 111.1 | N603 F604 L609 A610 D611 R640 L647 F648 | N603-L607 PolarHBondContact O-N 2.71Å; F604-L607 PolarHBondContact O-N 3.05Å; L607-L609 VanDerWaalsContact C-N 3.35Å; L607-L609 PolarHBondContact O-N 3.45Å; L607-A610 PolarHBondContact O-N 2.99Å; L607-D611 PolarHBondContact O-N 2.98Å; L607-D611 VanDerWaalsContact O-N 3.12Å; L607-R640 HydrophobicContact CD2-CG 3.82Å; L607-L647 HydrophobicContact CD1-CD1 3.8Å; L607-F648 HydrophobicContact CD1-CE2 4.1Å |
| 608 | Y | 82.5 | Confident | 87.3 | Confident | 64 Ų | 64 | 18.8 Ų | 18.8 | 25% | 0.251 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 173.1 | -71.1 | -67.1 | 0 | 0 | 0 | 112.7 | F604 L606 A610 D611 H612 L664 | F604-Y608 HydrophobicContact CB-CE2 4.3Å; F604-Y608 WeakPolarHBondContact O-CD2 3.4Å; F604-Y608 PolarHBondContact O-N 3.12Å; L606-Y608 VanDerWaalsContact C-N 3.34Å; L606-Y608 PolarHBondContact O-N 2.86Å; Y608-A610 VanDerWaalsContact C-N 3.34Å; Y608-A610 PolarHBondContact O-N 3.03Å; Y608-D611 PolarHBondContact O-N 2.79Å; Y608-H612 PolarHBondContact O-N 3.2Å; Y608-H612 PolarHBondContact O-ND1 2.74Å; Y608-L664 HydrophobicContact CD2-CD1 3.76Å; Y608-L664 HydrophobicContact CE2-CD1 3.23Å |
| 609 | L | 86 | Confident | 87.1 | Confident | 5 Ų | 5 | 21.8 Ų | 21.8 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.7 | 178.4 | 61 | 0 | 0 | 0 | 111 | I197 L200 L201 L302 Q605 L606 L607 H612 I613 | I197-L609 HydrophobicContact CB-CD1 4.49Å; I197-L609 HydrophobicContact CG1-CD1 4.17Å; I197-L609 HydrophobicContact CG2-CD1 3.81Å; L200-L609 HydrophobicContact CD2-CB 3.96Å; L200-L609 HydrophobicContact CD2-CD1 4.5Å; L201-L609 HydrophobicContact CD2-CD2 4.24Å; L302-L609 HydrophobicContact CD2-CD2 4.2Å; Q605-L609 WeakPolarHBondContact O-CB 3.44Å; Q605-L609 PolarHBondContact O-N 2.89Å; L606-L609 WeakPolarHBondContact O-CB 3.44Å; L606-L609 PolarHBondContact O-N 2.97Å; L606-L609 VanDerWaalsContact O-N 3.16Å; L607-L609 VanDerWaalsContact C-N 3.35Å; L607-L609 PolarHBondContact O-N 3.45Å; L609-H612 PolarHBondContact O-N 3.28Å; L609-I613 HydrophobicContact CD1-CD1 3.98Å; L609-I613 HydrophobicContact CD1-CG1 4.29Å; L609-I613 HydrophobicContact CG-CD1 3.87Å; L609-I613 VanDerWaalsContact O-CG1 3.24Å; L609-I613 WeakPolarHBondContact O-CG1 3.43Å; L609-I613 PolarHBondContact O-N 2.54Å |
| 610 | A | 86.9 | Confident | 86.7 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L606 L607 Y608 H612 I613 E614 R640 | L606-A610 PolarHBondContact O-N 3.32Å; L607-A610 PolarHBondContact O-N 2.99Å; Y608-A610 VanDerWaalsContact C-N 3.34Å; Y608-A610 PolarHBondContact O-N 3.03Å; A610-H612 VanDerWaalsContact C-N 3.32Å; A610-H612 PolarHBondContact O-N 3.44Å; A610-I613 PolarHBondContact O-N 2.82Å; A610-E614 PolarHBondContact O-N 2.69Å; A610-R640 HydrophobicContact CB-CG 4.39Å |
| 611 | D | 84.1 | Confident | 86.3 | Confident | 68 Ų | 68 | 28.9 Ų | 28.9 | 36% | 0.364 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.4 | -40 | 176.1 | -72.6 | -34 | 0 | 0 | 0 | 112.5 | L607 Y608 A615 R640 | L607-D611 PolarHBondContact O-N 2.98Å; L607-D611 VanDerWaalsContact O-N 3.12Å; Y608-D611 PolarHBondContact O-N 2.79Å; D611-A615 WeakPolarHBondContact O-CB 3.37Å; D611-A615 PolarHBondContact O-N 3.28Å; D611-R640 IonicContact OD1-CZ 2.89Å; D611-R640 IonicContact OD1-NH1 3.85Å; D611-R640 IonicContact OD1-NH2 2.91Å; D611-R640 PolarHBondContact OD1-NH2 2.92Å |
| 612 | H | 84.2 | Confident | 85.6 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.2 | -31.7 | 178.3 | -72.2 | 71.9 | 0 | 0 | 0 | 112.3 | I197 Y608 L609 A610 L616 | I197-H612 HydrophobicContact CD1-CB 4.17Å; I197-H612 HydrophobicContact CG1-CB 3.76Å; Y608-H612 PolarHBondContact O-N 3.2Å; Y608-H612 PolarHBondContact O-ND1 2.74Å; L609-H612 PolarHBondContact O-N 3.28Å; A610-H612 VanDerWaalsContact C-N 3.32Å; A610-H612 PolarHBondContact O-N 3.44Å; H612-L616 VanDerWaalsContact O-CB 3.26Å; H612-L616 WeakPolarHBondContact O-CB 3.42Å; H612-L616 PolarHBondContact O-N 3.2Å |
| 613 | I | 89 | Confident | 84.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.3 | -41.2 | 174.3 | -66.9 | 168.1 | 0 | 0 | 0 | 110.8 | I197 L293 L609 A610 A615 L616 H617 L629 V632 I633 L636 | I197-I613 HydrophobicContact CD1-CG1 4.02Å; L293-I613 HydrophobicContact CD1-CD1 3.96Å; L293-I613 HydrophobicContact CD1-CG1 3.83Å; L293-I613 HydrophobicContact CD2-CD1 4.04Å; L609-I613 HydrophobicContact CD1-CD1 3.98Å; L609-I613 HydrophobicContact CD1-CG1 4.29Å; L609-I613 HydrophobicContact CG-CD1 3.87Å; L609-I613 VanDerWaalsContact O-CG1 3.24Å; L609-I613 WeakPolarHBondContact O-CG1 3.43Å; L609-I613 PolarHBondContact O-N 2.54Å; A610-I613 PolarHBondContact O-N 2.82Å; I613-A615 VanDerWaalsContact C-N 3.32Å; I613-A615 PolarHBondContact O-N 2.83Å; I613-L616 PolarHBondContact O-N 2.77Å; I613-H617 WeakPolarHBondContact O-CB 2.98Å; I613-H617 PolarHBondContact O-N 2.59Å; I613-L629 HydrophobicContact CG2-CD2 4.28Å; I613-V632 HydrophobicContact CD1-CG1 4.13Å; I613-V632 HydrophobicContact CG2-CG1 3.89Å; I613-I633 HydrophobicContact CG2-CD1 4.26Å; I613-I633 HydrophobicContact CG2-CG1 3.75Å; I613-L636 HydrophobicContact CD1-CD1 3.74Å |
| 614 | E | 88.9 | Confident | 84.1 | Confident | 74 Ų | 74 | 42.3 Ų | 42.3 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 174 | -75.1 | 172.5 | -176 | 0 | 0 | 111.7 | A610 A618 I633 R640 | A610-E614 PolarHBondContact O-N 2.69Å; E614-A618 PolarHBondContact O-N 3.31Å; E614-A618 VanDerWaalsContact O-N 3.14Å; E614-I633 HydrophobicContact CB-CD1 4.46Å; E614-I633 HydrophobicContact CG-CD1 3.85Å; E614-I633 HydrophobicContact CG-CG1 3.93Å; E614-I633 HydrophobicContact CG-CG2 4.08Å; E614-R640 IonicContact OE1-CZ 3.66Å; E614-R640 IonicContact OE1-NH1 2.68Å; E614-R640 PolarHBondContact OE1-NH1 3.21Å; E614-R640 IonicContact OE2-CZ 3.26Å; E614-R640 IonicContact OE2-NH1 2.84Å; E614-R640 PolarHBondContact OE2-NH1 3.1Å |
| 615 | A | 85 | Confident | 84 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 17% | 0.174 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.9 | -37.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y193 D611 I613 A618 H619 | Y193-A615 HydrophobicContact CD1-CB 3.65Å; Y193-A615 HydrophobicContact CD2-CB 4.43Å; Y193-A615 HydrophobicContact CE1-CB 3.31Å; Y193-A615 HydrophobicContact CE2-CB 4.17Å; Y193-A615 HydrophobicContact CG-CB 4.22Å; D611-A615 WeakPolarHBondContact O-CB 3.37Å; D611-A615 PolarHBondContact O-N 3.28Å; I613-A615 VanDerWaalsContact C-N 3.32Å; I613-A615 PolarHBondContact O-N 2.83Å; A615-A618 WeakPolarHBondContact O-CB 3.4Å; A615-A618 PolarHBondContact O-N 3.12Å; A615-H619 PolarHBondContact O-N 3.35Å; A615-H619 PolarHBondContact O-ND1 3.04Å |
| 616 | L | 86.7 | Confident | 84 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 174.5 | -168.9 | 73.8 | 0 | 0 | 0 | 110.9 | Y190 A194 I197 I289 H612 I613 A618 H619 A620 L629 | Y190-L616 HydrophobicContact CD1-CD1 4.16Å; Y190-L616 HydrophobicContact CD2-CD1 3.48Å; Y190-L616 VanDerWaalsContact CD2-CD1 3.48Å; Y190-L616 HydrophobicContact CD2-CG 3.81Å; Y190-L616 HydrophobicContact CE1-CD1 4.11Å; Y190-L616 HydrophobicContact CE2-CD1 3.47Å; Y190-L616 VanDerWaalsContact CE2-CD1 3.47Å; Y190-L616 HydrophobicContact CE2-CD2 4Å; Y190-L616 HydrophobicContact CE2-CG 3.47Å; Y190-L616 VanDerWaalsContact CE2-CG 3.47Å; Y190-L616 HydrophobicContact CG-CD1 3.82Å; Y190-L616 WeakPolarHBondContact O-CD1 3.29Å; A194-L616 HydrophobicContact CB-CD1 4.14Å; I197-L616 HydrophobicContact CD1-CD2 4.07Å; I289-L616 HydrophobicContact CB-CD2 4.47Å; H612-L616 VanDerWaalsContact O-CB 3.26Å; H612-L616 WeakPolarHBondContact O-CB 3.42Å; H612-L616 PolarHBondContact O-N 3.2Å; I613-L616 PolarHBondContact O-N 2.77Å; L616-A618 VanDerWaalsContact C-N 3.29Å; L616-A618 PolarHBondContact O-N 2.76Å; L616-H619 CarbonylContact O-C 3.58Å; L616-H619 PolarHBondContact O-N 3.03Å; L616-H619 VanDerWaalsContact O-N 3.13Å; L616-A620 PolarHBondContact O-N 3.17Å; L616-L629 HydrophobicContact CB-CD1 4.19Å; L616-L629 HydrophobicContact CD2-CD1 3.82Å; L616-L629 HydrophobicContact CD2-CD2 3.89Å; L616-L629 HydrophobicContact CG-CD1 3.81Å |
| 617 | H | 90.6 | Very high | 83.8 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 22% | 0.218 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -36.4 | 173.4 | 163.3 | -104.4 | 0 | 0 | 0 | 112.7 | I613 H619 R626 L629 I633 | I613-H617 WeakPolarHBondContact O-CB 2.98Å; I613-H617 PolarHBondContact O-N 2.59Å; H617-H619 VanDerWaalsContact C-N 3.3Å; H617-H619 PolarHBondContact O-N 3.03Å; H617-R626 VanDerWaalsContact CD2-CG 3.45Å; H617-R626 WeakPolarHBondContact CD2-CG 3.41Å; H617-R626 PolarHBondContact CD2-O 3.18Å; H617-L629 HydrophobicContact CB-CB 3.93Å; H617-L629 HydrophobicContact CB-CD1 4.23Å; H617-I633 HydrophobicContact CB-CD1 3.77Å |
| 618 | A | 87.6 | Confident | 83.7 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 52% | 0.521 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.6 | -24 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E614 A615 L616 | E614-A618 PolarHBondContact O-N 3.31Å; E614-A618 VanDerWaalsContact O-N 3.14Å; A615-A618 WeakPolarHBondContact O-CB 3.4Å; A615-A618 PolarHBondContact O-N 3.12Å; L616-A618 VanDerWaalsContact C-N 3.29Å; L616-A618 PolarHBondContact O-N 2.76Å |
| 619 | H | 86.1 | Confident | 84.1 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 30% | 0.301 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -107.1 | 2.2 | -179.5 | -61.3 | 80.5 | 0 | 0 | 0 | 113.6 | A188 Y193 A615 L616 H617 T621 | A188-H619 PolarHBondContact O-CD2 3.45Å; Y193-H619 AromaticContact CD2-ND1 3.85Å; Y193-H619 AromaticContact CE2-CE1 3.42Å; Y193-H619 VanDerWaalsContact CE2-CE1 3.42Å; Y193-H619 WeakPolarHBondContact CE2-CE1 3.27Å; Y193-H619 AromaticContact CE2-ND1 3.45Å; Y193-H619 WeakPolarHBondContact CE2-ND1 3.25Å; Y193-H619 AromaticContact CE2-NE2 3.99Å; A615-H619 PolarHBondContact O-N 3.35Å; A615-H619 PolarHBondContact O-ND1 3.04Å; L616-H619 CarbonylContact O-C 3.58Å; L616-H619 PolarHBondContact O-N 3.03Å; L616-H619 VanDerWaalsContact O-N 3.13Å; H617-H619 VanDerWaalsContact C-N 3.3Å; H617-H619 PolarHBondContact O-N 3.03Å; H619-T621 PolarHBondContact O-N 3.44Å |
| 620 | A | 84.2 | Confident | 84.4 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | trans | -69.9 | 121.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y190 L616 E625 R626 L629 | Y190-A620 HydrophobicContact CD2-CB 4.19Å; Y190-A620 HydrophobicContact CE2-CB 4.31Å; L616-A620 PolarHBondContact O-N 3.17Å; A620-E625 HydrophobicContact CB-CG 4.13Å; A620-R626 HydrophobicContact CB-CB 4.23Å; A620-L629 HydrophobicContact CB-CD1 4.43Å | ||
| 621 | T | 79.5 | Confident | 84.5 | Confident | 138 Ų | 138 | 55.2 Ų | 55.2 | 85% | 0.847 | 29% | 0.29 | S | S | * | . | trans | -89.6 | -18.8 | 179.8 | 52.1 | 0 | 0 | 0 | 0 | 114 | H619 | H619-T621 PolarHBondContact O-N 3.44Š| ||
| 622 | E | 72.9 | Confident | 84.8 | Confident | 104 Ų | 104 | 52 Ų | 52 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -100.2 | 126.8 | 177 | -66.5 | -167.3 | -161.1 | 0 | 0 | 110.6 | L288 N624 E625 R626 | L288-E622 HydrophobicContact CD1-CB 4.33Å; L288-E622 WeakPolarHBondContact CD1-OE2 3.39Å; E622-N624 VanDerWaalsContact C-N 3.29Å; E622-N624 PolarHBondContact O-N 3.25Å; E622-E625 PolarHBondContact O-N 2.97Å; E622-R626 PolarHBondContact O-N 3.03Å |
| 623 | E | 76.3 | Confident | 85.3 | Confident | 138 Ų | 138 | 52.9 Ų | 52.9 | 65% | 0.645 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.1 | -30.1 | -169.8 | -169.1 | 62.8 | -167 | 0 | 0 | 113.2 | R626 S627 | E623-R626 WeakPolarHBondContact O-CB 3.48Å; E623-R626 PolarHBondContact O-N 3.34Å; E623-S627 WeakPolarHBondContact O-CB 3.47Å; E623-S627 PolarHBondContact O-N 3.2Å |
| 624 | N | 71.4 | Confident | 85.4 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.3 | -40.4 | 177.1 | 174.5 | 26.5 | 0 | 0 | 0 | 112.8 | E622 R626 S627 T628 D1120 | E622-N624 VanDerWaalsContact C-N 3.29Å; E622-N624 PolarHBondContact O-N 3.25Å; N624-R626 VanDerWaalsContact C-N 3.27Å; N624-R626 PolarHBondContact O-N 3.12Å; N624-S627 PolarHBondContact O-N 3.18Å; N624-T628 WeakPolarHBondContact O-CB 3.45Å; N624-T628 PolarHBondContact O-N 3.34Å; N624-T628 PolarHBondContact O-OG1 3.48Å; N624-D1120 WeakPolarHBondContact CB-OD2 3.27Å; N624-D1120 WeakPolarHBondContact ND2-CB 3.39Å; N624-D1120 PolarHBondContact ND2-OD2 2.8Å |
| 625 | E | 82 | Confident | 85.5 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 2% | 0.023 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 168.3 | 171.7 | 68.4 | 163.8 | 0 | 0 | 110.2 | Y190 L288 I289 G290 A620 E622 S627 T628 L629 | Y190-E625 HydrophobicContact CE2-CG 3.9Å; Y190-E625 PolarHBondContact OH-OE1 2.89Å; L288-E625 HydrophobicContact CB-CB 4.05Å; L288-E625 HydrophobicContact CB-CG 4.02Å; L288-E625 HydrophobicContact CD1-CB 4.06Å; L288-E625 HydrophobicContact CD2-CB 3.9Å; L288-E625 HydrophobicContact CD2-CG 3.89Å; L288-E625 HydrophobicContact CG-CB 4.2Å; L288-E625 HydrophobicContact CG-CG 4.42Å; I289-E625 PolarHBondContact N-OE1 3.5Å; G290-E625 VanDerWaalsContact CA-OE2 3.24Å; G290-E625 WeakPolarHBondContact CA-OE2 3.23Å; G290-E625 PolarHBondContact N-OE1 2.91Å; G290-E625 PolarHBondContact N-OE2 2.88Å; G290-E625 VanDerWaalsContact N-OE2 3.1Å; A620-E625 HydrophobicContact CB-CG 4.13Å; E622-E625 PolarHBondContact O-N 2.97Å; E625-S627 VanDerWaalsContact C-N 3.33Å; E625-S627 PolarHBondContact O-N 3.04Å; E625-T628 PolarHBondContact O-N 3.36Å; E625-L629 HydrophobicContact CG-CD1 3.78Å; E625-L629 HydrophobicContact CG-CG 4.13Å; E625-L629 WeakPolarHBondContact O-CB 3.29Å; E625-L629 WeakPolarHBondContact O-CG 3.46Å; E625-L629 PolarHBondContact O-N 3.32Å; E625-L629 WeakPolarHBondContact OE1-CD1 3.45Å |
| 626 | R | 86.2 | Confident | 85.8 | Confident | 102 Ų | 102 | 56.1 Ų | 56.1 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 177 | -162.4 | -179.4 | -166.5 | 173.1 | 9.5 | 112 | H617 A620 E622 E623 N624 K630 | H617-R626 VanDerWaalsContact CD2-CG 3.45Å; H617-R626 WeakPolarHBondContact CD2-CG 3.41Å; H617-R626 PolarHBondContact CD2-O 3.18Å; A620-R626 HydrophobicContact CB-CB 4.23Å; E622-R626 PolarHBondContact O-N 3.03Å; E623-R626 WeakPolarHBondContact O-CB 3.48Å; E623-R626 PolarHBondContact O-N 3.34Å; N624-R626 VanDerWaalsContact C-N 3.27Å; N624-R626 PolarHBondContact O-N 3.12Å; R626-K630 VanDerWaalsContact O-CB 3.3Å; R626-K630 WeakPolarHBondContact O-CB 3.22Å; R626-K630 PolarHBondContact O-N 2.91Å |
| 627 | S | 84.5 | Confident | 86 | Confident | 58 Ų | 58 | 59 Ų | 59 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 172.8 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | E623 N624 E625 K630 D631 | E623-S627 WeakPolarHBondContact O-CB 3.47Å; E623-S627 PolarHBondContact O-N 3.2Å; N624-S627 PolarHBondContact O-N 3.18Å; E625-S627 VanDerWaalsContact C-N 3.33Å; E625-S627 PolarHBondContact O-N 3.04Å; S627-K630 WeakPolarHBondContact O-CB 3.3Å; S627-K630 PolarHBondContact O-N 2.81Å; S627-D631 PolarHBondContact O-N 3.5Å |
| 628 | T | 84.1 | Confident | 85.9 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | -178.9 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | G290 I294 N624 E625 K630 D631 V632 | G290-T628 VanDerWaalsContact C-CG2 3.46Å; G290-T628 WeakPolarHBondContact O-CG2 3.3Å; I294-T628 HydrophobicContact CB-CG2 3.85Å; I294-T628 HydrophobicContact CG1-CG2 4.34Å; I294-T628 HydrophobicContact CG2-CG2 3.93Å; N624-T628 WeakPolarHBondContact O-CB 3.45Å; N624-T628 PolarHBondContact O-N 3.34Å; N624-T628 PolarHBondContact O-OG1 3.48Å; E625-T628 PolarHBondContact O-N 3.36Å; T628-K630 VanDerWaalsContact C-N 3.33Å; T628-K630 PolarHBondContact O-N 2.96Å; T628-D631 PolarHBondContact O-N 3.34Å; T628-V632 WeakPolarHBondContact O-CG2 3.41Å; T628-V632 PolarHBondContact O-N 2.88Å |
| 629 | L | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.5 | -33.2 | 175.8 | -66.9 | 175.2 | 0 | 0 | 0 | 112.4 | Y190 G290 L293 I613 L616 H617 A620 E625 V632 I633 | Y190-L629 HydrophobicContact CE2-CD1 4.31Å; G290-L629 VanDerWaalsContact CA-CD2 3.46Å; L293-L629 HydrophobicContact CD1-CD2 3.92Å; I613-L629 HydrophobicContact CG2-CD2 4.28Å; L616-L629 HydrophobicContact CB-CD1 4.19Å; L616-L629 HydrophobicContact CD2-CD1 3.82Å; L616-L629 HydrophobicContact CD2-CD2 3.89Å; L616-L629 HydrophobicContact CG-CD1 3.81Å; H617-L629 HydrophobicContact CB-CB 3.93Å; H617-L629 HydrophobicContact CB-CD1 4.23Å; A620-L629 HydrophobicContact CB-CD1 4.43Å; E625-L629 HydrophobicContact CG-CD1 3.78Å; E625-L629 HydrophobicContact CG-CG 4.13Å; E625-L629 WeakPolarHBondContact O-CB 3.29Å; E625-L629 WeakPolarHBondContact O-CG 3.46Å; E625-L629 PolarHBondContact O-N 3.32Å; E625-L629 WeakPolarHBondContact OE1-CD1 3.45Å; L629-V632 WeakPolarHBondContact O-CB 3.46Å; L629-V632 PolarHBondContact O-N 3.41Å; L629-I633 VanDerWaalsContact O-CD1 3.31Å; L629-I633 WeakPolarHBondContact O-CD1 3.37Å; L629-I633 WeakPolarHBondContact O-CG1 3.47Å; L629-I633 PolarHBondContact O-N 2.9Å |
| 630 | K | 92 | Very high | 86.3 | Confident | 133 Ų | 133 | 60.5 Ų | 60.5 | 58% | 0.578 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | 173.7 | -176.4 | -173.8 | 173.5 | -166.6 | 0 | 111.8 | R626 S627 T628 I633 S634 | R626-K630 VanDerWaalsContact O-CB 3.3Å; R626-K630 WeakPolarHBondContact O-CB 3.22Å; R626-K630 PolarHBondContact O-N 2.91Å; S627-K630 WeakPolarHBondContact O-CB 3.3Å; S627-K630 PolarHBondContact O-N 2.81Å; T628-K630 VanDerWaalsContact C-N 3.33Å; T628-K630 PolarHBondContact O-N 2.96Å; K630-I633 PolarHBondContact O-N 2.94Å; K630-S634 PolarHBondContact O-N 3.38Å |
| 631 | D | 88.9 | Confident | 86.5 | Confident | 56 Ų | 56 | 63 Ų | 63 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 173.5 | -75.7 | 0.9 | 0 | 0 | 0 | 111.1 | I294 S627 T628 I633 S634 L635 R1116 | I294-D631 HydrophobicContact CD1-CB 3.82Å; S627-D631 PolarHBondContact O-N 3.5Å; T628-D631 PolarHBondContact O-N 3.34Å; D631-I633 PolarHBondContact O-N 3.44Å; D631-S634 WeakPolarHBondContact O-CB 3.47Å; D631-S634 PolarHBondContact O-N 3.33Å; D631-L635 WeakPolarHBondContact O-CG 3.44Å; D631-L635 PolarHBondContact O-N 3.5Å; D631-R1116 IonicContact OD2-NH1 2.73Å; D631-R1116 PolarHBondContact OD2-NH1 3.18Å |
| 632 | V | 91.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.6 | -48.3 | 171.7 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | L293 I294 I613 T628 L629 S634 L635 L636 | L293-V632 HydrophobicContact CB-CG1 4.04Å; L293-V632 HydrophobicContact CB-CG2 3.84Å; I294-V632 HydrophobicContact CB-CG2 3.86Å; I294-V632 HydrophobicContact CD1-CG2 3.86Å; I294-V632 HydrophobicContact CG1-CG2 4.46Å; I613-V632 HydrophobicContact CD1-CG1 4.13Å; I613-V632 HydrophobicContact CG2-CG1 3.89Å; T628-V632 WeakPolarHBondContact O-CG2 3.41Å; T628-V632 PolarHBondContact O-N 2.88Å; L629-V632 WeakPolarHBondContact O-CB 3.46Å; L629-V632 PolarHBondContact O-N 3.41Å; V632-S634 VanDerWaalsContact C-N 3.31Å; V632-S634 PolarHBondContact O-N 3.04Å; V632-L635 PolarHBondContact O-N 3.48Å; V632-L636 HydrophobicContact CG1-CD1 4.02Å; V632-L636 WeakPolarHBondContact O-CB 3.28Å; V632-L636 PolarHBondContact O-N 3.18Å |
| 633 | I | 93.4 | Very high | 87.8 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 178.6 | -67.3 | 157.6 | 0 | 0 | 0 | 110.7 | I613 E614 H617 L629 K630 D631 L636 S637 | I613-I633 HydrophobicContact CG2-CD1 4.26Å; I613-I633 HydrophobicContact CG2-CG1 3.75Å; E614-I633 HydrophobicContact CB-CD1 4.46Å; E614-I633 HydrophobicContact CG-CD1 3.85Å; E614-I633 HydrophobicContact CG-CG1 3.93Å; E614-I633 HydrophobicContact CG-CG2 4.08Å; H617-I633 HydrophobicContact CB-CD1 3.77Å; L629-I633 VanDerWaalsContact O-CD1 3.31Å; L629-I633 WeakPolarHBondContact O-CD1 3.37Å; L629-I633 WeakPolarHBondContact O-CG1 3.47Å; L629-I633 PolarHBondContact O-N 2.9Å; K630-I633 PolarHBondContact O-N 2.94Å; D631-I633 PolarHBondContact O-N 3.44Å; I633-L636 PolarHBondContact O-N 3.35Å; I633-S637 PolarHBondContact O-N 3.36Å |
| 634 | S | 92.2 | Very high | 88.2 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.7 | -48.8 | 176.2 | -169.5 | 0 | 0 | 0 | 0 | 111.8 | K630 D631 V632 S637 | K630-S634 PolarHBondContact O-N 3.38Å; D631-S634 WeakPolarHBondContact O-CB 3.47Å; D631-S634 PolarHBondContact O-N 3.33Å; V632-S634 VanDerWaalsContact C-N 3.31Å; V632-S634 PolarHBondContact O-N 3.04Å; S634-S637 WeakPolarHBondContact O-CB 3.37Å; S634-S637 PolarHBondContact O-N 3.13Å; S634-S637 PolarHBondContact O-OG 3.15Å |
| 635 | L | 90.5 | Very high | 89 | Confident | 79 Ų | 79 | 51.2 Ų | 51.2 | 41% | 0.414 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 177.4 | -67.9 | 167.7 | 0 | 0 | 0 | 112.3 | I294 A297 E298 D631 V632 S637 | I294-L635 HydrophobicContact CD1-CD1 3.89Å; A297-L635 HydrophobicContact CB-CB 3.88Å; A297-L635 HydrophobicContact CB-CD1 3.68Å; A297-L635 HydrophobicContact CB-CG 4.44Å; E298-L635 HydrophobicContact CG-CD1 3.78Å; D631-L635 WeakPolarHBondContact O-CG 3.44Å; D631-L635 PolarHBondContact O-N 3.5Å; V632-L635 PolarHBondContact O-N 3.48Å; L635-S637 VanDerWaalsContact C-N 3.3Å; L635-S637 PolarHBondContact O-N 3.4Å |
| 636 | L | 91.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.4 | -26.5 | 176.5 | -95.3 | 169.5 | 0 | 0 | 0 | 113.9 | L302 L606 I613 V632 I633 K638 T639 R640 | L302-L636 HydrophobicContact CB-CD2 4.08Å; L302-L636 HydrophobicContact CD1-CD1 4.18Å; L302-L636 HydrophobicContact CD1-CD2 3.95Å; L302-L636 HydrophobicContact CD1-CG 3.97Å; L302-L636 HydrophobicContact CG-CD2 4.49Å; L606-L636 HydrophobicContact CD1-CD2 4.06Å; I613-L636 HydrophobicContact CD1-CD1 3.74Å; V632-L636 HydrophobicContact CG1-CD1 4.02Å; V632-L636 WeakPolarHBondContact O-CB 3.28Å; V632-L636 PolarHBondContact O-N 3.18Å; I633-L636 PolarHBondContact O-N 3.35Å; L636-K638 VanDerWaalsContact C-N 3.32Å; L636-K638 PolarHBondContact O-N 3.01Å; L636-T639 PolarHBondContact O-N 3.22Å; L636-T639 VanDerWaalsContact O-N 3.11Å; L636-R640 WeakPolarHBondContact O-CB 3.27Å; L636-R640 PolarHBondContact O-N 3.11Å |
| 637 | S | 90.5 | Very high | 89 | Confident | 60 Ų | 60 | 46.9 Ų | 46.9 | 42% | 0.42 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.3 | -42.2 | -169.4 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | I633 S634 L635 S641 | I633-S637 PolarHBondContact O-N 3.36Å; S634-S637 WeakPolarHBondContact O-CB 3.37Å; S634-S637 PolarHBondContact O-N 3.13Å; S634-S637 PolarHBondContact O-OG 3.15Å; L635-S637 VanDerWaalsContact C-N 3.3Å; L635-S637 PolarHBondContact O-N 3.4Å; S637-S641 WeakPolarHBondContact O-CB 2.97Å; S637-S641 PolarHBondContact O-N 2.97Å; S637-S641 PolarHBondContact O-OG 3.04Å |
| 638 | K | 89.5 | Confident | 88.9 | Confident | 136 Ų | 136 | 48.1 Ų | 48.1 | 59% | 0.591 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.5 | -49.6 | 177.7 | -173.3 | -179.9 | 179.1 | -173.5 | 0 | 111 | L636 S641 T642 | L636-K638 VanDerWaalsContact C-N 3.32Å; L636-K638 PolarHBondContact O-N 3.01Å; K638-S641 PolarHBondContact O-N 3.48Å; K638-T642 PolarHBondContact O-N 2.84Å; K638-T642 PolarHBondContact O-OG1 3.31Å |
| 639 | T | 90.8 | Very high | 88.9 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59 | -48.5 | 177.5 | -46.2 | 0 | 0 | 0 | 0 | 111.6 | L302 Y303 A306 L606 L636 S641 T642 V643 | L302-T639 VanDerWaalsContact O-CG2 3.28Å; L302-T639 WeakPolarHBondContact O-CG2 3.47Å; Y303-T639 HydrophobicContact CD2-CG2 4.48Å; A306-T639 HydrophobicContact CB-CG2 4.07Å; L606-T639 HydrophobicContact CD2-CG2 3.72Å; L636-T639 PolarHBondContact O-N 3.22Å; L636-T639 VanDerWaalsContact O-N 3.11Å; T639-S641 VanDerWaalsContact C-N 3.26Å; T639-S641 PolarHBondContact O-N 2.82Å; T639-T642 PolarHBondContact O-N 3.3Å; T639-V643 HydrophobicContact CG2-CG2 4.35Å; T639-V643 WeakPolarHBondContact O-CB 3.04Å; T639-V643 WeakPolarHBondContact O-CG2 3.43Å; T639-V643 PolarHBondContact O-N 3.4Å |
| 640 | R | 90 | Very high | 88.4 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.7 | -45 | 176.8 | -174.3 | -175.2 | -179.7 | 160.7 | 9.4 | 110.7 | L607 A610 D611 E614 L636 S644 | L607-R640 HydrophobicContact CD2-CG 3.82Å; A610-R640 HydrophobicContact CB-CG 4.39Å; D611-R640 IonicContact OD1-CZ 2.89Å; D611-R640 IonicContact OD1-NH1 3.85Å; D611-R640 IonicContact OD1-NH2 2.91Å; D611-R640 PolarHBondContact OD1-NH2 2.92Å; E614-R640 IonicContact OE1-CZ 3.66Å; E614-R640 IonicContact OE1-NH1 2.68Å; E614-R640 PolarHBondContact OE1-NH1 3.21Å; E614-R640 IonicContact OE2-CZ 3.26Å; E614-R640 IonicContact OE2-NH1 2.84Å; E614-R640 PolarHBondContact OE2-NH1 3.1Å; L636-R640 WeakPolarHBondContact O-CB 3.27Å; L636-R640 PolarHBondContact O-N 3.11Å; R640-S644 WeakPolarHBondContact O-CB 3.49Å; R640-S644 PolarHBondContact O-N 3.48Å |
| 641 | S | 88.6 | Confident | 87.8 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -47.4 | 178.9 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | S637 K638 T639 S644 N645 | S637-S641 WeakPolarHBondContact O-CB 2.97Å; S637-S641 PolarHBondContact O-N 2.97Å; S637-S641 PolarHBondContact O-OG 3.04Å; K638-S641 PolarHBondContact O-N 3.48Å; T639-S641 VanDerWaalsContact C-N 3.26Å; T639-S641 PolarHBondContact O-N 2.82Å; S641-S644 PolarHBondContact O-N 3.35Å; S641-N645 WeakPolarHBondContact O-CB 3.28Å; S641-N645 PolarHBondContact O-N 3.19Å; S641-N645 PolarHBondContact O-ND2 3.46Å; S641-N645 PolarHBondContact O-OD1 3.45Å |
| 642 | T | 91.2 | Very high | 87.5 | Confident | 38 Ų | 38 | 54 Ų | 54 | 23% | 0.233 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -51 | 177.5 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | A306 K638 T639 S644 N645 A646 | A306-T642 HydrophobicContact CB-CG2 3.95Å; K638-T642 PolarHBondContact O-N 2.84Å; K638-T642 PolarHBondContact O-OG1 3.31Å; T639-T642 PolarHBondContact O-N 3.3Å; T642-S644 PolarHBondContact O-N 3.34Å; T642-N645 PolarHBondContact O-N 3.29Å; T642-A646 WeakPolarHBondContact O-CB 3.2Å; T642-A646 PolarHBondContact O-N 3.5Å |
| 643 | V | 88.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | -179.2 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | F305 A306 A309 N603 L606 T639 A646 L647 | F305-V643 HydrophobicContact CB-CG2 4.35Å; A306-V643 HydrophobicContact CB-CG2 4.27Å; A309-V643 HydrophobicContact CB-CG2 4.11Å; N603-V643 HydrophobicContact CB-CG1 3.63Å; L606-V643 HydrophobicContact CD2-CB 4.19Å; L606-V643 HydrophobicContact CD2-CG1 4.38Å; L606-V643 HydrophobicContact CD2-CG2 3.83Å; T639-V643 HydrophobicContact CG2-CG2 4.35Å; T639-V643 WeakPolarHBondContact O-CB 3.04Å; T639-V643 WeakPolarHBondContact O-CG2 3.43Å; T639-V643 PolarHBondContact O-N 3.4Å; V643-A646 PolarHBondContact O-N 3.05Å; V643-L647 HydrophobicContact CG1-CD1 4.12Å; V643-L647 HydrophobicContact CG1-CG 4.48Å; V643-L647 WeakPolarHBondContact O-CB 3.49Å; V643-L647 WeakPolarHBondContact O-CG 3.46Å; V643-L647 PolarHBondContact O-N 3.43Å |
| 644 | S | 85.9 | Confident | 86 | Confident | 37 Ų | 37 | 57 Ų | 57 | 26% | 0.259 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | R640 S641 T642 L647 F648 | R640-S644 WeakPolarHBondContact O-CB 3.49Å; R640-S644 PolarHBondContact O-N 3.48Å; S641-S644 PolarHBondContact O-N 3.35Å; T642-S644 PolarHBondContact O-N 3.34Å; S644-L647 PolarHBondContact O-N 3.34Å; S644-F648 WeakPolarHBondContact O-CB 3.35Å; S644-F648 WeakPolarHBondContact O-CD2 3.45Å; S644-F648 PolarHBondContact O-N 2.81Å; S644-F648 WeakPolarHBondContact OG-CD2 3.4Å |
| 645 | N | 87.2 | Confident | 85 | Confident | 96 Ų | 96 | 56.1 Ų | 56.1 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 178.1 | -68.6 | -12.6 | 0 | 0 | 0 | 111.5 | S641 T642 L647 N649 | S641-N645 WeakPolarHBondContact O-CB 3.28Å; S641-N645 PolarHBondContact O-N 3.19Å; S641-N645 PolarHBondContact O-ND2 3.46Å; S641-N645 PolarHBondContact O-OD1 3.45Å; T642-N645 PolarHBondContact O-N 3.29Å; N645-L647 PolarHBondContact O-N 3.3Å; N645-N649 VanDerWaalsContact O-CB 3.26Å; N645-N649 WeakPolarHBondContact O-CB 3.49Å; N645-N649 PolarHBondContact O-N 2.65Å; N645-N649 PolarHBondContact O-ND2 3.4Å |
| 646 | A | 86 | Confident | 84 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A309 F313 T642 V643 | A309-A646 HydrophobicContact CB-CB 4.1Å; F313-A646 HydrophobicContact CD2-CB 3.88Å; F313-A646 HydrophobicContact CE2-CB 4.29Å; T642-A646 WeakPolarHBondContact O-CB 3.2Å; T642-A646 PolarHBondContact O-N 3.5Å; V643-A646 PolarHBondContact O-N 3.05Å |
| 647 | L | 83.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -52.2 | 175.7 | -73.3 | 173.4 | 0 | 0 | 0 | 112.8 | F313 L600 N603 F604 L607 V643 S644 N645 Q650 V653 | F313-L647 HydrophobicContact CE2-CD2 4.01Å; F313-L647 HydrophobicContact CZ-CD2 3.97Å; L600-L647 HydrophobicContact CD2-CD2 4.15Å; N603-L647 HydrophobicContact CB-CD1 3.99Å; N603-L647 HydrophobicContact CB-CD2 4.04Å; N603-L647 HydrophobicContact CB-CG 4.21Å; F604-L647 HydrophobicContact CD1-CD1 4.28Å; F604-L647 HydrophobicContact CD2-CD1 4.3Å; F604-L647 HydrophobicContact CD2-CD2 4.27Å; F604-L647 HydrophobicContact CE1-CD1 4.22Å; F604-L647 HydrophobicContact CE2-CD1 4.24Å; F604-L647 HydrophobicContact CE2-CD2 3.84Å; F604-L647 HydrophobicContact CG-CD1 4.32Å; F604-L647 HydrophobicContact CZ-CD1 4.2Å; F604-L647 HydrophobicContact CZ-CD2 4.29Å; L607-L647 HydrophobicContact CD1-CD1 3.8Å; V643-L647 HydrophobicContact CG1-CD1 4.12Å; V643-L647 HydrophobicContact CG1-CG 4.48Å; V643-L647 WeakPolarHBondContact O-CB 3.49Å; V643-L647 WeakPolarHBondContact O-CG 3.46Å; V643-L647 PolarHBondContact O-N 3.43Å; S644-L647 PolarHBondContact O-N 3.34Å; N645-L647 PolarHBondContact O-N 3.3Å; L647-Q650 PolarHBondContact O-N 3.24Å; L647-V653 HydrophobicContact CB-CG1 4.4Å; L647-V653 HydrophobicContact CD2-CG1 4.13Å |
| 648 | F | 81.1 | Confident | 81.5 | Confident | 84 Ų | 84 | 54.9 Ų | 54.9 | 37% | 0.368 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -86.1 | -7.1 | -168.5 | -63.5 | -60.1 | 0 | 0 | 0 | 114.7 | F604 L607 S644 Q650 K654 | F604-F648 HydrophobicContact CE1-CE1 4.4Å; F604-F648 HydrophobicContact CE1-CZ 4.26Å; L607-F648 HydrophobicContact CD1-CE2 4.1Å; S644-F648 WeakPolarHBondContact O-CB 3.35Å; S644-F648 WeakPolarHBondContact O-CD2 3.45Å; S644-F648 PolarHBondContact O-N 2.81Å; S644-F648 WeakPolarHBondContact OG-CD2 3.4Å; F648-Q650 PolarHBondContact O-N 2.9Å; F648-K654 WeakPolarHBondContact O-CE 3.43Å; F648-K654 PolarHBondContact O-NZ 3.38Å; F648-K654 VanDerWaalsContact O-NZ 3.11Å |
| 649 | N | 83.6 | Confident | 80.3 | Confident | 125 Ų | 125 | 49.1 Ų | 49.1 | 67% | 0.668 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.6 | 165 | -74.8 | -14 | 0 | 0 | 0 | 112.7 | N645 | N645-N649 VanDerWaalsContact O-CB 3.26Å; N645-N649 WeakPolarHBondContact O-CB 3.49Å; N645-N649 PolarHBondContact O-N 2.65Å; N645-N649 PolarHBondContact O-ND2 3.4Å |
| 650 | Q | 81.7 | Confident | 79.2 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | -97.1 | 111.8 | -176.9 | -64.2 | -69.6 | -15.5 | 0 | 0 | 111.7 | F313 L647 F648 W652 V653 K654 | F313-Q650 HydrophobicContact CD1-CG 3.76Å; F313-Q650 HydrophobicContact CE1-CB 4.47Å; F313-Q650 HydrophobicContact CE1-CG 3.78Å; F313-Q650 HydrophobicContact CG-CG 4.47Å; F313-Q650 HydrophobicContact CZ-CG 4.5Å; L647-Q650 PolarHBondContact O-N 3.24Å; F648-Q650 PolarHBondContact O-N 2.9Å; Q650-W652 VanDerWaalsContact C-N 3.29Å; Q650-W652 PolarHBondContact O-N 2.61Å; Q650-V653 HydrophobicContact CB-CB 4.07Å; Q650-V653 HydrophobicContact CB-CG2 3.59Å; Q650-V653 HydrophobicContact CG-CG2 4.45Å; Q650-V653 WeakPolarHBondContact O-CB 3.37Å; Q650-V653 PolarHBondContact O-N 3.4Å; Q650-V653 VanDerWaalsContact O-N 3.09Å; Q650-K654 PolarHBondContact O-N 2.97Å | ||
| 651 | D | 79.1 | Confident | 77.8 | Confident | 119 Ų | 119 | 46.2 Ų | 46.2 | 64% | 0.636 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.6 | -31.3 | -175.8 | -76.4 | -37.4 | 0 | 0 | 0 | 114.1 | V653 K654 S655 | D651-V653 VanDerWaalsContact C-N 3.32Å; D651-V653 PolarHBondContact O-N 2.9Å; D651-K654 WeakPolarHBondContact O-CB 3.45Å; D651-K654 PolarHBondContact O-N 3.43Å; D651-K654 WeakPolarHBondContact OD1-CE 3.22Å; D651-K654 IonicContact OD1-NZ 2.67Å; D651-K654 PolarHBondContact OD1-NZ 2.71Å; D651-S655 PolarHBondContact O-N 3.11Å |
| 652 | W | 81.4 | Confident | 76.6 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 10% | 0.095 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.6 | -27.8 | 176.3 | 75.4 | -90.3 | 0 | 0 | 0 | 112.7 | F313 R318 L600 Q650 K654 S655 V656 | F313-W652 HydrophobicContact CE1-CZ2 4.4Å; R318-W652 HydrophobicContact CG-CH2 4.3Å; R318-W652 HydrophobicContact CG-CZ2 4.34Å; L600-W652 HydrophobicContact CD1-CH2 3.73Å; L600-W652 HydrophobicContact CD1-CZ3 3.7Å; L600-W652 HydrophobicContact CD2-CH2 4.07Å; L600-W652 HydrophobicContact CD2-CZ2 4.37Å; L600-W652 HydrophobicContact CG-CH2 4.07Å; Q650-W652 VanDerWaalsContact C-N 3.29Å; Q650-W652 PolarHBondContact O-N 2.61Å; W652-K654 VanDerWaalsContact C-N 3.28Å; W652-K654 PolarHBondContact O-N 3.27Å; W652-S655 PolarHBondContact O-N 3.28Å; W652-S655 PolarHBondContact O-OG 2.69Å; W652-V656 HydrophobicContact CE3-CG2 3.99Å; W652-V656 HydrophobicContact CZ3-CG2 4.36Å; W652-V656 VanDerWaalsContact O-CG2 3.3Å; W652-V656 WeakPolarHBondContact O-CG2 3.28Å; W652-V656 PolarHBondContact O-N 3.28Å; W652-V656 VanDerWaalsContact O-N 3.13Å |
| 653 | V | 79.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -33.4 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | F313 L600 F604 L647 Q650 D651 S655 V656 S657 | F313-V653 HydrophobicContact CE1-CG2 4.11Å; F313-V653 HydrophobicContact CZ-CG2 4.15Å; L600-V653 HydrophobicContact CD1-CG1 4.33Å; L600-V653 HydrophobicContact CD1-CG2 4.09Å; L600-V653 HydrophobicContact CD2-CG1 4.47Å; L600-V653 HydrophobicContact CD2-CG2 3.79Å; F604-V653 HydrophobicContact CE2-CG1 3.88Å; F604-V653 HydrophobicContact CZ-CG1 3.71Å; L647-V653 HydrophobicContact CB-CG1 4.4Å; L647-V653 HydrophobicContact CD2-CG1 4.13Å; Q650-V653 HydrophobicContact CB-CB 4.07Å; Q650-V653 HydrophobicContact CB-CG2 3.59Å; Q650-V653 HydrophobicContact CG-CG2 4.45Å; Q650-V653 WeakPolarHBondContact O-CB 3.37Å; Q650-V653 PolarHBondContact O-N 3.4Å; Q650-V653 VanDerWaalsContact O-N 3.09Å; D651-V653 VanDerWaalsContact C-N 3.32Å; D651-V653 PolarHBondContact O-N 2.9Å; V653-S655 PolarHBondContact O-N 2.97Å; V653-V656 PolarHBondContact O-N 2.94Å; V653-S657 WeakPolarHBondContact O-CB 3.3Å; V653-S657 PolarHBondContact O-N 3.23Å |
| 654 | K | 74 | Confident | 74 | Confident | 99 Ų | 99 | 42.4 Ų | 42.4 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 176 | -56.4 | 170.6 | -167.6 | 164.4 | 0 | 112.1 | F648 Q650 D651 W652 | F648-K654 WeakPolarHBondContact O-CE 3.43Å; F648-K654 PolarHBondContact O-NZ 3.38Å; F648-K654 VanDerWaalsContact O-NZ 3.11Å; Q650-K654 PolarHBondContact O-N 2.97Å; D651-K654 WeakPolarHBondContact O-CB 3.45Å; D651-K654 PolarHBondContact O-N 3.43Å; D651-K654 WeakPolarHBondContact OD1-CE 3.22Å; D651-K654 IonicContact OD1-NZ 2.67Å; D651-K654 PolarHBondContact OD1-NZ 2.71Å; W652-K654 VanDerWaalsContact C-N 3.28Å; W652-K654 PolarHBondContact O-N 3.27Å |
| 655 | S | 71.3 | Confident | 72.5 | Confident | 61 Ų | 61 | 43.7 Ų | 43.7 | 43% | 0.427 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -78.1 | -27.4 | 177.9 | 67.2 | 0 | 0 | 0 | 0 | 113.4 | D651 W652 V653 | D651-S655 PolarHBondContact O-N 3.11Å; W652-S655 PolarHBondContact O-N 3.28Å; W652-S655 PolarHBondContact O-OG 2.69Å; V653-S655 PolarHBondContact O-N 2.97Å |
| 656 | V | 70.7 | Confident | 70.5 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -83.9 | -28.2 | 178.8 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | Q597 L600 W652 V653 T659 L660 | Q597-V656 HydrophobicContact CG-CG1 4.01Å; L600-V656 HydrophobicContact CD1-CG1 4.27Å; W652-V656 HydrophobicContact CE3-CG2 3.99Å; W652-V656 HydrophobicContact CZ3-CG2 4.36Å; W652-V656 VanDerWaalsContact O-CG2 3.3Å; W652-V656 WeakPolarHBondContact O-CG2 3.28Å; W652-V656 PolarHBondContact O-N 3.28Å; W652-V656 VanDerWaalsContact O-N 3.13Å; V653-V656 PolarHBondContact O-N 2.94Å; V656-T659 WeakPolarHBondContact O-CA 3.38Å; V656-T659 VanDerWaalsContact O-CB 3.32Å; V656-T659 WeakPolarHBondContact O-CB 3.41Å; V656-T659 PolarHBondContact O-N 2.82Å; V656-L660 HydrophobicContact CG1-CD1 4.17Å; V656-L660 HydrophobicContact CG1-CD2 3.96Å; V656-L660 HydrophobicContact CG1-CG 3.87Å; V656-L660 PolarHBondContact O-N 3.46Å |
| 657 | S | 66.4 | Low | 68.2 | Low | 31 Ų | 31 | 40.9 Ų | 40.9 | 22% | 0.217 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -46.8 | -45.6 | -178.7 | 172.5 | 0 | 0 | 0 | 0 | 115.7 | V653 T659 L660 A661 | V653-S657 WeakPolarHBondContact O-CB 3.3Å; V653-S657 PolarHBondContact O-N 3.23Å; S657-T659 PolarHBondContact O-N 3.18Å; S657-L660 PolarHBondContact O-N 2.98Å; S657-L660 VanDerWaalsContact O-N 3.16Å; S657-A661 PolarHBondContact O-N 3.34Å |
| 658 | P | 61.7 | Low | 66.1 | Low | 81 Ų | 81 | 43.4 Ų | 43.4 | 53% | 0.526 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.4 | -27.8 | 175.6 | -24.1 | 35.2 | 0 | 0 | 0 | 114.3 | ||
| 659 | T | 64.4 | Low | 64.4 | Low | 14 Ų | 14 | 41.2 Ų | 41.2 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -79.5 | -37.8 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | V656 S657 A661 F662 M706 | V656-T659 WeakPolarHBondContact O-CA 3.38Å; V656-T659 VanDerWaalsContact O-CB 3.32Å; V656-T659 WeakPolarHBondContact O-CB 3.41Å; V656-T659 PolarHBondContact O-N 2.82Å; S657-T659 PolarHBondContact O-N 3.18Å; T659-A661 PolarHBondContact O-N 3.13Å; T659-F662 WeakPolarHBondContact O-CB 3.42Å; T659-F662 PolarHBondContact O-N 2.72Å; T659-F662 VanDerWaalsContact O-N 3.12Å; T659-M706 HydrophobicContact CG2-CE 3.56Å |
| 660 | L | 67.4 | Low | 62.3 | Low | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -31.1 | 177.3 | -59.8 | 177.8 | 0 | 0 | 0 | 112.4 | Q597 L600 L601 F604 V656 S657 F662 F663 L664 | Q597-L660 HydrophobicContact CB-CD2 3.78Å; Q597-L660 WeakPolarHBondContact O-CD2 3.41Å; L600-L660 HydrophobicContact CB-CD1 3.92Å; L600-L660 HydrophobicContact CD1-CD1 3.88Å; L601-L660 HydrophobicContact CD1-CB 4.13Å; L601-L660 HydrophobicContact CD1-CD2 4.42Å; F604-L660 HydrophobicContact CD2-CD1 3.56Å; F604-L660 HydrophobicContact CE2-CD1 3.34Å; F604-L660 HydrophobicContact CZ-CD1 4.18Å; V656-L660 HydrophobicContact CG1-CD1 4.17Å; V656-L660 HydrophobicContact CG1-CD2 3.96Å; V656-L660 HydrophobicContact CG1-CG 3.87Å; V656-L660 PolarHBondContact O-N 3.46Å; S657-L660 PolarHBondContact O-N 2.98Å; S657-L660 VanDerWaalsContact O-N 3.16Å; L660-F662 PolarHBondContact O-N 3.32Å; L660-F663 HydrophobicContact CD2-CD2 3.94Å; L660-F663 HydrophobicContact CD2-CE2 4.15Å; L660-F663 WeakPolarHBondContact O-CA 3.46Å; L660-F663 WeakPolarHBondContact O-CB 3.47Å; L660-F663 PolarHBondContact O-N 2.76Å; L660-L664 WeakPolarHBondContact O-CG 3.41Å; L660-L664 PolarHBondContact O-N 3.26Å |
| 661 | A | 62 | Low | 60.4 | Low | 10 Ų | 10 | 39.5 Ų | 39.5 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -28.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | S657 T659 C669 L672 | S657-A661 PolarHBondContact O-N 3.34Å; T659-A661 PolarHBondContact O-N 3.13Å; A661-C669 PolarHBondContact O-SG 2.91Å; A661-L672 HydrophobicContact CB-CD1 3.14Å |
| 662 | F | 63.4 | Low | 58.8 | Low | 19 Ų | 19 | 38.6 Ų | 38.6 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -48.7 | 168 | 153.9 | -127.6 | 0 | 0 | 0 | 110.4 | T659 L660 L664 K665 L705 Y928 L929 | T659-F662 WeakPolarHBondContact O-CB 3.42Å; T659-F662 PolarHBondContact O-N 2.72Å; T659-F662 VanDerWaalsContact O-N 3.12Å; L660-F662 PolarHBondContact O-N 3.32Å; F662-L664 PolarHBondContact O-N 3.08Å; F662-K665 VanDerWaalsContact O-CG 3.28Å; F662-K665 WeakPolarHBondContact O-CG 3.09Å; F662-K665 PolarHBondContact O-N 2.82Å; F662-L705 HydrophobicContact CD1-CB 4.34Å; F662-L705 HydrophobicContact CD2-CB 4.44Å; F662-L705 HydrophobicContact CD2-CD2 3.59Å; F662-L705 HydrophobicContact CD2-CG 4.41Å; F662-L705 HydrophobicContact CE1-CD1 4.08Å; F662-L705 HydrophobicContact CE2-CD1 4.23Å; F662-L705 HydrophobicContact CE2-CD2 3.56Å; F662-L705 HydrophobicContact CE2-CG 4.41Å; F662-L705 HydrophobicContact CG-CB 4.2Å; F662-L705 HydrophobicContact CG-CD2 4.21Å; F662-L705 HydrophobicContact CZ-CD1 3.94Å; F662-L705 HydrophobicContact CZ-CD2 4.12Å; F662-Y928 AromaticContact CE1-CD1 3.73Å; F662-Y928 HydrophobicContact CE1-CD1 3.73Å; F662-Y928 HydrophobicContact CE1-CE1 4.2Å; F662-Y928 AromaticContact CZ-CD1 3.7Å; F662-Y928 HydrophobicContact CZ-CD1 3.7Å; F662-Y928 AromaticContact CZ-CE1 3.89Å; F662-Y928 HydrophobicContact CZ-CE1 3.89Å; F662-L929 HydrophobicContact CZ-CD2 3.96Å; F662-L929 HydrophobicContact CZ-CG 4.38Å |
| 663 | F | 65.9 | Low | 57.2 | Low | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -37.8 | -179.3 | -58.9 | -28.4 | 0 | 0 | 0 | 111.5 | F203 H207 L594 Q597 L601 L660 K665 Y928 | F203-F663 WeakPolarHBondContact CE1-O 3.14Å; F203-F663 WeakPolarHBondContact CZ-O 3.21Å; H207-F663 PolarHBondContact CE1-O 3.32Å; H207-F663 VanDerWaalsContact CE1-O 3.26Å; L594-F663 HydrophobicContact CD1-CE1 4.41Å; L594-F663 HydrophobicContact CD1-CE2 3.97Å; L594-F663 HydrophobicContact CD1-CZ 3.69Å; Q597-F663 HydrophobicContact CB-CE2 3.91Å; L601-F663 HydrophobicContact CD1-CB 4.33Å; L601-F663 HydrophobicContact CD2-CB 3.83Å; L601-F663 HydrophobicContact CD2-CD2 4.3Å; L660-F663 HydrophobicContact CD2-CD2 3.94Å; L660-F663 HydrophobicContact CD2-CE2 4.15Å; L660-F663 WeakPolarHBondContact O-CA 3.46Å; L660-F663 WeakPolarHBondContact O-CB 3.47Å; L660-F663 PolarHBondContact O-N 2.76Å; F663-K665 VanDerWaalsContact C-N 3.32Å; F663-K665 PolarHBondContact O-N 2.73Å; F663-Y928 AromaticContact CD1-CD1 3.59Å; F663-Y928 HydrophobicContact CD1-CD1 3.59Å; F663-Y928 AromaticContact CD1-CD2 3.9Å; F663-Y928 HydrophobicContact CD1-CD2 3.9Å; F663-Y928 AromaticContact CD1-CE1 3.71Å; F663-Y928 HydrophobicContact CD1-CE1 3.71Å; F663-Y928 HydrophobicContact CD1-CE2 4Å; F663-Y928 AromaticContact CD1-CG 3.69Å; F663-Y928 HydrophobicContact CD1-CG 3.69Å; F663-Y928 AromaticContact CD1-CZ 3.9Å; F663-Y928 AromaticContact CE1-CD1 3.7Å; F663-Y928 HydrophobicContact CE1-CD1 3.7Å; F663-Y928 AromaticContact CE1-CD2 3.92Å; F663-Y928 HydrophobicContact CE1-CD2 3.92Å; F663-Y928 HydrophobicContact CE1-CE1 4.3Å; F663-Y928 HydrophobicContact CE1-CE2 4.48Å; F663-Y928 AromaticContact CE1-CG 3.47Å; F663-Y928 HydrophobicContact CE1-CG 3.47Å; F663-Y928 VanDerWaalsContact CE1-CG 3.47Å; F663-Y928 HydrophobicContact CG-CD2 4.5Å; F663-Y928 HydrophobicContact CG-CE2 4.33Å; F663-Y928 HydrophobicContact CZ-CG 4.31Å |
| 664 | L | 59 | Low | 55.9 | Low | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -24.4 | -175.5 | -72.7 | 173.9 | 0 | 0 | 0 | 116.2 | F203 L601 Q605 Y608 L660 F662 T666 | F203-L664 VanDerWaalsContact CD1-O 3.26Å; F203-L664 WeakPolarHBondContact CD1-O 3.32Å; F203-L664 VanDerWaalsContact CE1-C 3.42Å; F203-L664 WeakPolarHBondContact CE1-O 3.4Å; L601-L664 HydrophobicContact CD1-CD2 3.57Å; L601-L664 HydrophobicContact CD1-CG 3.79Å; L601-L664 HydrophobicContact CG-CD2 4.13Å; Q605-L664 HydrophobicContact CG-CD2 3.38Å; Y608-L664 HydrophobicContact CD2-CD1 3.76Å; Y608-L664 HydrophobicContact CE2-CD1 3.23Å; L660-L664 WeakPolarHBondContact O-CG 3.41Å; L660-L664 PolarHBondContact O-N 3.26Å; F662-L664 PolarHBondContact O-N 3.08Å; L664-T666 PolarHBondContact O-N 2.92Å |
| 665 | K | 54.4 | Low | 54.9 | Low | 64 Ų | 64 | 44.1 Ų | 44.1 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | trans | 48 | 15.7 | 170 | -70.4 | -174.6 | 163.5 | -78.1 | 0 | 118.2 | Y199 F203 F662 F663 E703 | Y199-K665 PolarHBondContact OH-O 3.12Å; F203-K665 HydrophobicContact CE1-CB 3.89Å; F203-K665 HydrophobicContact CZ-CB 3.84Å; F203-K665 HydrophobicContact CZ-CD 4.02Å; F203-K665 HydrophobicContact CZ-CG 4.18Å; F662-K665 VanDerWaalsContact O-CG 3.28Å; F662-K665 WeakPolarHBondContact O-CG 3.09Å; F662-K665 PolarHBondContact O-N 2.82Å; F663-K665 VanDerWaalsContact C-N 3.32Å; F663-K665 PolarHBondContact O-N 2.73Å; K665-E703 IonicContact NZ-OE1 3.21Å; K665-E703 PolarHBondContact NZ-OE1 3.5Å; K665-E703 IonicContact NZ-OE2 3.27Å; K665-E703 PolarHBondContact NZ-OE2 3.05Å | ||
| 666 | T | 44.6 | Very low | 54.1 | Low | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | trans | -69.6 | 143.2 | 171.4 | 59.6 | 0 | 0 | 0 | 0 | 109.4 | Y199 L200 L664 F668 C669 | Y199-T666 HydrophobicContact CD1-CG2 4.42Å; L200-T666 HydrophobicContact CD1-CG2 4.19Å; L664-T666 PolarHBondContact O-N 2.92Å; T666-F668 PolarHBondContact O-N 3.02Å; T666-C669 PolarHBondContact O-N 3.04Å; T666-C669 PolarHBondContact OG1-SG 3.35Å | ||
| 667 | P | 37.9 | Very low | 53.7 | Low | 41 Ų | 41 | 47.9 Ų | 47.9 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14 | 177.2 | 21.5 | -30.3 | 0 | 0 | 0 | 113.4 | L183 E196 | L183-P667 WeakPolarHBondContact O-CB 3.49Å; E196-P667 VanDerWaalsContact OE1-CG 3.25Å; E196-P667 WeakPolarHBondContact OE1-CG 3.45Å; E196-P667 WeakPolarHBondContact OE2-CD 3.42Å; E196-P667 WeakPolarHBondContact OE2-CG 3.4Å |
| 668 | F | 39.4 | Very low | 53.5 | Low | 53 Ų | 53 | 50 Ų | 50 | 23% | 0.232 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -2 | -179.9 | -71.5 | -88.5 | 0 | 0 | 0 | 115.7 | R185 S187 E196 T666 S670 | R185-F668 HydrophobicContact CB-CE2 4.21Å; R185-F668 HydrophobicContact CB-CZ 3.89Å; R185-F668 WeakPolarHBondContact O-CE1 3.43Å; R185-F668 WeakPolarHBondContact O-CZ 3.25Å; S187-F668 WeakPolarHBondContact OG-CE1 3.3Å; S187-F668 VanDerWaalsContact OG-CZ 3.22Å; S187-F668 WeakPolarHBondContact OG-CZ 3.38Å; E196-F668 VanDerWaalsContact CD-CE2 3.43Å; E196-F668 HydrophobicContact CG-CD2 3.87Å; E196-F668 HydrophobicContact CG-CE2 3.47Å; E196-F668 VanDerWaalsContact CG-CE2 3.47Å; E196-F668 HydrophobicContact CG-CZ 4.42Å; T666-F668 PolarHBondContact O-N 3.02Å; F668-S670 PolarHBondContact O-N 3.36Å |
| 669 | C | 44.3 | Very low | 53.6 | Low | 39 Ų | 39 | 50.1 Ų | 50.1 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | trans | -64.3 | 8.1 | 166.4 | -72.1 | 0 | 0 | 0 | 0 | 113.7 | A661 T666 N671 | A661-C669 PolarHBondContact O-SG 2.91Å; T666-C669 PolarHBondContact O-N 3.04Å; T666-C669 PolarHBondContact OG1-SG 3.35Å; C669-N671 PolarHBondContact O-N 3.25Å | ||
| 670 | S | 40.2 | Very low | 53.8 | Low | 13 Ų | 13 | 54.3 Ų | 54.3 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 13.8 | -176.9 | 71.5 | 0 | 0 | 0 | 0 | 115.9 | F668 R678 | F668-S670 PolarHBondContact O-N 3.36Å; S670-R678 PolarHBondContact O-NH1 2.72Å; S670-R678 PolarHBondContact O-NH2 2.75Å |
| 671 | N | 42.2 | Very low | 53.9 | Low | 139 Ų | 139 | 54.7 Ų | 54.7 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.6 | -6.2 | -177.7 | -79 | -19 | 0 | 0 | 0 | 115.8 | C669 Y673 | C669-N671 PolarHBondContact O-N 3.25Å; N671-Y673 VanDerWaalsContact C-N 3.27Å; N671-Y673 PolarHBondContact O-N 3.29Å |
| 672 | L | 44 | Very low | 54.3 | Low | 101 Ų | 101 | 59 Ų | 59 | 53% | 0.529 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -72.8 | -16.6 | -178.4 | -78.6 | 161.3 | 0 | 0 | 0 | 114.6 | A661 | A661-L672 HydrophobicContact CB-CD1 3.14Š|
| 673 | Y | 48.8 | Very low | 54.8 | Low | 65 Ų | 65 | 63 Ų | 63 | 26% | 0.255 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -104.8 | 115.2 | 174.4 | -138.6 | -101.2 | 0 | 0 | 0 | 109.7 | N671 G677 R678 F704 D707 | N671-Y673 VanDerWaalsContact C-N 3.27Å; N671-Y673 PolarHBondContact O-N 3.29Å; Y673-G677 VanDerWaalsContact CE1-C 3.44Å; Y673-R678 HydrophobicContact CD1-CG 4.38Å; Y673-F704 AromaticContact CD2-CE1 3.96Å; Y673-F704 HydrophobicContact CD2-CE1 3.96Å; Y673-F704 AromaticContact CE2-CE1 3.74Å; Y673-F704 HydrophobicContact CE2-CE1 3.74Å; Y673-F704 HydrophobicContact CE2-CZ 4.03Å; Y673-D707 WeakPolarHBondContact CE2-OD1 3.4Å; Y673-D707 VanDerWaalsContact OH-CG 3.23Å; Y673-D707 PolarHBondContact OH-OD1 2.91Å; Y673-D707 PolarHBondContact OH-OD2 3.31Å |
| 674 | P | 51.7 | Low | 55.3 | Low | 90 Ų | 90 | 63.2 Ų | 63.2 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | trans | -54 | 149.6 | -179.9 | -28.1 | 35.2 | 0 | 0 | 0 | 112.7 | E676 G677 R678 | P674-E676 PolarHBondContact O-N 3.23Å; P674-E676 VanDerWaalsContact O-N 3.14Å; P674-G677 WeakPolarHBondContact O-CA 3.16Å; P674-G677 PolarHBondContact O-N 3.37Å; P674-R678 PolarHBondContact O-N 2.8Å | ||
| 675 | A | 53.2 | Low | 55.9 | Low | 84 Ų | 84 | 63.7 Ų | 63.7 | 69% | 0.694 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -55.2 | -36.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R678 S679 | A675-R678 PolarHBondContact O-N 2.89Å; A675-S679 PolarHBondContact O-N 2.56Å; A675-S679 VanDerWaalsContact O-N 3.07Å |
| 676 | E | 54.6 | Low | 56.6 | Low | 133 Ų | 133 | 62.7 Ų | 62.7 | 62% | 0.621 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65 | -37.1 | 174.2 | -157.5 | -154.7 | 158.7 | 0 | 0 | 112.5 | P674 S679 K680 | P674-E676 PolarHBondContact O-N 3.23Å; P674-E676 VanDerWaalsContact O-N 3.14Å; E676-S679 PolarHBondContact O-N 2.64Å; E676-K680 WeakPolarHBondContact O-CD 3.41Å; E676-K680 WeakPolarHBondContact O-CG 3.33Å; E676-K680 PolarHBondContact O-N 3.49Å; E676-K680 VanDerWaalsContact O-N 3.17Å; E676-K680 WeakPolarHBondContact OE1-CE 3.45Å; E676-K680 IonicContact OE1-NZ 2.77Å; E676-K680 PolarHBondContact OE1-NZ 2.98Å; E676-K680 IonicContact OE2-NZ 3.76Å; E676-K680 PolarHBondContact OE2-NZ 3.31Å |
| 677 | G | 61.9 | Low | 58 | Low | 13 Ų | 13 | 63.7 Ų | 63.7 | 13% | 0.134 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y673 P674 S679 K680 L681 | Y673-G677 VanDerWaalsContact CE1-C 3.44Å; P674-G677 WeakPolarHBondContact O-CA 3.16Å; P674-G677 PolarHBondContact O-N 3.37Å; G677-S679 VanDerWaalsContact C-N 3.34Å; G677-S679 PolarHBondContact O-N 3.29Å; G677-K680 WeakPolarHBondContact O-CB 3.28Å; G677-K680 PolarHBondContact O-N 3.3Å; G677-L681 PolarHBondContact O-N 3.4Å |
| 678 | R | 63 | Low | 59.6 | Low | 75 Ų | 75 | 61.9 Ų | 61.9 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 174.4 | -78 | -177.9 | 154.9 | 140.5 | -5 | 112.7 | S670 Y673 P674 A675 K680 L681 E682 | S670-R678 PolarHBondContact O-NH1 2.72Å; S670-R678 PolarHBondContact O-NH2 2.75Å; Y673-R678 HydrophobicContact CD1-CG 4.38Å; P674-R678 PolarHBondContact O-N 2.8Å; A675-R678 PolarHBondContact O-N 2.89Å; R678-K680 VanDerWaalsContact C-N 3.33Å; R678-K680 PolarHBondContact O-N 3.37Å; R678-L681 WeakPolarHBondContact O-CB 3.25Å; R678-L681 PolarHBondContact O-N 2.78Å; R678-L681 VanDerWaalsContact O-N 3.17Å; R678-E682 PolarHBondContact O-N 3.24Å |
| 679 | S | 64.3 | Low | 61 | Low | 83 Ų | 83 | 64.8 Ų | 64.8 | 58% | 0.58 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.2 | -44.4 | 175.5 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | A675 E676 G677 L681 E682 E683 | A675-S679 PolarHBondContact O-N 2.56Å; A675-S679 VanDerWaalsContact O-N 3.07Å; E676-S679 PolarHBondContact O-N 2.64Å; G677-S679 VanDerWaalsContact C-N 3.34Å; G677-S679 PolarHBondContact O-N 3.29Å; S679-L681 VanDerWaalsContact C-N 3.34Å; S679-L681 PolarHBondContact O-N 2.95Å; S679-E682 PolarHBondContact O-N 2.96Å; S679-E683 PolarHBondContact O-N 3.3Å |
| 680 | K | 67.7 | Low | 62.2 | Low | 102 Ų | 102 | 71.5 Ų | 71.5 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 174.5 | -66.9 | 162.3 | -172.4 | 168.2 | 0 | 112.7 | E676 G677 R678 L684 | E676-K680 WeakPolarHBondContact O-CD 3.41Å; E676-K680 WeakPolarHBondContact O-CG 3.33Å; E676-K680 PolarHBondContact O-N 3.49Å; E676-K680 VanDerWaalsContact O-N 3.17Å; E676-K680 WeakPolarHBondContact OE1-CE 3.45Å; E676-K680 IonicContact OE1-NZ 2.77Å; E676-K680 PolarHBondContact OE1-NZ 2.98Å; E676-K680 IonicContact OE2-NZ 3.76Å; E676-K680 PolarHBondContact OE2-NZ 3.31Å; G677-K680 WeakPolarHBondContact O-CB 3.28Å; G677-K680 PolarHBondContact O-N 3.3Å; R678-K680 VanDerWaalsContact C-N 3.33Å; R678-K680 PolarHBondContact O-N 3.37Å; K680-L684 WeakPolarHBondContact O-CB 3.29Å; K680-L684 PolarHBondContact O-N 3.06Å |
| 681 | L | 70.2 | Confident | 63.3 | Low | 10 Ų | 10 | 74.6 Ų | 74.6 | 5% | 0.052 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.6 | -43.8 | 177 | -170.8 | 64.8 | 0 | 0 | 0 | 111.7 | G677 R678 S679 L684 I685 F704 Y727 F729 | G677-L681 PolarHBondContact O-N 3.4Å; R678-L681 WeakPolarHBondContact O-CB 3.25Å; R678-L681 PolarHBondContact O-N 2.78Å; R678-L681 VanDerWaalsContact O-N 3.17Å; S679-L681 VanDerWaalsContact C-N 3.34Å; S679-L681 PolarHBondContact O-N 2.95Å; L681-L684 WeakPolarHBondContact O-CB 3.25Å; L681-L684 PolarHBondContact O-N 3.11Å; L681-I685 HydrophobicContact CG-CD1 4.08Å; L681-I685 VanDerWaalsContact O-CG1 3.26Å; L681-I685 WeakPolarHBondContact O-CG1 3.41Å; L681-I685 PolarHBondContact O-N 3.19Å; L681-F704 HydrophobicContact CD1-CD2 4.19Å; L681-F704 HydrophobicContact CD1-CE2 4.34Å; L681-F704 HydrophobicContact CD2-CB 4.11Å; L681-F704 HydrophobicContact CD2-CD1 3.95Å; L681-F704 HydrophobicContact CD2-CD2 4.2Å; L681-F704 HydrophobicContact CD2-CE1 4.46Å; L681-F704 HydrophobicContact CD2-CG 3.79Å; L681-Y727 HydrophobicContact CD1-CD1 3.79Å; L681-Y727 HydrophobicContact CD1-CE1 4.17Å; L681-F729 HydrophobicContact CD1-CE1 4.4Å; L681-F729 HydrophobicContact CD1-CZ 3.88Å |
| 682 | E | 70.7 | Confident | 64.1 | Low | 101 Ų | 101 | 70.3 Ų | 70.3 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.7 | -35.7 | 173.6 | -85 | -68 | 179.3 | 0 | 0 | 112.8 | R678 S679 L684 I685 S686 R689 | R678-E682 PolarHBondContact O-N 3.24Å; S679-E682 PolarHBondContact O-N 2.96Å; E682-L684 VanDerWaalsContact C-N 3.31Å; E682-L684 PolarHBondContact O-N 3.08Å; E682-I685 PolarHBondContact O-N 3.15Å; E682-S686 WeakPolarHBondContact O-CB 3.42Å; E682-S686 PolarHBondContact O-N 2.95Å; E682-S686 PolarHBondContact O-OG 3.45Å; E682-R689 IonicContact OE2-NH1 3.99Å; E682-R689 PolarHBondContact OE2-NH1 3.19Å |
| 683 | E | 73.1 | Confident | 64.5 | Low | 101 Ų | 101 | 72.2 Ų | 72.2 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 170.8 | -168.3 | -169.3 | 175.2 | 0 | 0 | 110.5 | S679 S686 S687 | S679-E683 PolarHBondContact O-N 3.3Å; E683-S686 PolarHBondContact O-N 3.43Å; E683-S687 WeakPolarHBondContact O-CB 3.16Å; E683-S687 PolarHBondContact O-N 2.73Å |
| 684 | L | 76.2 | Confident | 64.5 | Low | 6 Ų | 6 | 75.8 Ų | 75.8 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.4 | -52.3 | 176.8 | 179.4 | 64.4 | 0 | 0 | 0 | 111.5 | K680 L681 E682 S686 S687 V688 Y727 L761 V763 | K680-L684 WeakPolarHBondContact O-CB 3.29Å; K680-L684 PolarHBondContact O-N 3.06Å; L681-L684 WeakPolarHBondContact O-CB 3.25Å; L681-L684 PolarHBondContact O-N 3.11Å; E682-L684 VanDerWaalsContact C-N 3.31Å; E682-L684 PolarHBondContact O-N 3.08Å; L684-S686 VanDerWaalsContact C-N 3.3Å; L684-S686 PolarHBondContact O-N 2.86Å; L684-S687 WeakPolarHBondContact O-CB 3.29Å; L684-S687 PolarHBondContact O-N 3.01Å; L684-S687 VanDerWaalsContact O-N 3.14Å; L684-V688 WeakPolarHBondContact O-CG2 3.15Å; L684-V688 PolarHBondContact O-N 3.24Å; L684-Y727 HydrophobicContact CD2-CD1 4.11Å; L684-Y727 HydrophobicContact CD2-CD2 3.59Å; L684-Y727 HydrophobicContact CD2-CE1 4.19Å; L684-Y727 HydrophobicContact CD2-CE2 3.64Å; L684-Y727 HydrophobicContact CD2-CG 3.85Å; L684-L761 HydrophobicContact CD1-CB 4.11Å; L684-V763 HydrophobicContact CD1-CG2 3.81Å |
| 685 | I | 70.9 | Confident | 64.2 | Low | 13 Ų | 13 | 77 Ų | 77 | 7% | 0.067 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | 178.9 | -65 | 165.7 | 0 | 0 | 0 | 110.2 | L681 E682 S687 V688 R689 M701 F729 | L681-I685 HydrophobicContact CG-CD1 4.08Å; L681-I685 VanDerWaalsContact O-CG1 3.26Å; L681-I685 WeakPolarHBondContact O-CG1 3.41Å; L681-I685 PolarHBondContact O-N 3.19Å; E682-I685 PolarHBondContact O-N 3.15Å; I685-S687 VanDerWaalsContact C-N 3.34Å; I685-S687 PolarHBondContact O-N 3.41Å; I685-V688 WeakPolarHBondContact O-CB 3.34Å; I685-V688 PolarHBondContact O-N 3.46Å; I685-V688 VanDerWaalsContact O-N 3.16Å; I685-R689 HydrophobicContact CG2-CG 4.48Å; I685-R689 WeakPolarHBondContact O-CG 3.37Å; I685-R689 PolarHBondContact O-N 3.46Å; I685-M701 HydrophobicContact CG1-CG 4.34Å; I685-M701 HydrophobicContact CG2-CG 3.9Å; I685-F729 HydrophobicContact CD1-CE1 4.07Å; I685-F729 HydrophobicContact CD1-CZ 4.31Å; I685-F729 HydrophobicContact CG1-CZ 4.35Å |
| 686 | S | 70.7 | Confident | 64 | Low | 43 Ų | 43 | 77.1 Ų | 77.1 | 30% | 0.301 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.2 | -28 | 177 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | E682 E683 L684 R690 | E682-S686 WeakPolarHBondContact O-CB 3.42Å; E682-S686 PolarHBondContact O-N 2.95Å; E682-S686 PolarHBondContact O-OG 3.45Å; E683-S686 PolarHBondContact O-N 3.43Å; L684-S686 VanDerWaalsContact C-N 3.3Å; L684-S686 PolarHBondContact O-N 2.86Å; S686-R690 WeakPolarHBondContact O-CB 3.47Å; S686-R690 VanDerWaalsContact O-CG 3.26Å; S686-R690 WeakPolarHBondContact O-CG 3.19Å; S686-R690 PolarHBondContact O-N 2.86Å; S686-R690 PolarHBondContact O-NE 3.27Å |
| 687 | S | 73.8 | Confident | 63.7 | Low | 33 Ų | 33 | 76.2 Ų | 76.2 | 23% | 0.231 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 168.4 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | E683 L684 I685 T691 | E683-S687 WeakPolarHBondContact O-CB 3.16Å; E683-S687 PolarHBondContact O-N 2.73Å; L684-S687 WeakPolarHBondContact O-CB 3.29Å; L684-S687 PolarHBondContact O-N 3.01Å; L684-S687 VanDerWaalsContact O-N 3.14Å; I685-S687 VanDerWaalsContact C-N 3.34Å; I685-S687 PolarHBondContact O-N 3.41Å; S687-T691 WeakPolarHBondContact O-CG2 3.2Å; S687-T691 PolarHBondContact O-N 3.3Å; S687-T691 PolarHBondContact O-OG1 3.4Å |
| 688 | V | 71.2 | Confident | 63.2 | Low | 2 Ų | 2 | 79.1 Ų | 79.1 | 1% | 0.012 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69 | -47.2 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 112 | L684 I685 R690 T691 L699 L734 V763 | L684-V688 WeakPolarHBondContact O-CG2 3.15Å; L684-V688 PolarHBondContact O-N 3.24Å; I685-V688 WeakPolarHBondContact O-CB 3.34Å; I685-V688 PolarHBondContact O-N 3.46Å; I685-V688 VanDerWaalsContact O-N 3.16Å; V688-R690 VanDerWaalsContact C-N 3.29Å; V688-R690 PolarHBondContact O-N 3.41Å; V688-T691 WeakPolarHBondContact CA-OG1 3.23Å; V688-T691 CarbonylContact O-C 3.48Å; V688-T691 PolarHBondContact O-N 2.94Å; V688-T691 PolarHBondContact O-OG1 3.42Å; V688-T691 VanDerWaalsContact O-OG1 3.09Å; V688-L699 HydrophobicContact CG1-CD2 3.26Å; V688-L734 HydrophobicContact CG2-CD1 4.41Å; V688-V763 HydrophobicContact CG2-CB 4.2Å; V688-V763 HydrophobicContact CG2-CG2 3.39Å |
| 689 | R | 69.1 | Low | 62.8 | Low | 115 Ų | 115 | 76.1 Ų | 76.1 | 43% | 0.434 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -55.2 | -43.2 | 173.8 | -69.8 | 170.9 | -179.3 | 140.9 | -2.5 | 111.4 | E682 I685 T691 | E682-R689 IonicContact OE2-NH1 3.99Å; E682-R689 PolarHBondContact OE2-NH1 3.19Å; I685-R689 HydrophobicContact CG2-CG 4.48Å; I685-R689 WeakPolarHBondContact O-CG 3.37Å; I685-R689 PolarHBondContact O-N 3.46Å; R689-T691 PolarHBondContact O-N 3.4Å |
| 690 | R | 68.4 | Low | 62.4 | Low | 180 Ų | 180 | 73.9 Ų | 73.9 | 68% | 0.679 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -8.4 | 175.7 | -75.5 | 179.3 | -66.3 | 164.3 | -2.3 | 115.3 | S686 V688 | S686-R690 WeakPolarHBondContact O-CB 3.47Å; S686-R690 VanDerWaalsContact O-CG 3.26Å; S686-R690 WeakPolarHBondContact O-CG 3.19Å; S686-R690 PolarHBondContact O-N 2.86Å; S686-R690 PolarHBondContact O-NE 3.27Å; V688-R690 VanDerWaalsContact C-N 3.29Å; V688-R690 PolarHBondContact O-N 3.41Å |
| 691 | T | 64.6 | Low | 61.9 | Low | 78 Ų | 78 | 69.6 Ų | 69.6 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 24.7 | -179.7 | 51 | 0 | 0 | 0 | 0 | 112.8 | S687 V688 R689 R766 | S687-T691 WeakPolarHBondContact O-CG2 3.2Å; S687-T691 PolarHBondContact O-N 3.3Å; S687-T691 PolarHBondContact O-OG1 3.4Å; V688-T691 WeakPolarHBondContact CA-OG1 3.23Å; V688-T691 CarbonylContact O-C 3.48Å; V688-T691 PolarHBondContact O-N 2.94Å; V688-T691 PolarHBondContact O-OG1 3.42Å; V688-T691 VanDerWaalsContact O-OG1 3.09Å; R689-T691 PolarHBondContact O-N 3.4Å; T691-R766 PolarHBondContact O-NH2 2.99Å |
| 692 | Q | 59.2 | Low | 61.5 | Low | 49 Ų | 49 | 70.6 Ų | 70.6 | 23% | 0.229 | 38% | 0.375 | C | S | . | . | trans | -91.2 | 139.6 | 166.8 | -60 | -153.1 | -102.3 | 0 | 0 | 110.9 | L697 L699 | Q692-L697 PolarHBondContact NE2-O 2.73Å; Q692-L699 VanDerWaalsContact OE1-CB 3.31Å | ||
| 693 | H | 51.8 | Low | 61.2 | Low | 141 Ų | 141 | 69.3 Ų | 69.3 | 65% | 0.653 | 37% | 0.369 | S | S | * | . | trans | -90.2 | 153.9 | 167.2 | -66.9 | -75.6 | 0 | 0 | 0 | 109.8 | S695 E696 | H693-S695 PolarHBondContact O-N 3.23Å; H693-E696 PolarHBondContact O-N 3.13Å | ||
| 694 | S | 48.3 | Very low | 61.1 | Low | 140 Ų | 140 | 66 Ų | 66 | 98% | 0.979 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -1.8 | -174.1 | 48.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 695 | S | 45.5 | Very low | 60.9 | Low | 114 Ų | 114 | 66.4 Ų | 66.4 | 80% | 0.797 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -5.1 | 172.9 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | H693 | H693-S695 PolarHBondContact O-N 3.23Š|
| 696 | E | 48.7 | Very low | 61.3 | Low | 87 Ų | 87 | 66.8 Ų | 66.8 | 41% | 0.407 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -90.9 | 151.2 | 176.4 | -62.3 | -171.1 | 139.8 | 0 | 0 | 111.9 | H693 R766 | H693-E696 PolarHBondContact O-N 3.13Å; E696-R766 IonicContact OE1-NH1 3.99Å; E696-R766 PolarHBondContact OE1-NH1 3.29Å; E696-R766 IonicContact OE2-CZ 3.44Å; E696-R766 IonicContact OE2-NH1 2.72Å; E696-R766 PolarHBondContact OE2-NH1 3.35Å; E696-R766 IonicContact OE2-NH2 2.66Å |
| 697 | L | 49.2 | Very low | 61.9 | Low | 114 Ų | 114 | 67.5 Ų | 67.5 | 60% | 0.597 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 135.8 | 174.8 | -159.5 | 75.2 | 0 | 0 | 0 | 110.4 | Q692 L699 | Q692-L697 PolarHBondContact NE2-O 2.73Å; L697-L699 PolarHBondContact O-N 3.13Å |
| 698 | P | 51.6 | Low | 62.4 | Low | 74 Ų | 74 | 66.4 Ų | 66.4 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 128.1 | -178.3 | -21.9 | 32.3 | 0 | 0 | 0 | 111.9 | P175 V700 | P175-P698 HydrophobicContact CG-CB 4.23Å; P175-P698 HydrophobicContact CG-CG 4.43Å; P698-V700 PolarHBondContact O-N 2.93Å |
| 699 | L | 54.2 | Low | 63.1 | Low | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | trans | -81 | 85.2 | -171.8 | -149.9 | 82.5 | 0 | 0 | 0 | 111.9 | V688 Q692 L697 M701 W732 | V688-L699 HydrophobicContact CG1-CD2 3.26Å; Q692-L699 VanDerWaalsContact OE1-CB 3.31Å; L697-L699 PolarHBondContact O-N 3.13Å; L699-M701 HydrophobicContact CD2-SD 3.41Å; L699-M701 WeakPolarHBondContact CD2-SD 3.16Å; L699-M701 HydrophobicContact CG-SD 3.82Å; L699-M701 PolarHBondContact O-N 2.93Å; L699-M701 VanDerWaalsContact O-N 3.14Å; L699-W732 HydrophobicContact CD1-CD2 3.84Å; L699-W732 HydrophobicContact CD1-CE3 4.1Å; L699-W732 HydrophobicContact CD1-CH2 3.66Å; L699-W732 HydrophobicContact CD1-CZ2 3.33Å; L699-W732 HydrophobicContact CD1-CZ3 4.02Å; L699-W732 HydrophobicContact CG-CD2 4.46Å; L699-W732 HydrophobicContact CG-CZ2 4.42Å | ||
| 700 | V | 55.6 | Low | 64 | Low | 37 Ų | 37 | 65.6 Ų | 65.6 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | trans | -72.9 | 101.2 | 165.5 | 175.1 | 0 | 0 | 0 | 0 | 108.8 | P175 C177 P698 N731 W732 | P175-V700 HydrophobicContact CB-CG2 3.68Å; P175-V700 HydrophobicContact CG-CG2 3.85Å; C177-V700 WeakPolarHBondContact O-CG1 3.38Å; P698-V700 PolarHBondContact O-N 2.93Å; V700-N731 PolarHBondContact O-ND2 3.13Å; V700-W732 PolarHBondContact O-NE1 2.73Å | ||
| 701 | M | 56.5 | Low | 64.9 | Low | 11 Ų | 11 | 58.8 Ų | 58.8 | 5% | 0.054 | 34% | 0.337 | C | S | . | . | trans | -72.7 | 127 | 166.8 | -58.1 | -53.1 | -56.8 | 0 | 0 | 109 | S179 I685 L699 F729 W732 L734 | S179-M701 VanDerWaalsContact CB-O 3.24Å; S179-M701 WeakPolarHBondContact CB-O 3.37Å; I685-M701 HydrophobicContact CG1-CG 4.34Å; I685-M701 HydrophobicContact CG2-CG 3.9Å; L699-M701 HydrophobicContact CD2-SD 3.41Å; L699-M701 WeakPolarHBondContact CD2-SD 3.16Å; L699-M701 HydrophobicContact CG-SD 3.82Å; L699-M701 PolarHBondContact O-N 2.93Å; L699-M701 VanDerWaalsContact O-N 3.14Å; M701-F729 HydrophobicContact CB-CD1 4.44Å; M701-F729 HydrophobicContact CE-CB 4.01Å; M701-F729 HydrophobicContact CE-CD1 3.62Å; M701-F729 HydrophobicContact CE-CD2 3.21Å; M701-F729 HydrophobicContact CE-CE1 3.75Å; M701-F729 HydrophobicContact CE-CE2 3.37Å; M701-F729 HydrophobicContact CE-CG 3.34Å; M701-F729 HydrophobicContact CE-CZ 3.63Å; M701-W732 HydrophobicContact CE-CB 3.82Å; M701-W732 HydrophobicContact CE-CG 4.33Å; M701-W732 HydrophobicContact SD-CB 4.35Å; M701-W732 HydrophobicContact SD-CG 4.25Å; M701-L734 HydrophobicContact CE-CD1 3.82Å; M701-L734 HydrophobicContact CE-CD2 4.49Å; M701-L734 HydrophobicContact CE-CG 4.15Å; M701-L734 HydrophobicContact SD-CD1 4.4Å | ||
| 702 | S | 62.9 | Low | 66 | Low | 31 Ų | 31 | 55.1 Ų | 55.1 | 22% | 0.217 | 32% | 0.315 | C | S | . | . | trans | -87.2 | -162.9 | 173.1 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | F704 F729 S730 N731 | S702-F704 PolarHBondContact O-N 3.43Å; S702-F729 WeakPolarHBondContact O-CD1 3.45Å; S702-S730 WeakPolarHBondContact CB-OG 3.49Å; S702-S730 WeakPolarHBondContact OG-CA 3.47Å; S702-S730 PolarHBondContact OG-N 3.27Å; S702-S730 PolarHBondContact OG-OG 2.98Å; S702-N731 WeakPolarHBondContact CB-OD1 3.31Å; S702-N731 PolarHBondContact N-OD1 2.81Å; S702-N731 PolarHBondContact OG-N 3.48Å; S702-N731 VanDerWaalsContact OG-N 3.13Å; S702-N731 PolarHBondContact OG-OD1 3.22Å | ||
| 703 | E | 63 | Low | 67.2 | Low | 75 Ų | 75 | 54.9 Ų | 54.9 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | trans | -44.1 | 125.1 | 167.5 | -171.4 | -177.1 | -150.3 | 0 | 0 | 112.4 | K665 L705 F729 S730 | K665-E703 IonicContact NZ-OE1 3.21Å; K665-E703 PolarHBondContact NZ-OE1 3.5Å; K665-E703 IonicContact NZ-OE2 3.27Å; K665-E703 PolarHBondContact NZ-OE2 3.05Å; E703-L705 HydrophobicContact CB-CD2 4.17Å; E703-L705 HydrophobicContact CG-CD2 3.8Å; E703-L705 VanDerWaalsContact O-CD2 3.26Å; E703-L705 WeakPolarHBondContact O-CD2 3.41Å; E703-F729 CarbonylContact O-C 3.57Å; E703-F729 WeakPolarHBondContact O-CA 2.91Å; E703-F729 WeakPolarHBondContact O-CB 3.13Å; E703-S730 PolarHBondContact O-N 3.04Å | ||
| 704 | F | 72.4 | Confident | 68.2 | Low | 30 Ų | 30 | 51 Ų | 51 | 13% | 0.132 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 138.3 | 172.6 | 169.1 | -103.7 | 0 | 0 | 0 | 110.7 | Y673 L681 S702 M706 D707 Y727 L728 F729 | Y673-F704 AromaticContact CD2-CE1 3.96Å; Y673-F704 HydrophobicContact CD2-CE1 3.96Å; Y673-F704 AromaticContact CE2-CE1 3.74Å; Y673-F704 HydrophobicContact CE2-CE1 3.74Å; Y673-F704 HydrophobicContact CE2-CZ 4.03Å; L681-F704 HydrophobicContact CD1-CD2 4.19Å; L681-F704 HydrophobicContact CD1-CE2 4.34Å; L681-F704 HydrophobicContact CD2-CB 4.11Å; L681-F704 HydrophobicContact CD2-CD1 3.95Å; L681-F704 HydrophobicContact CD2-CD2 4.2Å; L681-F704 HydrophobicContact CD2-CE1 4.46Å; L681-F704 HydrophobicContact CD2-CG 3.79Å; S702-F704 PolarHBondContact O-N 3.43Å; F704-M706 VanDerWaalsContact CE2-O 3.29Å; F704-M706 WeakPolarHBondContact CE2-O 3.43Å; F704-M706 VanDerWaalsContact CZ-C 3.45Å; F704-D707 HydrophobicContact CE2-CB 4.12Å; F704-D707 HydrophobicContact CZ-CB 3.96Å; F704-Y727 AromaticContact CE2-CD1 3.89Å; F704-Y727 HydrophobicContact CE2-CD1 3.89Å; F704-Y727 HydrophobicContact CZ-CD1 4.48Å; F704-L728 WeakPolarHBondContact CD2-O 3.42Å; F704-F729 HydrophobicContact CB-CD1 3.76Å; F704-F729 HydrophobicContact CB-CE1 3.74Å; F704-F729 HydrophobicContact CD2-CD1 4.2Å; F704-F729 AromaticContact CD2-CE1 3.89Å; F704-F729 HydrophobicContact CD2-CE1 3.89Å; F704-F729 HydrophobicContact CD2-CE2 4.3Å; F704-F729 AromaticContact CD2-CZ 3.94Å; F704-F729 HydrophobicContact CD2-CZ 3.94Å; F704-F729 HydrophobicContact CG-CE1 4.25Å |
| 705 | L | 71.1 | Confident | 68.7 | Low | 15 Ų | 15 | 47.8 Ų | 47.8 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | -51.7 | -167.3 | -38.7 | -176.9 | 0 | 0 | 0 | 113 | F662 E703 L728 L929 | F662-L705 HydrophobicContact CD1-CB 4.34Å; F662-L705 HydrophobicContact CD2-CB 4.44Å; F662-L705 HydrophobicContact CD2-CD2 3.59Å; F662-L705 HydrophobicContact CD2-CG 4.41Å; F662-L705 HydrophobicContact CE1-CD1 4.08Å; F662-L705 HydrophobicContact CE2-CD1 4.23Å; F662-L705 HydrophobicContact CE2-CD2 3.56Å; F662-L705 HydrophobicContact CE2-CG 4.41Å; F662-L705 HydrophobicContact CG-CB 4.2Å; F662-L705 HydrophobicContact CG-CD2 4.21Å; F662-L705 HydrophobicContact CZ-CD1 3.94Å; F662-L705 HydrophobicContact CZ-CD2 4.12Å; E703-L705 HydrophobicContact CB-CD2 4.17Å; E703-L705 HydrophobicContact CG-CD2 3.8Å; E703-L705 VanDerWaalsContact O-CD2 3.26Å; E703-L705 WeakPolarHBondContact O-CD2 3.41Å; L705-L728 HydrophobicContact CB-CD2 4.42Å; L705-L728 HydrophobicContact CB-CG 4.46Å; L705-L728 HydrophobicContact CD1-CD2 4.05Å; L705-L728 HydrophobicContact CD1-CG 4.01Å; L705-L728 HydrophobicContact CG-CG 4.49Å; L705-L728 PolarHBondContact N-O 2.88Å; L705-L929 HydrophobicContact CD1-CD1 3.56Å; L705-L929 HydrophobicContact CD1-CD2 3.72Å; L705-L929 HydrophobicContact CD1-CG 3.87Å |
| 706 | M | 78.9 | Confident | 69 | Low | 22 Ų | 22 | 50.7 Ų | 50.7 | 11% | 0.108 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 157.1 | 179.2 | 56.1 | 164.9 | 55 | 0 | 0 | 111.3 | T659 F704 L728 W922 A925 | T659-M706 HydrophobicContact CG2-CE 3.56Å; F704-M706 VanDerWaalsContact CE2-O 3.29Å; F704-M706 WeakPolarHBondContact CE2-O 3.43Å; F704-M706 VanDerWaalsContact CZ-C 3.45Å; M706-L728 HydrophobicContact CG-CB 3.85Å; M706-L728 HydrophobicContact CG-CD2 3.84Å; M706-L728 HydrophobicContact CG-CG 4.48Å; M706-L728 PolarHBondContact O-N 3.3Å; M706-L728 HydrophobicContact SD-CD2 4.25Å; M706-W922 HydrophobicContact CG-CH2 4.23Å; M706-W922 HydrophobicContact CG-CZ2 4.43Å; M706-W922 HydrophobicContact CG-CZ3 4.47Å; M706-W922 HydrophobicContact SD-CD2 3.83Å; M706-W922 HydrophobicContact SD-CE3 4.01Å; M706-W922 HydrophobicContact SD-CG 4.33Å; M706-W922 HydrophobicContact SD-CH2 4.17Å; M706-W922 HydrophobicContact SD-CZ2 4.02Å; M706-W922 HydrophobicContact SD-CZ3 4.19Å; M706-A925 HydrophobicContact CE-CB 3.86Å; M706-A925 HydrophobicContact SD-CB 4.22Å |
| 707 | D | 83.6 | Confident | 68.9 | Low | 57 Ų | 57 | 49.5 Ų | 49.5 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 157.5 | 165.9 | 76.4 | -71.7 | 0 | 0 | 0 | 111.4 | Y673 F704 A726 Y727 | Y673-D707 WeakPolarHBondContact CE2-OD1 3.4Å; Y673-D707 VanDerWaalsContact OH-CG 3.23Å; Y673-D707 PolarHBondContact OH-OD1 2.91Å; Y673-D707 PolarHBondContact OH-OD2 3.31Å; F704-D707 HydrophobicContact CE2-CB 4.12Å; F704-D707 HydrophobicContact CZ-CB 3.96Å; D707-A726 CarbonylContact C-O 3.58Å; D707-A726 WeakPolarHBondContact CA-O 3.42Å; D707-A726 VanDerWaalsContact CB-O 3.29Å; D707-A726 WeakPolarHBondContact CB-O 3.41Å; D707-Y727 HydrophobicContact CB-CD1 3.43Å; D707-Y727 VanDerWaalsContact CB-CD1 3.43Å; D707-Y727 HydrophobicContact CB-CE1 3.54Å; D707-Y727 HydrophobicContact CB-CG 3.98Å |
| 708 | G | 84.7 | Confident | 68.9 | Low | 10 Ų | 10 | 55.5 Ų | 55.5 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | 161.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I725 A726 | G708-I725 CarbonylContact O-C 3.57Å; G708-I725 WeakPolarHBondContact O-CA 3.42Å; G708-A726 PolarHBondContact N-O 2.96Å; G708-A726 PolarHBondContact O-N 3.36Å |
| 709 | P | 86.4 | Confident | 69.1 | Low | 97 Ų | 97 | 56.2 Ų | 56.2 | 63% | 0.63 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 133.4 | 171.5 | 31 | -32.9 | 0 | 0 | 0 | 110.2 | R724 | P709-R724 WeakPolarHBondContact CA-O 3.23Å |
| 710 | V | 87.2 | Confident | 69.6 | Low | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 143 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | V712 R724 A726 L735 F911 F913 W922 | V710-V712 HydrophobicContact CB-CG2 4.41Å; V710-V712 HydrophobicContact CG2-CG2 3.83Å; V710-R724 HydrophobicContact CG2-CB 4.04Å; V710-R724 PolarHBondContact N-O 3.11Å; V710-R724 PolarHBondContact O-N 3.17Å; V710-A726 HydrophobicContact CG1-CB 4.11Å; V710-A726 HydrophobicContact CG2-CB 3.69Å; V710-L735 HydrophobicContact CG2-CD2 4.27Å; V710-F911 HydrophobicContact CB-CD1 4.15Å; V710-F911 HydrophobicContact CG1-CD1 4.3Å; V710-F911 HydrophobicContact CG2-CD1 4.28Å; V710-F911 HydrophobicContact CG2-CE1 4.25Å; V710-F913 HydrophobicContact CG1-CE1 3.83Å; V710-F913 HydrophobicContact CG1-CZ 3.97Å; V710-W922 HydrophobicContact CG1-CZ2 4.32Å |
| 711 | Q | 88.3 | Confident | 70.5 | Confident | 36 Ų | 36 | 67 Ų | 67 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132 | 164.7 | -72.5 | -171.5 | 21.2 | 0 | 0 | 109.6 | I912 Y914 | Q711-I912 HydrophobicContact CB-CB 4.05Å; Q711-I912 PolarHBondContact N-O 3.19Å; Q711-I912 PolarHBondContact O-N 2.87Å; Q711-Y914 PolarHBondContact NE2-OH 2.75Å |
| 712 | V | 86.3 | Confident | 71.7 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.4 | -175.6 | -173.2 | 0 | 0 | 0 | 0 | 111 | V710 I714 S722 R724 L735 F909 T910 F911 | V710-V712 HydrophobicContact CB-CG2 4.41Å; V710-V712 HydrophobicContact CG2-CG2 3.83Å; V712-I714 HydrophobicContact CG1-CG1 4.22Å; V712-S722 PolarHBondContact N-O 2.91Å; V712-S722 PolarHBondContact O-N 2.9Å; V712-S722 PolarHBondContact O-OG 2.86Å; V712-R724 HydrophobicContact CG2-CG 4.44Å; V712-L735 HydrophobicContact CG1-CD1 4.28Å; V712-L735 HydrophobicContact CG2-CD1 4.27Å; V712-L735 HydrophobicContact CG2-CD2 4.39Å; V712-F909 HydrophobicContact CG1-CD1 3.94Å; V712-T910 WeakPolarHBondContact CA-O 3.49Å; V712-F911 HydrophobicContact CG2-CD1 3.93Å; V712-F911 HydrophobicContact CG2-CE1 3.83Å; V712-F911 HydrophobicContact CG2-CZ 4.48Å |
| 713 | R | 84.3 | Confident | 72.7 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 17% | 0.17 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 149.2 | 167.5 | -170.9 | -168.3 | -79.3 | 149.5 | -7.2 | 108 | P719 E780 T910 I912 | R713-P719 HydrophobicContact CG-CB 4.02Å; R713-E780 IonicContact CZ-OE1 2.92Å; R713-E780 IonicContact CZ-OE2 3.69Å; R713-E780 IonicContact NH1-OE1 3.37Å; R713-E780 PolarHBondContact NH1-OE1 2.89Å; R713-E780 IonicContact NH1-OE2 3.53Å; R713-E780 IonicContact NH2-OE1 2.63Å; R713-E780 IonicContact NH2-OE2 3.73Å; R713-E780 PolarHBondContact NH2-OE2 2.89Å; R713-T910 PolarHBondContact N-O 2.95Å; R713-T910 PolarHBondContact O-N 3.05Å; R713-I912 HydrophobicContact CB-CD1 4.47Å |
| 714 | I | 74.2 | Confident | 73.9 | Confident | 58 Ų | 58 | 70.8 Ų | 70.8 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | trans | -143.1 | 121.6 | -178.5 | -56.8 | 163.2 | 0 | 0 | 0 | 107.1 | V712 H716 K765 F909 | V712-I714 HydrophobicContact CG1-CG1 4.22Å; I714-H716 PolarHBondContact O-N 3.12Å; I714-K765 HydrophobicContact CD1-CD 4.14Å; I714-F909 HydrophobicContact CG1-CD1 4.17Å; I714-F909 HydrophobicContact CG1-CE1 4.42Å | ||
| 715 | D | 58.9 | Low | 74.6 | Confident | 74 Ų | 74 | 70.4 Ų | 70.4 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -90.5 | 60.1 | -161.8 | -58.8 | -45.3 | 0 | 0 | 0 | 115.2 | ||
| 716 | H | 50.1 | Low | 75.5 | Confident | 174 Ų | 174 | 69.7 Ų | 69.7 | 81% | 0.806 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -136.1 | 94 | 162.8 | -66.1 | -34.1 | 0 | 0 | 0 | 110.5 | I714 | I714-H716 PolarHBondContact O-N 3.12Š|
| 717 | G | 47.2 | Very low | 75.9 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 65% | 0.649 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 93.9 | 169.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P719 | G717-P719 VanDerWaalsContact O-N 3.16Š|
| 718 | R | 49.7 | Very low | 75.9 | Confident | 240 Ų | 240 | 66.8 Ų | 66.8 | 91% | 0.906 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -42.4 | 116.4 | -168.7 | -76.1 | -172.1 | 177.8 | -174.1 | 0.2 | 112.7 | K720 | R718-K720 PolarHBondContact O-N 3.33Š|
| 719 | P | 55.8 | Low | 75.7 | Confident | 88 Ų | 88 | 66.4 Ų | 66.4 | 57% | 0.571 | 33% | 0.331 | S | S | * | . | trans | -76.1 | 91.7 | -161.5 | 29 | -36.6 | 0 | 0 | 0 | 113 | R713 G717 K721 | R713-P719 HydrophobicContact CG-CB 4.02Å; G717-P719 VanDerWaalsContact O-N 3.16Å; P719-K721 PolarHBondContact O-N 3.08Å | ||
| 720 | K | 64.3 | Low | 75 | Confident | 185 Ų | 185 | 62.8 Ų | 62.8 | 80% | 0.804 | 31% | 0.308 | S | S | * | . | trans | -77 | 102.3 | 169.6 | -70.5 | -175.5 | 176.4 | -179.6 | 0 | 109.8 | R718 S722 | R718-K720 PolarHBondContact O-N 3.33Å; K720-S722 PolarHBondContact O-N 3.28Å | ||
| 721 | K | 74 | Confident | 74.3 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | trans | -45.1 | 129.9 | 165.7 | -70.7 | -174.2 | 179.4 | 179.8 | 0 | 108.6 | P719 I912 | P719-K721 PolarHBondContact O-N 3.08Å; K721-I912 HydrophobicContact CG-CD1 4.38Å | ||
| 722 | S | 81.4 | Confident | 74 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 111.8 | -169.6 | 82 | 0 | 0 | 0 | 0 | 113.3 | V712 K720 R724 | V712-S722 PolarHBondContact N-O 2.91Å; V712-S722 PolarHBondContact O-N 2.9Å; V712-S722 PolarHBondContact O-OG 2.86Å; K720-S722 PolarHBondContact O-N 3.28Å; S722-R724 PolarHBondContact O-NH1 2.84Å; S722-R724 VanDerWaalsContact OG-CZ 3.26Å; S722-R724 PolarHBondContact OG-NH1 3.42Å; S722-R724 PolarHBondContact OG-NH2 2.95Å |
| 723 | E | 84.9 | Confident | 74 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 135.9 | 179.5 | -165.2 | -165.4 | 159.5 | 0 | 0 | 112 | ||
| 724 | R | 87.7 | Confident | 74.2 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 15% | 0.151 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 165.4 | 175.4 | -63.1 | -64.6 | -179.5 | -63.6 | -20.9 | 109.7 | P709 V710 V712 S722 L735 C736 | P709-R724 WeakPolarHBondContact CA-O 3.23Å; V710-R724 HydrophobicContact CG2-CB 4.04Å; V710-R724 PolarHBondContact N-O 3.11Å; V710-R724 PolarHBondContact O-N 3.17Å; V712-R724 HydrophobicContact CG2-CG 4.44Å; S722-R724 PolarHBondContact O-NH1 2.84Å; S722-R724 VanDerWaalsContact OG-CZ 3.26Å; S722-R724 PolarHBondContact OG-NH1 3.42Å; S722-R724 PolarHBondContact OG-NH2 2.95Å; R724-L735 HydrophobicContact CG-CB 4.24Å; R724-C736 CarbonylContact C-O 3.57Å; R724-C736 WeakPolarHBondContact CA-O 3.21Å; R724-C736 WeakPolarHBondContact CB-O 3.29Å; R724-C736 WeakPolarHBondContact CD-O 3.44Å |
| 725 | I | 88.3 | Confident | 74.9 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.7 | 155.9 | -61.8 | 175.8 | 0 | 0 | 0 | 106.2 | G708 Y727 C736 K738 L761 | G708-I725 CarbonylContact O-C 3.57Å; G708-I725 WeakPolarHBondContact O-CA 3.42Å; I725-Y727 HydrophobicContact CB-CE2 4.25Å; I725-Y727 HydrophobicContact CG2-CD2 4.12Å; I725-Y727 HydrophobicContact CG2-CE2 3.47Å; I725-Y727 VanDerWaalsContact CG2-CE2 3.47Å; I725-C736 HydrophobicContact CB-CB 4.45Å; I725-C736 PolarHBondContact N-O 3.04Å; I725-C736 WeakPolarHBondContact O-CB 3.43Å; I725-C736 PolarHBondContact O-N 3.41Å; I725-K738 HydrophobicContact CD1-CD 4.08Å; I725-K738 VanDerWaalsContact CD1-CE 3.48Å; I725-K738 HydrophobicContact CD1-CG 4.18Å; I725-L761 HydrophobicContact CD1-CD2 4.2Å |
| 726 | A | 88.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 139.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | D707 G708 V710 L733 L734 L735 W922 | D707-A726 CarbonylContact C-O 3.58Å; D707-A726 WeakPolarHBondContact CA-O 3.42Å; D707-A726 VanDerWaalsContact CB-O 3.29Å; D707-A726 WeakPolarHBondContact CB-O 3.41Å; G708-A726 PolarHBondContact N-O 2.96Å; G708-A726 PolarHBondContact O-N 3.36Å; V710-A726 HydrophobicContact CG1-CB 4.11Å; V710-A726 HydrophobicContact CG2-CB 3.69Å; A726-L733 HydrophobicContact CB-CD1 3.92Å; A726-L734 CarbonylContact C-O 3.59Å; A726-L734 WeakPolarHBondContact CA-O 3.47Å; A726-L735 HydrophobicContact CB-CD2 3.96Å; A726-W922 HydrophobicContact CB-CH2 3.35Å; A726-W922 HydrophobicContact CB-CZ2 3.83Å; A726-W922 HydrophobicContact CB-CZ3 3.99Å |
| 727 | Y | 87 | Confident | 77.9 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 7% | 0.071 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.2 | 166.1 | -68.1 | -97.6 | 0 | 0 | 0 | 108 | L681 L684 F704 D707 I725 L734 C736 L761 | L681-Y727 HydrophobicContact CD1-CD1 3.79Å; L681-Y727 HydrophobicContact CD1-CE1 4.17Å; L684-Y727 HydrophobicContact CD2-CD1 4.11Å; L684-Y727 HydrophobicContact CD2-CD2 3.59Å; L684-Y727 HydrophobicContact CD2-CE1 4.19Å; L684-Y727 HydrophobicContact CD2-CE2 3.64Å; L684-Y727 HydrophobicContact CD2-CG 3.85Å; F704-Y727 AromaticContact CE2-CD1 3.89Å; F704-Y727 HydrophobicContact CE2-CD1 3.89Å; F704-Y727 HydrophobicContact CZ-CD1 4.48Å; D707-Y727 HydrophobicContact CB-CD1 3.43Å; D707-Y727 VanDerWaalsContact CB-CD1 3.43Å; D707-Y727 HydrophobicContact CB-CE1 3.54Å; D707-Y727 HydrophobicContact CB-CG 3.98Å; I725-Y727 HydrophobicContact CB-CE2 4.25Å; I725-Y727 HydrophobicContact CG2-CD2 4.12Å; I725-Y727 HydrophobicContact CG2-CE2 3.47Å; I725-Y727 VanDerWaalsContact CG2-CE2 3.47Å; Y727-L734 PolarHBondContact N-O 3.16Å; Y727-L734 PolarHBondContact O-N 2.72Å; Y727-C736 HydrophobicContact CD2-CB 4.47Å; Y727-C736 HydrophobicContact CE2-CB 4.29Å; Y727-L761 HydrophobicContact CE2-CD1 4.11Å; Y727-L761 WeakPolarHBondContact OH-CD1 3.47Å |
| 728 | L | 84.5 | Confident | 79.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.4 | -178 | -169.9 | 66.9 | 0 | 0 | 0 | 110.8 | F704 L705 M706 L733 L769 W922 A925 L926 L929 | F704-L728 WeakPolarHBondContact CD2-O 3.42Å; L705-L728 HydrophobicContact CB-CD2 4.42Å; L705-L728 HydrophobicContact CB-CG 4.46Å; L705-L728 HydrophobicContact CD1-CD2 4.05Å; L705-L728 HydrophobicContact CD1-CG 4.01Å; L705-L728 HydrophobicContact CG-CG 4.49Å; L705-L728 PolarHBondContact N-O 2.88Å; M706-L728 HydrophobicContact CG-CB 3.85Å; M706-L728 HydrophobicContact CG-CD2 3.84Å; M706-L728 HydrophobicContact CG-CG 4.48Å; M706-L728 PolarHBondContact O-N 3.3Å; M706-L728 HydrophobicContact SD-CD2 4.25Å; L728-L733 HydrophobicContact CB-CD1 4.49Å; L728-L733 HydrophobicContact CD1-CB 4.12Å; L728-L733 HydrophobicContact CD1-CD1 4.06Å; L728-L733 HydrophobicContact CD1-CG 4.5Å; L728-L769 HydrophobicContact CD1-CD1 3.63Å; L728-W922 HydrophobicContact CB-CH2 4.14Å; L728-W922 HydrophobicContact CB-CZ3 3.87Å; L728-W922 HydrophobicContact CD1-CZ3 4.41Å; L728-W922 HydrophobicContact CD2-CZ3 4.25Å; L728-W922 HydrophobicContact CG-CZ3 4.4Å; L728-A925 HydrophobicContact CD2-CB 3.94Å; L728-L926 HydrophobicContact CD1-CD2 3.81Å; L728-L926 HydrophobicContact CD2-CD2 4.47Å; L728-L929 HydrophobicContact CD1-CD1 4.45Å; L728-L929 HydrophobicContact CD2-CD1 4.34Å; L728-L929 HydrophobicContact CG-CD1 4.46Å |
| 729 | F | 79.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 155.8 | 174.1 | -56 | -105 | 0 | 0 | 0 | 108.3 | L681 I685 M701 S702 E703 F704 N731 W732 L734 | L681-F729 HydrophobicContact CD1-CE1 4.4Å; L681-F729 HydrophobicContact CD1-CZ 3.88Å; I685-F729 HydrophobicContact CD1-CE1 4.07Å; I685-F729 HydrophobicContact CD1-CZ 4.31Å; I685-F729 HydrophobicContact CG1-CZ 4.35Å; M701-F729 HydrophobicContact CB-CD1 4.44Å; M701-F729 HydrophobicContact CE-CB 4.01Å; M701-F729 HydrophobicContact CE-CD1 3.62Å; M701-F729 HydrophobicContact CE-CD2 3.21Å; M701-F729 HydrophobicContact CE-CE1 3.75Å; M701-F729 HydrophobicContact CE-CE2 3.37Å; M701-F729 HydrophobicContact CE-CG 3.34Å; M701-F729 HydrophobicContact CE-CZ 3.63Å; S702-F729 WeakPolarHBondContact O-CD1 3.45Å; E703-F729 CarbonylContact O-C 3.57Å; E703-F729 WeakPolarHBondContact O-CA 2.91Å; E703-F729 WeakPolarHBondContact O-CB 3.13Å; F704-F729 HydrophobicContact CB-CD1 3.76Å; F704-F729 HydrophobicContact CB-CE1 3.74Å; F704-F729 HydrophobicContact CD2-CD1 4.2Å; F704-F729 AromaticContact CD2-CE1 3.89Å; F704-F729 HydrophobicContact CD2-CE1 3.89Å; F704-F729 HydrophobicContact CD2-CE2 4.3Å; F704-F729 AromaticContact CD2-CZ 3.94Å; F704-F729 HydrophobicContact CD2-CZ 3.94Å; F704-F729 HydrophobicContact CG-CE1 4.25Å; F729-N731 PolarHBondContact O-N 3.08Å; F729-W732 WeakPolarHBondContact CA-O 3.35Å; F729-W732 HydrophobicContact CB-CB 4.49Å; F729-W732 WeakPolarHBondContact CB-O 3.24Å; F729-W732 PolarHBondContact N-O 2.97Å; F729-W732 PolarHBondContact O-N 3.46Å; F729-L734 HydrophobicContact CD2-CG 4.45Å; F729-L734 HydrophobicContact CE2-CD1 3.81Å; F729-L734 HydrophobicContact CE2-CG 4.1Å; F729-L734 HydrophobicContact CZ-CD1 4.43Å |
| 730 | S | 72.3 | Confident | 80.9 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -0.4 | -174.3 | 59.1 | 0 | 0 | 0 | 0 | 116.6 | S702 E703 L929 | S702-S730 WeakPolarHBondContact CB-OG 3.49Å; S702-S730 WeakPolarHBondContact OG-CA 3.47Å; S702-S730 PolarHBondContact OG-N 3.27Å; S702-S730 PolarHBondContact OG-OG 2.98Å; E703-S730 PolarHBondContact O-N 3.04Å; S730-L929 VanDerWaalsContact CB-CD2 3.5Å |
| 731 | N | 73.2 | Confident | 80.6 | Confident | 35 Ų | 35 | 49 Ų | 49 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.4 | -5.1 | 167.5 | 68.6 | -18.6 | 0 | 0 | 0 | 115.3 | V700 S702 F729 L769 | V700-N731 PolarHBondContact O-ND2 3.13Å; S702-N731 WeakPolarHBondContact CB-OD1 3.31Å; S702-N731 PolarHBondContact N-OD1 2.81Å; S702-N731 PolarHBondContact OG-N 3.48Å; S702-N731 VanDerWaalsContact OG-N 3.13Å; S702-N731 PolarHBondContact OG-OD1 3.22Å; F729-N731 PolarHBondContact O-N 3.08Å; N731-L769 PolarHBondContact O-N 3.39Å |
| 732 | W | 81.1 | Confident | 79.4 | Confident | 39 Ų | 39 | 51.1 Ų | 51.1 | 15% | 0.148 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 138.7 | -176.4 | -73 | 105.6 | 0 | 0 | 0 | 112.6 | L699 V700 M701 F729 L734 R766 I767 C768 | L699-W732 HydrophobicContact CD1-CD2 3.84Å; L699-W732 HydrophobicContact CD1-CE3 4.1Å; L699-W732 HydrophobicContact CD1-CH2 3.66Å; L699-W732 HydrophobicContact CD1-CZ2 3.33Å; L699-W732 HydrophobicContact CD1-CZ3 4.02Å; L699-W732 HydrophobicContact CG-CD2 4.46Å; L699-W732 HydrophobicContact CG-CZ2 4.42Å; V700-W732 PolarHBondContact O-NE1 2.73Å; M701-W732 HydrophobicContact CE-CB 3.82Å; M701-W732 HydrophobicContact CE-CG 4.33Å; M701-W732 HydrophobicContact SD-CB 4.35Å; M701-W732 HydrophobicContact SD-CG 4.25Å; F729-W732 WeakPolarHBondContact CA-O 3.35Å; F729-W732 HydrophobicContact CB-CB 4.49Å; F729-W732 WeakPolarHBondContact CB-O 3.24Å; F729-W732 PolarHBondContact N-O 2.97Å; F729-W732 PolarHBondContact O-N 3.46Å; W732-L734 HydrophobicContact CB-CD2 4.49Å; W732-R766 HydrophobicContact CE3-CB 4.12Å; W732-R766 HydrophobicContact CZ3-CB 4.02Å; W732-I767 CarbonylContact C-O 3.05Å; W732-I767 WeakPolarHBondContact CA-O 3.49Å; W732-I767 VanDerWaalsContact CE3-C 3.46Å; W732-I767 VanDerWaalsContact CE3-O 3.23Å; W732-C768 HydrophobicContact CE3-CB 4.13Å; W732-C768 HydrophobicContact CH2-CB 3.77Å; W732-C768 HydrophobicContact CZ2-CB 4.31Å; W732-C768 HydrophobicContact CZ3-CB 3.68Å |
| 733 | L | 87.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.5 | 166.1 | 173 | 57.1 | 0 | 0 | 0 | 109.3 | A726 L728 L735 I767 L769 L793 F911 W922 | A726-L733 HydrophobicContact CB-CD1 3.92Å; L728-L733 HydrophobicContact CB-CD1 4.49Å; L728-L733 HydrophobicContact CD1-CB 4.12Å; L728-L733 HydrophobicContact CD1-CD1 4.06Å; L728-L733 HydrophobicContact CD1-CG 4.5Å; L733-L735 HydrophobicContact CD1-CD2 4.5Å; L733-L735 HydrophobicContact CG-CD2 4.48Å; L733-I767 HydrophobicContact CB-CB 4.14Å; L733-I767 HydrophobicContact CD2-CD1 4.21Å; L733-I767 HydrophobicContact CG-CD1 4.32Å; L733-I767 PolarHBondContact N-O 3.38Å; L733-I767 PolarHBondContact O-N 3.49Å; L733-L769 HydrophobicContact CB-CD1 4.21Å; L733-L769 HydrophobicContact CB-CD2 4.31Å; L733-L769 HydrophobicContact CB-CG 4.42Å; L733-L793 HydrophobicContact CD2-CD2 4.04Å; L733-F911 HydrophobicContact CD2-CE1 4.3Å; L733-F911 HydrophobicContact CD2-CZ 3.75Å; L733-W922 HydrophobicContact CD1-CH2 4.42Å; L733-W922 HydrophobicContact CD1-CZ3 3.94Å |
| 734 | L | 87.7 | Confident | 75.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.7 | -178.5 | -55.7 | -175.7 | 0 | 0 | 0 | 110.5 | V688 M701 A726 Y727 F729 W732 R766 | V688-L734 HydrophobicContact CG2-CD1 4.41Å; M701-L734 HydrophobicContact CE-CD1 3.82Å; M701-L734 HydrophobicContact CE-CD2 4.49Å; M701-L734 HydrophobicContact CE-CG 4.15Å; M701-L734 HydrophobicContact SD-CD1 4.4Å; A726-L734 CarbonylContact C-O 3.59Å; A726-L734 WeakPolarHBondContact CA-O 3.47Å; Y727-L734 PolarHBondContact N-O 3.16Å; Y727-L734 PolarHBondContact O-N 2.72Å; F729-L734 HydrophobicContact CD2-CG 4.45Å; F729-L734 HydrophobicContact CE2-CD1 3.81Å; F729-L734 HydrophobicContact CE2-CG 4.1Å; F729-L734 HydrophobicContact CZ-CD1 4.43Å; W732-L734 HydrophobicContact CB-CD2 4.49Å; L734-R766 HydrophobicContact CD2-CB 4.08Å; L734-R766 HydrophobicContact CD2-CG 4.04Å |
| 735 | L | 88.5 | Confident | 72.9 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 102.5 | 178.1 | -62.9 | -178.3 | 0 | 0 | 0 | 110.7 | V710 V712 R724 A726 L733 K764 K765 I767 F909 F911 | V710-L735 HydrophobicContact CG2-CD2 4.27Å; V712-L735 HydrophobicContact CG1-CD1 4.28Å; V712-L735 HydrophobicContact CG2-CD1 4.27Å; V712-L735 HydrophobicContact CG2-CD2 4.39Å; R724-L735 HydrophobicContact CG-CB 4.24Å; A726-L735 HydrophobicContact CB-CD2 3.96Å; L733-L735 HydrophobicContact CD1-CD2 4.5Å; L733-L735 HydrophobicContact CG-CD2 4.48Å; L735-K764 PolarHBondContact O-N 3Å; L735-K765 HydrophobicContact CB-CB 4.37Å; L735-K765 HydrophobicContact CD1-CB 4.43Å; L735-K765 PolarHBondContact N-O 3.08Å; L735-K765 PolarHBondContact O-N 3.37Å; L735-I767 HydrophobicContact CD1-CD1 3.96Å; L735-I767 HydrophobicContact CG-CD1 4.33Å; L735-F909 HydrophobicContact CD1-CD1 4.34Å; L735-F909 HydrophobicContact CD1-CE1 4.09Å; L735-F911 HydrophobicContact CD2-CE1 4.08Å; L735-F911 HydrophobicContact CD2-CZ 4.4Å |
| 736 | C | 87.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 146 | -176.7 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | R724 I725 Y727 L761 | R724-C736 CarbonylContact C-O 3.57Å; R724-C736 WeakPolarHBondContact CA-O 3.21Å; R724-C736 WeakPolarHBondContact CB-O 3.29Å; R724-C736 WeakPolarHBondContact CD-O 3.44Å; I725-C736 HydrophobicContact CB-CB 4.45Å; I725-C736 PolarHBondContact N-O 3.04Å; I725-C736 WeakPolarHBondContact O-CB 3.43Å; I725-C736 PolarHBondContact O-N 3.41Å; Y727-C736 HydrophobicContact CD2-CB 4.47Å; Y727-C736 HydrophobicContact CE2-CB 4.29Å; C736-L761 HydrophobicContact CB-CB 4.47Å; C736-L761 HydrophobicContact CB-CD2 4.32Å |
| 737 | K | 85.5 | Confident | 68.2 | Low | 111 Ų | 111 | 74.1 Ų | 74.1 | 48% | 0.483 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.9 | 164.3 | -175.4 | 174.3 | -178.8 | 176 | 0 | 109.8 | Q739 K762 K764 | K737-Q739 PolarHBondContact O-N 2.67Å; K737-K762 PolarHBondContact N-O 3.14Å; K737-K762 PolarHBondContact O-N 2.83Å; K737-K764 HydrophobicContact CB-CG 4.02Å |
| 738 | K | 79.9 | Confident | 65.7 | Low | 123 Ų | 123 | 78.5 Ų | 78.5 | 54% | 0.535 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 122.1 | 166.1 | -77.5 | 169.4 | 167.1 | 158.7 | 0 | 109.2 | I725 L761 | I725-K738 HydrophobicContact CD1-CD 4.08Å; I725-K738 VanDerWaalsContact CD1-CE 3.48Å; I725-K738 HydrophobicContact CD1-CG 4.18Å; K738-L761 HydrophobicContact CG-CD2 3.78Å |
| 739 | Q | 73.1 | Confident | 63.3 | Low | 105 Ų | 105 | 83.9 Ų | 83.9 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.2 | 175.5 | -175 | 167.4 | -11.7 | 0 | 0 | 109.5 | K737 Y759 V760 | K737-Q739 PolarHBondContact O-N 2.67Å; Q739-Y759 WeakPolarHBondContact O-CA 3.37Å; Q739-V760 PolarHBondContact N-O 3.27Å; Q739-V760 PolarHBondContact O-N 2.85Å |
| 740 | K | 61.3 | Low | 61 | Low | 136 Ų | 136 | 88.8 Ų | 88.8 | 59% | 0.591 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 133.9 | 178.1 | -154.9 | 168.1 | -174.2 | 175.1 | 0 | 109.1 | V742 Y759 | K740-V742 PolarHBondContact O-N 3.34Å; K740-Y759 HydrophobicContact CB-CD1 3.93Å; K740-Y759 HydrophobicContact CB-CE1 3.71Å; K740-Y759 HydrophobicContact CD-CE1 3.95Å; K740-Y759 HydrophobicContact CG-CD1 4.12Å; K740-Y759 HydrophobicContact CG-CE1 3.64Å |
| 741 | R | 58.1 | Low | 59.4 | Low | 125 Ų | 125 | 96.2 Ų | 96.2 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | trans | -63.7 | 119.1 | 173.6 | -78.1 | -176.3 | 168.2 | 119.4 | -1.2 | 108.7 | S757 N758 V760 | R741-S757 PolarHBondContact NH1-O 3.41Å; R741-N758 PolarHBondContact N-O 2.93Å; R741-V760 HydrophobicContact CG-CG2 3.81Å; R741-V760 VanDerWaalsContact CZ-CG2 3.45Å | ||
| 742 | V | 48.9 | Very low | 57.3 | Low | 138 Ų | 138 | 99.1 Ų | 99.1 | 84% | 0.836 | 55% | 0.551 | S | S | * | * | trans | -90.5 | 110.1 | 164.8 | 179.4 | 0 | 0 | 0 | 0 | 106.2 | K740 S744 | K740-V742 PolarHBondContact O-N 3.34Å; V742-S744 PolarHBondContact O-N 3.48Å | ||
| 743 | L | 46.9 | Very low | 54.9 | Low | 145 Ų | 145 | 102.6 Ų | 102.6 | 76% | 0.759 | 58% | 0.581 | S | S | * | * | trans | -78.6 | 114 | 174.3 | -69.1 | 170.6 | 0 | 0 | 0 | 108.7 | ||||
| 744 | S | 37.5 | Very low | 52.4 | Low | 107 Ų | 107 | 107.4 Ų | 107.4 | 75% | 0.748 | 62% | 0.615 | S | S | * | * | trans | -76.8 | 130.1 | 165.7 | 50.8 | 0 | 0 | 0 | 0 | 109.6 | V742 V746 | V742-S744 PolarHBondContact O-N 3.48Å; S744-V746 PolarHBondContact O-N 3.38Å; S744-V746 VanDerWaalsContact O-N 3.13Å | ||
| 745 | N | 33.6 | Very low | 49.8 | Very low | 166 Ų | 166 | 113 Ų | 113 | 89% | 0.888 | 65% | 0.654 | S | S | * | * | trans | -52.4 | 110.7 | -170 | -64.6 | -12.4 | 0 | 0 | 0 | 114.7 | ||||
| 746 | V | 38.5 | Very low | 47.5 | Very low | 142 Ų | 142 | 120.2 Ų | 120.2 | 86% | 0.861 | 69% | 0.693 | S | S | * | * | trans | -136.9 | 150.2 | 152.8 | -175.9 | 0 | 0 | 0 | 0 | 107.2 | S744 | S744-V746 PolarHBondContact O-N 3.38Å; S744-V746 VanDerWaalsContact O-N 3.13Å | ||
| 747 | V | 40.1 | Very low | 45.6 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 86% | 0.855 | 72% | 0.717 | S | S | * | * | trans | -75.2 | 150 | -159.8 | 179.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 748 | S | 34 | Very low | 44.1 | Very low | 110 Ų | 110 | 123 Ų | 123 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | trans | -74 | 151.9 | -171 | -37.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 749 | S | 34 | Very low | 43.2 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | -163 | 134.7 | 131.9 | 38.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 750 | S | 32.3 | Very low | 43.1 | Very low | 104 Ų | 104 | 120.3 Ų | 120.3 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | 31.3 | 108.8 | 154.2 | 58.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 751 | L | 37.2 | Very low | 43.7 | Very low | 177 Ų | 177 | 115.8 Ų | 115.8 | 93% | 0.927 | 69% | 0.689 | S | S | * | * | -162.5 | 178.6 | 102.9 | -129.5 | 70.4 | 0 | 0 | 0 | 111.7 | |||||
| 752 | S | 30.4 | Very low | 44.8 | Very low | 97 Ų | 97 | 115.4 Ų | 115.4 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | trans | -101.8 | 161 | -159.3 | 58.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 753 | S | 30.2 | Very low | 46.3 | Very low | 111 Ų | 111 | 110.3 Ų | 110.3 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | trans | 56 | 80.6 | 146.2 | 59.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 754 | S | 33.9 | Very low | 48.1 | Very low | 103 Ų | 103 | 109.4 Ų | 109.4 | 72% | 0.72 | 65% | 0.65 | S | S | * | * | -158.2 | 127.2 | 128.1 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | N756 | S754-N756 PolarHBondContact O-N 2.77Š| |||
| 755 | S | 34.4 | Very low | 50.3 | Low | 118 Ų | 118 | 106.9 Ų | 106.9 | 83% | 0.825 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -100.8 | 72.3 | -171.2 | 56.5 | 0 | 0 | 0 | 0 | 113 | ||
| 756 | N | 40.8 | Very low | 52.5 | Low | 154 Ų | 154 | 102 Ų | 102 | 82% | 0.824 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -163.2 | -8.3 | 163.2 | -107.7 | -29.5 | 0 | 0 | 0 | 117.4 | S754 N758 | S754-N756 PolarHBondContact O-N 2.77Å; N756-N758 PolarHBondContact O-N 2.89Å |
| 757 | S | 47.8 | Very low | 54.7 | Low | 74 Ų | 74 | 95.6 Ų | 95.6 | 52% | 0.517 | 56% | 0.555 | S | S | . | * | trans | -85.8 | 17.9 | -164 | 54 | 0 | 0 | 0 | 0 | 117.3 | R741 Y759 | R741-S757 PolarHBondContact NH1-O 3.41Å; S757-Y759 PolarHBondContact O-N 2.79Å | ||
| 758 | N | 53.5 | Low | 56.5 | Low | 96 Ų | 96 | 90.9 Ų | 90.9 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | trans | -88.7 | 12.1 | -170.9 | -88.9 | -32 | 0 | 0 | 0 | 116.5 | R741 N756 | R741-N758 PolarHBondContact N-O 2.93Å; N756-N758 PolarHBondContact O-N 2.89Å | ||
| 759 | Y | 61.7 | Low | 58.6 | Low | 125 Ų | 125 | 85.9 Ų | 85.9 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.6 | 177.2 | -63.2 | -80.6 | 0 | 0 | 0 | 111.4 | Q739 K740 S757 | Q739-Y759 WeakPolarHBondContact O-CA 3.37Å; K740-Y759 HydrophobicContact CB-CD1 3.93Å; K740-Y759 HydrophobicContact CB-CE1 3.71Å; K740-Y759 HydrophobicContact CD-CE1 3.95Å; K740-Y759 HydrophobicContact CG-CD1 4.12Å; K740-Y759 HydrophobicContact CG-CE1 3.64Å; S757-Y759 PolarHBondContact O-N 2.79Å |
| 760 | V | 70.1 | Confident | 60.4 | Low | 46 Ų | 46 | 86 Ų | 86 | 28% | 0.279 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137 | 170.5 | 173.1 | 0 | 0 | 0 | 0 | 108.8 | Q739 R741 | Q739-V760 PolarHBondContact N-O 3.27Å; Q739-V760 PolarHBondContact O-N 2.85Å; R741-V760 HydrophobicContact CG-CG2 3.81Å; R741-V760 VanDerWaalsContact CZ-CG2 3.45Å |
| 761 | L | 74.3 | Confident | 62.4 | Low | 41 Ų | 41 | 82.3 Ų | 82.3 | 22% | 0.215 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 117.3 | 171.1 | -66.8 | 173.2 | 0 | 0 | 0 | 109.5 | L684 I725 Y727 C736 K738 | L684-L761 HydrophobicContact CD1-CB 4.11Å; I725-L761 HydrophobicContact CD1-CD2 4.2Å; Y727-L761 HydrophobicContact CE2-CD1 4.11Å; Y727-L761 WeakPolarHBondContact OH-CD1 3.47Å; C736-L761 HydrophobicContact CB-CB 4.47Å; C736-L761 HydrophobicContact CB-CD2 4.32Å; K738-L761 HydrophobicContact CG-CD2 3.78Å |
| 762 | K | 79.9 | Confident | 64.5 | Low | 116 Ų | 116 | 74.2 Ų | 74.2 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.3 | 172.2 | -174.5 | 162.7 | -173.8 | 165.2 | 0 | 109.7 | K737 K764 | K737-K762 PolarHBondContact N-O 3.14Å; K737-K762 PolarHBondContact O-N 2.83Å; K762-K764 PolarHBondContact O-N 2.98Å |
| 763 | V | 81.8 | Confident | 66.9 | Low | 31 Ų | 31 | 69.7 Ų | 69.7 | 19% | 0.188 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 131.7 | 171.7 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | L684 V688 K765 R766 | L684-V763 HydrophobicContact CD1-CG2 3.81Å; V688-V763 HydrophobicContact CG2-CB 4.2Å; V688-V763 HydrophobicContact CG2-CG2 3.39Å; V763-K765 WeakPolarHBondContact CG1-O 3.29Å; V763-R766 HydrophobicContact CG1-CG 4Å |
| 764 | K | 83.6 | Confident | 69.6 | Low | 127 Ų | 127 | 64.5 Ų | 64.5 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -27.4 | -178.4 | -87.5 | -67.6 | -171.3 | 177.2 | 0 | 113.5 | L735 K737 K762 | L735-K764 PolarHBondContact O-N 3Å; K737-K764 HydrophobicContact CB-CG 4.02Å; K762-K764 PolarHBondContact O-N 2.98Å |
| 765 | K | 83.7 | Confident | 72.1 | Confident | 53 Ų | 53 | 60.3 Ų | 60.3 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 149.3 | 167 | -82.6 | -171.5 | 165 | -163.4 | 0 | 109.5 | I714 L735 V763 F909 | I714-K765 HydrophobicContact CD1-CD 4.14Å; L735-K765 HydrophobicContact CB-CB 4.37Å; L735-K765 HydrophobicContact CD1-CB 4.43Å; L735-K765 PolarHBondContact N-O 3.08Å; L735-K765 PolarHBondContact O-N 3.37Å; V763-K765 WeakPolarHBondContact CG1-O 3.29Å; K765-F909 HydrophobicContact CD-CE1 3.39Å; K765-F909 HydrophobicContact CD-CZ 3.67Å; K765-F909 VanDerWaalsContact NZ-CZ 3.27Å |
| 766 | R | 81.5 | Confident | 74.6 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.8 | 168.1 | -49.7 | 176.9 | -170.9 | 134.8 | -3.9 | 106.1 | T691 E696 W732 L734 V763 | T691-R766 PolarHBondContact O-NH2 2.99Å; E696-R766 IonicContact OE1-NH1 3.99Å; E696-R766 PolarHBondContact OE1-NH1 3.29Å; E696-R766 IonicContact OE2-CZ 3.44Å; E696-R766 IonicContact OE2-NH1 2.72Å; E696-R766 PolarHBondContact OE2-NH1 3.35Å; E696-R766 IonicContact OE2-NH2 2.66Å; W732-R766 HydrophobicContact CE3-CB 4.12Å; W732-R766 HydrophobicContact CZ3-CB 4.02Å; L734-R766 HydrophobicContact CD2-CB 4.08Å; L734-R766 HydrophobicContact CD2-CG 4.04Å; V763-R766 HydrophobicContact CG1-CG 4Å |
| 767 | I | 83.9 | Confident | 76.5 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.2 | -179.7 | -59.6 | 170.1 | 0 | 0 | 0 | 107.6 | W732 L733 L735 L769 L793 C795 F909 | W732-I767 CarbonylContact C-O 3.05Å; W732-I767 WeakPolarHBondContact CA-O 3.49Å; W732-I767 VanDerWaalsContact CE3-C 3.46Å; W732-I767 VanDerWaalsContact CE3-O 3.23Å; L733-I767 HydrophobicContact CB-CB 4.14Å; L733-I767 HydrophobicContact CD2-CD1 4.21Å; L733-I767 HydrophobicContact CG-CD1 4.32Å; L733-I767 PolarHBondContact N-O 3.38Å; L733-I767 PolarHBondContact O-N 3.49Å; L735-I767 HydrophobicContact CD1-CD1 3.96Å; L735-I767 HydrophobicContact CG-CD1 4.33Å; I767-L769 HydrophobicContact CG2-CD2 4.26Å; I767-L793 HydrophobicContact CG2-CD2 4.43Å; I767-C795 WeakPolarHBondContact CG2-SG 3.44Å; I767-F909 HydrophobicContact CD1-CD1 4.06Å; I767-F909 HydrophobicContact CD1-CD2 4.14Å; I767-F909 HydrophobicContact CD1-CE1 3.61Å; I767-F909 HydrophobicContact CD1-CE2 3.72Å; I767-F909 HydrophobicContact CD1-CG 4.28Å; I767-F909 HydrophobicContact CD1-CZ 3.43Å; I767-F909 VanDerWaalsContact CD1-CZ 3.43Å; I767-F909 HydrophobicContact CG1-CE1 4.19Å; I767-F909 HydrophobicContact CG1-CE2 3.97Å; I767-F909 HydrophobicContact CG1-CZ 3.6Å |
| 768 | C | 78.5 | Confident | 77.8 | Confident | 42 Ų | 42 | 46.3 Ų | 46.3 | 28% | 0.284 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 135.3 | 176.7 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | W732 | W732-C768 HydrophobicContact CE3-CB 4.13Å; W732-C768 HydrophobicContact CH2-CB 3.77Å; W732-C768 HydrophobicContact CZ2-CB 4.31Å; W732-C768 HydrophobicContact CZ3-CB 3.68Å |
| 769 | L | 77.8 | Confident | 78.9 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | trans | -104.7 | 32.5 | -176.8 | -59.4 | 179.4 | 0 | 0 | 0 | 112.5 | L728 N731 L733 I767 F772 L926 L929 | L728-L769 HydrophobicContact CD1-CD1 3.63Å; N731-L769 PolarHBondContact O-N 3.39Å; L733-L769 HydrophobicContact CB-CD1 4.21Å; L733-L769 HydrophobicContact CB-CD2 4.31Å; L733-L769 HydrophobicContact CB-CG 4.42Å; I767-L769 HydrophobicContact CG2-CD2 4.26Å; L769-F772 HydrophobicContact CB-CD1 3.93Å; L769-F772 HydrophobicContact CB-CE1 3.83Å; L769-F772 HydrophobicContact CD2-CD1 4.03Å; L769-F772 HydrophobicContact CD2-CE1 4.3Å; L769-F772 HydrophobicContact CD2-CG 4.3Å; L769-F772 WeakPolarHBondContact O-CE1 3.41Å; L769-L926 HydrophobicContact CD1-CD2 4.3Å; L769-L926 HydrophobicContact CD2-CD2 4.47Å; L769-L929 HydrophobicContact CD1-CD1 4.25Å | ||
| 770 | E | 70.4 | Confident | 79.4 | Confident | 116 Ų | 116 | 40 Ų | 40 | 54% | 0.542 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -78.2 | -45 | 176.5 | -77.1 | 177.9 | -175.1 | 0 | 0 | 112.5 | R360 | R360-E770 VanDerWaalsContact CZ-O 3.24Å; R360-E770 PolarHBondContact NH1-O 2.9Å; R360-E770 PolarHBondContact NH2-O 2.65Å; R360-E770 VanDerWaalsContact NH2-O 3.17Å |
| 771 | Q | 74.2 | Confident | 79.3 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -138.3 | 107.1 | 175.4 | -169.1 | 177.2 | -0.4 | 0 | 0 | 109.5 | L359 W796 | L359-Q771 PolarHBondContact O-NE2 2.79Å; Q771-W796 HydrophobicContact CG-CB 4.19Å; Q771-W796 PolarHBondContact O-N 2.84Å |
| 772 | F | 81.3 | Confident | 79 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 152.3 | -179.1 | 65.9 | -88.1 | 0 | 0 | 0 | 110.3 | L769 I774 L793 E794 L926 H930 | L769-F772 HydrophobicContact CB-CD1 3.93Å; L769-F772 HydrophobicContact CB-CE1 3.83Å; L769-F772 HydrophobicContact CD2-CD1 4.03Å; L769-F772 HydrophobicContact CD2-CE1 4.3Å; L769-F772 HydrophobicContact CD2-CG 4.3Å; L769-F772 WeakPolarHBondContact O-CE1 3.41Å; F772-I774 HydrophobicContact CD2-CG1 4.18Å; F772-I774 HydrophobicContact CE2-CD1 4.13Å; F772-I774 HydrophobicContact CE2-CG1 4.19Å; F772-L793 HydrophobicContact CB-CD1 4.13Å; F772-L793 HydrophobicContact CD2-CD1 3.61Å; F772-L793 HydrophobicContact CE2-CD1 4.42Å; F772-L793 HydrophobicContact CG-CD1 4.19Å; F772-E794 CarbonylContact C-O 3.59Å; F772-E794 VanDerWaalsContact CA-O 3.27Å; F772-E794 WeakPolarHBondContact CA-O 3.45Å; F772-L926 HydrophobicContact CE2-CB 4.37Å; F772-L926 WeakPolarHBondContact CZ-O 3.48Å; F772-H930 HydrophobicContact CE2-CB 4.19Å; F772-H930 HydrophobicContact CZ-CB 3.86Å; F772-H930 PolarHBondContact O-CE1 3.23Å; F772-H930 PolarHBondContact O-ND1 2.81Å |
| 773 | H | 81.1 | Confident | 78 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.2 | 178.7 | 179 | -105.8 | 0 | 0 | 0 | 109.9 | P364 H365 C584 H586 I775 E794 | P364-H773 HydrophobicContact CG-CB 4.39Å; H365-H773 AromaticContact CD2-CE1 3.77Å; H365-H773 AromaticContact CE1-CE1 2.93Å; H365-H773 PolarHBondContact CE1-CE1 2.89Å; H365-H773 AromaticContact CE1-NE2 3.72Å; H365-H773 AromaticContact ND1-CE1 3.92Å; H365-H773 AromaticContact NE2-CE1 2.77Å; H365-H773 PolarHBondContact NE2-CE1 3.05Å; C584-H773 VanDerWaalsContact C-NE2 3.25Å; C584-H773 WeakPolarHBondContact CB-CE1 3.32Å; C584-H773 VanDerWaalsContact CB-NE2 3.29Å; C584-H773 WeakPolarHBondContact CB-NE2 3.34Å; C584-H773 PolarHBondContact O-NE2 3.21Å; H586-H773 AromaticContact CE1-CD2 3.58Å; H586-H773 AromaticContact CE1-NE2 3.93Å; H586-H773 AromaticContact NE2-CD2 3.46Å; H586-H773 PolarHBondContact NE2-CD2 2.92Å; H773-I775 WeakPolarHBondContact CE1-CG1 3.47Å; H773-E794 HydrophobicContact CB-CB 4.36Å; H773-E794 PolarHBondContact N-O 2.76Å; H773-E794 PolarHBondContact O-N 3.06Å |
| 774 | I | 87.2 | Confident | 77 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.6 | -176.8 | -53.8 | 171.8 | 0 | 0 | 0 | 108.5 | I589 F772 F791 L793 L926 V927 | I589-I774 WeakPolarHBondContact CD1-O 3.42Å; F772-I774 HydrophobicContact CD2-CG1 4.18Å; F772-I774 HydrophobicContact CE2-CD1 4.13Å; F772-I774 HydrophobicContact CE2-CG1 4.19Å; I774-F791 HydrophobicContact CG2-CD2 4.25Å; I774-L793 HydrophobicContact CG1-CD1 4.22Å; I774-L926 HydrophobicContact CD1-CB 3.71Å; I774-V927 HydrophobicContact CD1-CG2 3.62Å |
| 775 | I | 86.3 | Confident | 75.7 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.5 | 172.4 | -55.3 | 169.6 | 0 | 0 | 0 | 108.1 | H773 V777 F791 D792 E794 | H773-I775 WeakPolarHBondContact CE1-CG1 3.47Å; I775-V777 HydrophobicContact CG2-CG2 4.19Å; I775-V777 PolarHBondContact O-N 3.44Å; I775-F791 WeakPolarHBondContact O-CA 3.26Å; I775-F791 WeakPolarHBondContact O-CB 3.33Å; I775-D792 HydrophobicContact CB-CB 4.26Å; I775-D792 PolarHBondContact N-O 2.75Å; I775-D792 PolarHBondContact O-N 2.91Å; I775-E794 HydrophobicContact CD1-CG 4.34Å |
| 776 | D | 87 | Confident | 74.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 110.7 | 169.3 | 175.9 | 16.4 | 0 | 0 | 0 | 108.6 | P582 T583 I589 R592 A778 K919 | P582-D776 CarbonylContact C-O 3.59Å; P582-D776 WeakPolarHBondContact CA-O 3.47Å; P582-D776 WeakPolarHBondContact CB-O 3.48Å; T583-D776 HydrophobicContact CG2-CB 3.95Å; T583-D776 PolarHBondContact N-O 3.05Å; T583-D776 VanDerWaalsContact N-O 3.1Å; T583-D776 PolarHBondContact O-N 2.87Å; I589-D776 HydrophobicContact CG1-CB 4.42Å; R592-D776 IonicContact NH1-OD2 2.77Å; R592-D776 PolarHBondContact NH1-OD2 3.26Å; D776-A778 VanDerWaalsContact C-N 3.33Å; D776-A778 PolarHBondContact OD1-N 2.92Å; D776-K919 WeakPolarHBondContact OD1-CE 3.4Å; D776-K919 IonicContact OD1-NZ 3Å; D776-K919 PolarHBondContact OD1-NZ 3.47Å |
| 777 | V | 81.1 | Confident | 74.7 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 16.2 | 179.8 | -166.6 | 0 | 0 | 0 | 0 | 110.9 | I775 S779 L790 D792 | I775-V777 HydrophobicContact CG2-CG2 4.19Å; I775-V777 PolarHBondContact O-N 3.44Å; V777-S779 PolarHBondContact O-N 3.15Å; V777-L790 HydrophobicContact CB-CB 4.21Å; V777-L790 PolarHBondContact N-O 3.34Å; V777-D792 HydrophobicContact CG2-CB 4.26Å |
| 778 | A | 75.1 | Confident | 74.7 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.1 | -107.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I580 D776 L790 K919 | I580-A778 HydrophobicContact CB-CB 3.96Å; I580-A778 HydrophobicContact CG2-CB 4.45Å; I580-A778 WeakPolarHBondContact O-CB 3.28Å; D776-A778 VanDerWaalsContact C-N 3.33Å; D776-A778 PolarHBondContact OD1-N 2.92Å; A778-L790 PolarHBondContact O-N 3.2Å; A778-K919 PolarHBondContact O-NZ 2.88Å |
| 779 | S | 76.5 | Confident | 75.1 | Confident | 24 Ų | 24 | 52 Ų | 52 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 136.1 | -177.1 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | V777 M787 L788 | V777-S779 PolarHBondContact O-N 3.15Å; S779-M787 WeakPolarHBondContact OG-CE 3.46Å; S779-L788 CarbonylContact C-O 3.49Å; S779-L788 WeakPolarHBondContact CA-O 3.23Å; S779-L788 WeakPolarHBondContact CB-O 3.45Å |
| 780 | E | 72.1 | Confident | 75.6 | Confident | 64 Ų | 64 | 51.7 Ų | 51.7 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 136.2 | 170.1 | -72.7 | 173.3 | -172.2 | 0 | 0 | 109.2 | R713 L788 L790 | R713-E780 IonicContact CZ-OE1 2.92Å; R713-E780 IonicContact CZ-OE2 3.69Å; R713-E780 IonicContact NH1-OE1 3.37Å; R713-E780 PolarHBondContact NH1-OE1 2.89Å; R713-E780 IonicContact NH1-OE2 3.53Å; R713-E780 IonicContact NH2-OE1 2.63Å; R713-E780 IonicContact NH2-OE2 3.73Å; R713-E780 PolarHBondContact NH2-OE2 2.89Å; E780-L788 PolarHBondContact N-O 3.31Å; E780-L788 PolarHBondContact O-N 3.36Å; E780-L790 HydrophobicContact CB-CD1 3.65Å; E780-L790 HydrophobicContact CG-CD1 3.72Å; E780-L790 HydrophobicContact CG-CD2 4.02Å; E780-L790 WeakPolarHBondContact OE1-CD2 3.47Å |
| 781 | F | 68.6 | Low | 76.6 | Confident | 142 Ų | 142 | 46.2 Ų | 46.2 | 62% | 0.623 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.1 | 159.9 | -80.1 | -92.8 | 0 | 0 | 0 | 109.2 | M787 | F781-M787 HydrophobicContact CD1-SD 3.62Å; F781-M787 HydrophobicContact CD2-SD 3.68Å; F781-M787 HydrophobicContact CE1-CG 4.3Å; F781-M787 HydrophobicContact CE1-SD 3.51Å; F781-M787 VanDerWaalsContact CE1-SD 3.51Å; F781-M787 HydrophobicContact CE2-CE 4.12Å; F781-M787 HydrophobicContact CE2-SD 3.58Å; F781-M787 VanDerWaalsContact CE2-SD 3.58Å; F781-M787 HydrophobicContact CG-SD 3.71Å; F781-M787 HydrophobicContact CZ-CE 4.26Å; F781-M787 HydrophobicContact CZ-SD 3.49Å; F781-M787 WeakPolarHBondContact CZ-SD 3.33Å |
| 782 | S | 67.6 | Low | 77.3 | Confident | 28 Ų | 28 | 45.5 Ų | 45.5 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 150.7 | 174 | -162.5 | 0 | 0 | 0 | 0 | 111.6 | N784 N785 G786 | S782-N784 PolarHBondContact O-N 3.01Å; S782-N785 PolarHBondContact O-N 2.93Å; S782-G786 WeakPolarHBondContact CB-O 3.33Å; S782-G786 PolarHBondContact N-O 2.93Å |
| 783 | D | 59.8 | Low | 77.6 | Confident | 155 Ų | 155 | 45.2 Ų | 45.2 | 83% | 0.829 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | -13.8 | 179 | -38.4 | -48 | 0 | 0 | 0 | 117.2 | ||
| 784 | N | 60.8 | Low | 77.8 | Confident | 150 Ų | 150 | 45.4 Ų | 45.4 | 80% | 0.802 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 27.4 | 179.5 | -67.4 | 4.9 | 0 | 0 | 0 | 112.8 | S782 G786 | S782-N784 PolarHBondContact O-N 3.01Å; N784-G786 PolarHBondContact O-N 3.11Å; N784-G786 VanDerWaalsContact O-N 3.12Å |
| 785 | N | 55.3 | Low | 77.4 | Confident | 162 Ų | 162 | 46.1 Ų | 46.1 | 87% | 0.866 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 22 | -175.5 | -67.4 | 0.5 | 0 | 0 | 0 | 115.4 | S782 | S782-N785 PolarHBondContact O-N 2.93Š|
| 786 | G | 67.1 | Low | 76.6 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S782 N784 | S782-G786 WeakPolarHBondContact CB-O 3.33Å; S782-G786 PolarHBondContact N-O 2.93Å; N784-G786 PolarHBondContact O-N 3.11Å; N784-G786 VanDerWaalsContact O-N 3.12Å |
| 787 | M | 77.9 | Confident | 75.4 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 28% | 0.281 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 134.5 | 167.7 | -73.4 | -66 | -89.8 | 0 | 0 | 110.2 | S779 F781 F789 | S779-M787 WeakPolarHBondContact OG-CE 3.46Å; F781-M787 HydrophobicContact CD1-SD 3.62Å; F781-M787 HydrophobicContact CD2-SD 3.68Å; F781-M787 HydrophobicContact CE1-CG 4.3Å; F781-M787 HydrophobicContact CE1-SD 3.51Å; F781-M787 VanDerWaalsContact CE1-SD 3.51Å; F781-M787 HydrophobicContact CE2-CE 4.12Å; F781-M787 HydrophobicContact CE2-SD 3.58Å; F781-M787 VanDerWaalsContact CE2-SD 3.58Å; F781-M787 HydrophobicContact CG-SD 3.71Å; F781-M787 HydrophobicContact CZ-CE 4.26Å; F781-M787 HydrophobicContact CZ-SD 3.49Å; F781-M787 WeakPolarHBondContact CZ-SD 3.33Å; M787-F789 HydrophobicContact CB-CZ 4.45Å |
| 788 | L | 83.2 | Confident | 74.1 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.4 | 171.4 | -62.7 | 177.1 | 0 | 0 | 0 | 109.1 | S779 E780 L790 I912 Y914 | S779-L788 CarbonylContact C-O 3.49Å; S779-L788 WeakPolarHBondContact CA-O 3.23Å; S779-L788 WeakPolarHBondContact CB-O 3.45Å; E780-L788 PolarHBondContact N-O 3.31Å; E780-L788 PolarHBondContact O-N 3.36Å; L788-L790 HydrophobicContact CB-CD1 3.77Å; L788-L790 WeakPolarHBondContact O-CD1 3.44Å; L788-I912 HydrophobicContact CB-CG2 4.14Å; L788-I912 HydrophobicContact CD1-CG2 4.01Å; L788-I912 HydrophobicContact CD2-CG2 4.2Å; L788-I912 HydrophobicContact CG-CG2 4.35Å; L788-Y914 HydrophobicContact CD2-CD1 3.64Å; L788-Y914 HydrophobicContact CD2-CE1 3.64Å |
| 789 | F | 86.2 | Confident | 72.9 | Confident | 48 Ų | 48 | 52.5 Ų | 52.5 | 21% | 0.211 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 124.1 | 178 | -60 | -77 | 0 | 0 | 0 | 109.3 | M787 F913 K916 K919 | M787-F789 HydrophobicContact CB-CZ 4.45Å; F789-F913 HydrophobicContact CB-CB 4.43Å; F789-F913 PolarHBondContact N-O 3.34Å; F789-F913 PolarHBondContact O-N 3.44Å; F789-K916 HydrophobicContact CD1-CB 4.02Å; F789-K916 HydrophobicContact CD2-CB 4.18Å; F789-K916 HydrophobicContact CE1-CB 3.89Å; F789-K916 HydrophobicContact CE2-CB 4.05Å; F789-K916 HydrophobicContact CG-CB 4.17Å; F789-K916 HydrophobicContact CZ-CB 3.9Å; F789-K919 HydrophobicContact CB-CB 4.09Å; F789-K919 HydrophobicContact CB-CD 3.79Å |
| 790 | L | 89.1 | Confident | 71.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 148.2 | -168.3 | -61.2 | 89.8 | 0 | 0 | 0 | 113 | V777 A778 E780 L788 T910 F911 I912 K919 | V777-L790 HydrophobicContact CB-CB 4.21Å; V777-L790 PolarHBondContact N-O 3.34Å; A778-L790 PolarHBondContact O-N 3.2Å; E780-L790 HydrophobicContact CB-CD1 3.65Å; E780-L790 HydrophobicContact CG-CD1 3.72Å; E780-L790 HydrophobicContact CG-CD2 4.02Å; E780-L790 WeakPolarHBondContact OE1-CD2 3.47Å; L788-L790 HydrophobicContact CB-CD1 3.77Å; L788-L790 WeakPolarHBondContact O-CD1 3.44Å; L790-T910 HydrophobicContact CB-CG2 4.23Å; L790-T910 HydrophobicContact CD2-CG2 3.7Å; L790-T910 HydrophobicContact CG-CG2 4.48Å; L790-F911 WeakPolarHBondContact CA-O 3.48Å; L790-I912 HydrophobicContact CD2-CD1 4.28Å; L790-I912 HydrophobicContact CD2-CG1 3.88Å; L790-I912 HydrophobicContact CG-CG1 4.24Å; L790-I912 HydrophobicContact CG-CG2 4.32Å; L790-K919 VanDerWaalsContact O-CE 3.3Å; L790-K919 WeakPolarHBondContact O-CE 3.45Å; L790-K919 PolarHBondContact O-NZ 2.95Å |
| 791 | F | 91 | Very high | 70 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.6 | 161.2 | 75.1 | -99.2 | 0 | 0 | 0 | 110.1 | I774 I775 L793 T910 F911 F913 K919 W922 I923 L926 | I774-F791 HydrophobicContact CG2-CD2 4.25Å; I775-F791 WeakPolarHBondContact O-CA 3.26Å; I775-F791 WeakPolarHBondContact O-CB 3.33Å; F791-L793 HydrophobicContact CE2-CB 4.33Å; F791-T910 WeakPolarHBondContact O-CA 3.45Å; F791-F911 HydrophobicContact CD1-CB 4.17Å; F791-F911 HydrophobicContact CD2-CD2 4.39Å; F791-F911 HydrophobicContact CE1-CB 3.86Å; F791-F911 HydrophobicContact CE1-CG 4.37Å; F791-F911 HydrophobicContact CE2-CB 4.21Å; F791-F911 AromaticContact CE2-CD2 3.74Å; F791-F911 HydrophobicContact CE2-CD2 3.74Å; F791-F911 HydrophobicContact CE2-CE2 4.45Å; F791-F911 HydrophobicContact CE2-CG 4.13Å; F791-F911 HydrophobicContact CZ-CB 3.87Å; F791-F911 AromaticContact CZ-CD2 3.97Å; F791-F911 HydrophobicContact CZ-CD2 3.97Å; F791-F911 AromaticContact CZ-CG 3.89Å; F791-F911 HydrophobicContact CZ-CG 3.89Å; F791-F911 PolarHBondContact N-O 2.72Å; F791-F911 PolarHBondContact O-N 2.9Å; F791-F913 AromaticContact CD1-CE2 3.9Å; F791-F913 HydrophobicContact CD1-CE2 3.9Å; F791-F913 AromaticContact CE1-CE2 3.54Å; F791-F913 HydrophobicContact CE1-CE2 3.54Å; F791-F913 HydrophobicContact CE1-CZ 4.01Å; F791-K919 HydrophobicContact CD1-CG 4.4Å; F791-W922 HydrophobicContact CE1-CB 3.9Å; F791-W922 HydrophobicContact CZ-CB 4.24Å; F791-I923 HydrophobicContact CB-CD1 3.94Å; F791-I923 HydrophobicContact CB-CG1 4.33Å; F791-I923 HydrophobicContact CD1-CD1 3.87Å; F791-I923 HydrophobicContact CD1-CG1 3.58Å; F791-I923 HydrophobicContact CE1-CG1 3.91Å; F791-I923 HydrophobicContact CG-CD1 4.08Å; F791-I923 HydrophobicContact CG-CG1 3.94Å; F791-L926 HydrophobicContact CE2-CD1 3.85Å; F791-L926 HydrophobicContact CZ-CD1 3.76Å |
| 792 | D | 88.5 | Confident | 68.4 | Low | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.053 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.9 | 172.1 | -79.8 | -45.7 | 0 | 0 | 0 | 110.7 | I775 V777 R908 F909 T910 | I775-D792 HydrophobicContact CB-CB 4.26Å; I775-D792 PolarHBondContact N-O 2.75Å; I775-D792 PolarHBondContact O-N 2.91Å; V777-D792 HydrophobicContact CG2-CB 4.26Å; D792-R908 HydrophobicContact CB-CG 4.32Å; D792-R908 VanDerWaalsContact CG-NE 3.26Å; D792-R908 IonicContact OD1-NE 3.34Å; D792-R908 IonicContact OD2-CZ 3.58Å; D792-R908 IonicContact OD2-NE 2.67Å; D792-R908 PolarHBondContact OD2-NE 2.88Å; D792-R908 IonicContact OD2-NH2 3.48Å; D792-R908 PolarHBondContact OD2-NH2 3.04Å; D792-F909 WeakPolarHBondContact CA-O 3.33Å; D792-T910 WeakPolarHBondContact OD1-CA 3.15Å; D792-T910 WeakPolarHBondContact OD1-CB 3.48Å; D792-T910 VanDerWaalsContact OD1-CG2 3.31Å; D792-T910 WeakPolarHBondContact OD1-CG2 3.42Å; D792-T910 PolarHBondContact OD1-N 3.35Å; D792-T910 PolarHBondContact OD1-OG1 3.4Å |
| 793 | L | 89.1 | Confident | 66.9 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.6 | 170.5 | -176.1 | 72.5 | 0 | 0 | 0 | 108.9 | L733 I767 F772 I774 F791 F909 F911 | L733-L793 HydrophobicContact CD2-CD2 4.04Å; I767-L793 HydrophobicContact CG2-CD2 4.43Å; F772-L793 HydrophobicContact CB-CD1 4.13Å; F772-L793 HydrophobicContact CD2-CD1 3.61Å; F772-L793 HydrophobicContact CE2-CD1 4.42Å; F772-L793 HydrophobicContact CG-CD1 4.19Å; I774-L793 HydrophobicContact CG1-CD1 4.22Å; F791-L793 HydrophobicContact CE2-CB 4.33Å; L793-F909 HydrophobicContact CB-CB 4.37Å; L793-F909 PolarHBondContact N-O 2.77Å; L793-F909 PolarHBondContact O-N 2.73Å; L793-F911 HydrophobicContact CB-CD2 4.28Å; L793-F911 HydrophobicContact CB-CE2 3.89Å; L793-F911 HydrophobicContact CD2-CE2 4.06Å |
| 794 | E | 84.5 | Confident | 66 | Low | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.4 | 176.6 | -62.8 | -160.3 | 150.2 | 0 | 0 | 110.6 | F772 H773 I775 P905 R908 | F772-E794 CarbonylContact C-O 3.59Å; F772-E794 VanDerWaalsContact CA-O 3.27Å; F772-E794 WeakPolarHBondContact CA-O 3.45Å; H773-E794 HydrophobicContact CB-CB 4.36Å; H773-E794 PolarHBondContact N-O 2.76Å; H773-E794 PolarHBondContact O-N 3.06Å; I775-E794 HydrophobicContact CD1-CG 4.34Å; E794-P905 HydrophobicContact CB-CB 4.02Å; E794-P905 HydrophobicContact CG-CB 4.35Å; E794-P905 HydrophobicContact CG-CG 4.39Å; E794-R908 HydrophobicContact CG-CB 4.37Å; E794-R908 HydrophobicContact CG-CG 4.03Å; E794-R908 WeakPolarHBondContact OE1-CD 3.38Å; E794-R908 IonicContact OE1-CZ 3.66Å; E794-R908 IonicContact OE1-NE 2.65Å; E794-R908 IonicContact OE1-NH1 2.76Å; E794-R908 PolarHBondContact OE1-NH1 2.89Å |
| 795 | C | 78.7 | Confident | 64.7 | Low | 17 Ų | 17 | 53.6 Ų | 53.6 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.6 | -174.9 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | I767 K906 Q907 | I767-C795 WeakPolarHBondContact CG2-SG 3.44Å; C795-K906 PolarHBondContact O-N 2.78Å; C795-Q907 PolarHBondContact N-O 2.97Å; C795-Q907 PolarHBondContact O-N 2.91Å |
| 796 | W | 70.2 | Confident | 63.7 | Low | 37 Ų | 37 | 49 Ų | 49 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | trans | -106.9 | 152.7 | -173.6 | -61.7 | 79.6 | 0 | 0 | 0 | 110.3 | P364 Q771 I901 S903 P905 | P364-W796 HydrophobicContact CB-CD2 3.89Å; P364-W796 HydrophobicContact CB-CE3 3.99Å; P364-W796 HydrophobicContact CB-CH2 3.72Å; P364-W796 HydrophobicContact CB-CZ2 3.6Å; P364-W796 HydrophobicContact CB-CZ3 3.89Å; P364-W796 HydrophobicContact CG-CD2 4.23Å; P364-W796 HydrophobicContact CG-CH2 4.23Å; P364-W796 HydrophobicContact CG-CZ2 3.61Å; P364-W796 WeakPolarHBondContact O-CH2 3.28Å; Q771-W796 HydrophobicContact CG-CB 4.19Å; Q771-W796 PolarHBondContact O-N 2.84Å; W796-I901 WeakPolarHBondContact CZ3-O 3.5Å; W796-S903 WeakPolarHBondContact CZ3-O 3.43Å; W796-P905 HydrophobicContact CD2-CB 4.3Å; W796-P905 HydrophobicContact CH2-CB 4.15Å; W796-P905 HydrophobicContact CZ2-CB 3.69Å; W796-P905 HydrophobicContact CZ2-CG 4.2Å | ||
| 797 | E | 60.3 | Low | 62.2 | Low | 92 Ų | 92 | 53.2 Ų | 53.2 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 120.1 | 174.7 | -178.6 | 167.8 | -175.7 | 0 | 0 | 109.7 | K800 K906 | E797-K800 VanDerWaalsContact OE1-CE 3.27Å; E797-K800 WeakPolarHBondContact OE1-CE 3.49Å; E797-K800 IonicContact OE1-NZ 3.33Å; E797-K800 PolarHBondContact OE1-NZ 2.78Å; E797-K906 HydrophobicContact CB-CD 3.92Å; E797-K906 IonicContact OE1-NZ 3.99Å; E797-K906 WeakPolarHBondContact OE2-CD 3.36Å; E797-K906 WeakPolarHBondContact OE2-CE 3.47Å; E797-K906 IonicContact OE2-NZ 3.23Å; E797-K906 PolarHBondContact OE2-NZ 3.27Å |
| 798 | A | 55.4 | Low | 60.2 | Low | 47 Ų | 47 | 56.2 Ų | 56.2 | 39% | 0.388 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 128.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | K800 | A798-K800 PolarHBondContact O-N 2.68Š|
| 799 | P | 48.4 | Very low | 57.6 | Low | 24 Ų | 24 | 64.3 Ų | 64.3 | 16% | 0.156 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 127.6 | -177.1 | 22.8 | -32.9 | 0 | 0 | 0 | 111.2 | L359 L801 | L359-P799 HydrophobicContact CD1-CG 3.52Å; L359-P799 HydrophobicContact CD2-CG 3.9Å; L359-P799 HydrophobicContact CG-CG 4.37Å; P799-L801 PolarHBondContact O-N 2.96Å; P799-L801 VanDerWaalsContact O-N 3.08Å |
| 800 | K | 46.4 | Very low | 54.9 | Low | 124 Ų | 124 | 66.8 Ų | 66.8 | 54% | 0.539 | 37% | 0.369 | S | S | . | . | trans | -76 | 98.2 | -179.2 | -67.5 | 159.2 | -170.2 | 149.1 | 0 | 108.4 | E797 A798 S802 S803 | E797-K800 VanDerWaalsContact OE1-CE 3.27Å; E797-K800 WeakPolarHBondContact OE1-CE 3.49Å; E797-K800 IonicContact OE1-NZ 3.33Å; E797-K800 PolarHBondContact OE1-NZ 2.78Å; A798-K800 PolarHBondContact O-N 2.68Å; K800-S802 PolarHBondContact O-N 3.13Å; K800-S803 PolarHBondContact O-N 3.43Å; K800-S803 PolarHBondContact O-OG 2.99Å | ||
| 801 | L | 41.2 | Very low | 51.9 | Low | 116 Ų | 116 | 74.6 Ų | 74.6 | 61% | 0.607 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -45.7 | -34.8 | -178.3 | -92.5 | 84 | 0 | 0 | 0 | 113.8 | P799 S803 I804 M805 | P799-L801 PolarHBondContact O-N 2.96Å; P799-L801 VanDerWaalsContact O-N 3.08Å; L801-S803 PolarHBondContact O-N 3.15Å; L801-I804 PolarHBondContact O-N 3.35Å; L801-I804 VanDerWaalsContact O-N 3.13Å; L801-M805 PolarHBondContact O-N 2.95Å |
| 802 | S | 35.9 | Very low | 48.9 | Very low | 89 Ų | 89 | 80.8 Ų | 80.8 | 62% | 0.622 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61 | -22.7 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 115.4 | K800 | K800-S802 PolarHBondContact O-N 3.13Å |
| 803 | S | 36.5 | Very low | 46.2 | Very low | 60 Ų | 60 | 86.9 Ų | 86.9 | 42% | 0.42 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -92.2 | -13.2 | 175.4 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | K800 L801 S806 N807 | K800-S803 PolarHBondContact O-N 3.43Å; K800-S803 PolarHBondContact O-OG 2.99Å; L801-S803 PolarHBondContact O-N 3.15Å; S803-S806 WeakPolarHBondContact CA-OG 3.45Å; S803-S806 PolarHBondContact O-OG 3.32Å; S803-S806 VanDerWaalsContact O-OG 3.05Å; S803-N807 PolarHBondContact O-OD1 3.28Å |
| 804 | I | 40.1 | Very low | 43.5 | Very low | 42 Ų | 42 | 92.6 Ų | 92.6 | 22% | 0.215 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -79.1 | -45 | 175.1 | -59.8 | 179.6 | 0 | 0 | 0 | 109 | L801 S806 N807 L897 | L801-I804 PolarHBondContact O-N 3.35Å; L801-I804 VanDerWaalsContact O-N 3.13Å; I804-S806 VanDerWaalsContact C-N 3.28Å; I804-S806 PolarHBondContact O-N 2.79Å; I804-N807 PolarHBondContact O-N 3.23Å; I804-L897 HydrophobicContact CD1-CD1 3.77Å; I804-L897 HydrophobicContact CD1-CG 4.07Å |
| 805 | M | 34 | Very low | 40.7 | Very low | 155 Ų | 155 | 97.9 Ų | 97.9 | 76% | 0.764 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.9 | -25.6 | 178.9 | -62.5 | -170.1 | 74.9 | 0 | 0 | 113.9 | L801 | L801-M805 PolarHBondContact O-N 2.95Å |
| 806 | S | 33.8 | Very low | 38.5 | Very low | 65 Ų | 65 | 102.3 Ų | 102.3 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74.9 | -32.1 | 176 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | S803 I804 | S803-S806 WeakPolarHBondContact CA-OG 3.45Å; S803-S806 PolarHBondContact O-OG 3.32Å; S803-S806 VanDerWaalsContact O-OG 3.05Å; I804-S806 VanDerWaalsContact C-N 3.28Å; I804-S806 PolarHBondContact O-N 2.79Å |
| 807 | N | 35 | Very low | 36.4 | Very low | 121 Ų | 121 | 105.8 Ų | 105.8 | 65% | 0.647 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -86.5 | -9 | -171.6 | -73.7 | 19 | 0 | 0 | 0 | 113.7 | S803 I804 | S803-N807 PolarHBondContact O-OD1 3.28Å; I804-N807 PolarHBondContact O-N 3.23Å |
| 808 | V | 36.4 | Very low | 34.7 | Very low | 120 Ų | 120 | 108.9 Ų | 108.9 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -13.2 | 178.2 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 809 | Q | 29.8 | Very low | 33.4 | Very low | 174 Ų | 174 | 111.8 Ų | 111.8 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -0.7 | -178.7 | -75.6 | -168.3 | -29.9 | 0 | 0 | 115.6 | ||
| 810 | T | 27.8 | Very low | 32.2 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 61% | 0.613 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -140 | 94.9 | 178.1 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 811 | N | 27.9 | Very low | 31.2 | Very low | 164 Ų | 164 | 115.7 Ų | 115.7 | 88% | 0.877 | 70% | 0.699 | S | S | * | * | trans | 179.2 | 88.6 | 143.7 | -92.6 | -20.1 | 0 | 0 | 0 | 111.7 | ||||
| 812 | T | 26.6 | Very low | 30.4 | Very low | 131 Ų | 131 | 115.6 Ų | 115.6 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -136.9 | 139.4 | 154 | 45.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 813 | T | 31.8 | Very low | 29.9 | Very low | 138 Ų | 138 | 119.2 Ų | 119.2 | 85% | 0.847 | 71% | 0.71 | S | S | * | * | trans | 64.7 | 141.4 | -166.9 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 814 | S | 32.1 | Very low | 29.3 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | cis | -153.8 | 164.6 | -9.2 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 815 | S | 26.8 | Very low | 28.6 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -90.4 | 138.8 | -171 | 54.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 816 | S | 32.2 | Very low | 28.2 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -170.8 | 120.8 | 141.3 | 59.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 817 | C | 25 | Very low | 27.7 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 46.2 | 111.3 | 135.4 | -53.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 818 | N | 25.4 | Very low | 27.3 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | 73.9 | 132.3 | 125.8 | -62.6 | 1.9 | 0 | 0 | 0 | 124.5 | |||||
| 819 | S | 27.2 | Very low | 26.7 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 93.6 | 93.5 | 139.4 | -133.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 820 | S | 24.4 | Very low | 26.5 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | 64.8 | 132 | 118.6 | 70.6 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 821 | V | 24.8 | Very low | 26.3 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | 92.1 | 109.1 | 130.6 | 158.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 822 | V | 25.7 | Very low | 26.1 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 89.5 | 108.1 | 133.3 | 165 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 823 | Q | 24.4 | Very low | 26 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | 77.4 | 144.1 | 130 | -71.4 | -178.5 | -21.7 | 0 | 0 | 126.3 | |||||
| 824 | T | 25.1 | Very low | 25.7 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | 77 | 101.2 | 143.6 | 41.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 825 | E | 23.8 | Very low | 25.4 | Very low | 191 Ų | 191 | 124.3 Ų | 124.3 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | 76.4 | 162.8 | 120.3 | -70.2 | -172.7 | 175.7 | 0 | 0 | 122.3 | |||||
| 826 | T | 25.4 | Very low | 25.3 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -113.3 | 144.4 | -154.2 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 827 | Q | 24.7 | Very low | 25.1 | Very low | 171 Ų | 171 | 129 Ų | 129 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | 169.3 | 147.9 | 107.7 | -90.7 | -172.2 | 31 | 0 | 0 | 114.9 | |||||
| 828 | S | 25 | Very low | 25 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | 82.8 | 128 | 142.6 | 75.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 829 | V | 25 | Very low | 25.1 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | 88.9 | 110.6 | 128.4 | 166.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 830 | L | 24.6 | Very low | 24.8 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | 63.5 | 119 | 141.8 | -69.1 | 175.2 | 0 | 0 | 0 | 125.1 | ||||
| 831 | S | 24 | Very low | 24.8 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | 71.2 | 148.6 | 132.4 | 71.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 832 | G | 24.5 | Very low | 24.9 | Very low | 77 Ų | 77 | 139.7 Ų | 139.7 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | 163.2 | 19.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 833 | S | 24.9 | Very low | 24.7 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | 30.2 | 116.3 | 158.3 | -150.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 834 | S | 24.7 | Very low | 24.8 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | 70.9 | 143.4 | 124 | 70.3 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 835 | N | 26 | Very low | 24.8 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 75.8 | 148.1 | 149.3 | -62.7 | -4.9 | 0 | 0 | 0 | 119.2 | ||||
| 836 | H | 24.6 | Very low | 24.8 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 65% | 0.648 | 77% | 0.765 | S | S | * | * | cis | -167.7 | 148.2 | -20.3 | -117.3 | -47.9 | 0 | 0 | 0 | 109.3 | ||||
| 837 | H | 27.7 | Very low | 24.8 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | 179.8 | 169.7 | 121.1 | -100.3 | -61.4 | 0 | 0 | 0 | 113.9 | |||||
| 838 | H | 23 | Very low | 24.8 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | trans | -102.6 | 161.6 | -172 | -78 | -98.2 | 0 | 0 | 0 | 113.3 | ||||
| 839 | Y | 27.1 | Very low | 24.8 | Very low | 238 Ų | 238 | 135.4 Ų | 135.4 | 93% | 0.933 | 77% | 0.77 | S | S | * | * | -150.9 | 177.8 | 113 | -109.6 | -73.3 | 0 | 0 | 0 | 110.9 | |||||
| 840 | Q | 22.5 | Very low | 24.8 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -149.6 | 167.3 | -158.3 | -174.3 | -178.6 | -18.8 | 0 | 0 | 111.4 | ||||
| 841 | L | 24.2 | Very low | 24.8 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | trans | 86.5 | 148.2 | 173.7 | -49.8 | 168.7 | 0 | 0 | 0 | 114.1 | ||||
| 842 | Q | 26 | Very low | 24.9 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | cis | -150.5 | 177.8 | 0.3 | -139.7 | 168.6 | -13 | 0 | 0 | 114 | ||||
| 843 | L | 22.1 | Very low | 24.9 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -34.1 | 142.4 | -177.4 | -86.4 | 67.8 | 0 | 0 | 0 | 119.2 | ||||
| 844 | G | 26.1 | Very low | 25 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -160.7 | 144.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 845 | S | 24.4 | Very low | 25.1 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -141.1 | 166.9 | -163.2 | -165.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 846 | V | 23.7 | Very low | 25.3 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | 70.8 | 108.8 | 170.2 | -158.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 847 | L | 26.7 | Very low | 25.5 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | -149.9 | 157.5 | 77.9 | -96 | 169.5 | 0 | 0 | 0 | 114.2 | |||||
| 848 | S | 23.2 | Very low | 25.5 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | trans | -109.7 | 145.2 | 171.8 | 173.8 | 0 | 0 | 0 | 0 | 109.9 | S850 | S848-S850 PolarHBondContact OG-N 3.23Å; S848-S850 PolarHBondContact OG-OG 3.08Å | ||
| 849 | V | 26.5 | Very low | 25.8 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -121.2 | 84.7 | 158.2 | -176.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 850 | S | 23.2 | Very low | 25.6 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | trans | -81.1 | 173.1 | 157.2 | -52.6 | 0 | 0 | 0 | 0 | 109.6 | S848 | S848-S850 PolarHBondContact OG-N 3.23Å; S848-S850 PolarHBondContact OG-OG 3.08Å | ||
| 851 | T | 24.9 | Very low | 25.9 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 78.2 | 103.7 | 172.7 | -46.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 852 | L | 26.7 | Very low | 26 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | -159.5 | 89.9 | 123.9 | -109.3 | 175.5 | 0 | 0 | 0 | 110.2 | |||||
| 853 | T | 25.1 | Very low | 26.3 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | -138 | 157.1 | 172.9 | 47.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 854 | S | 27.3 | Very low | 26.5 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 59.3 | 91.3 | 167.2 | 50.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 855 | T | 26.9 | Very low | 26.7 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | 45.1 | 120.1 | 121 | 56.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 856 | N | 28.3 | Very low | 27 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | 28.9 | 118.7 | 140.3 | -59.1 | 3 | 0 | 0 | 0 | 120.9 | ||||
| 857 | T | 29.1 | Very low | 27.3 | Very low | 155 Ų | 155 | 131 Ų | 131 | 95% | 0.951 | 75% | 0.745 | S | S | * | * | -166.7 | -175.2 | 112.7 | 15.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 858 | L | 28.2 | Very low | 27.5 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | -120.4 | 168.9 | -151.7 | -113.6 | 166.2 | 0 | 0 | 0 | 114.2 | ||||
| 859 | I | 29.1 | Very low | 27.9 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | trans | 93.8 | 100.5 | 157 | -67.2 | 150.9 | 0 | 0 | 0 | 119.9 | ||||
| 860 | D | 23.9 | Very low | 28.2 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | 72.9 | 146.9 | 127.3 | -66.9 | -40.2 | 0 | 0 | 0 | 128.8 | |||||
| 861 | H | 28.5 | Very low | 28.6 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | 77.1 | 69 | 148.2 | -69.2 | -44.5 | 0 | 0 | 0 | 124.5 | ||||
| 862 | T | 27 | Very low | 28.9 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | 51 | 144.8 | 105.1 | 61.8 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 863 | V | 30.7 | Very low | 29 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 98.9 | 130.3 | 139.9 | -80.3 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 864 | D | 27.6 | Very low | 29.1 | Very low | 124 Ų | 124 | 130 Ų | 130 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | trans | 87.9 | 139.4 | 133.1 | -76.2 | 7 | 0 | 0 | 0 | 124.2 | ||||
| 865 | L | 30.4 | Very low | 29.4 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 64% | 0.644 | 74% | 0.744 | S | S | * | * | cis | -169.5 | 174.9 | -18 | -158.6 | 170.2 | 0 | 0 | 0 | 112.6 | ||||
| 866 | N | 29.6 | Very low | 29.6 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | trans | 78.2 | 149.7 | 149.9 | -74.8 | -45.3 | 0 | 0 | 0 | 121.4 | ||||
| 867 | N | 30.1 | Very low | 29.8 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -172.9 | 174.1 | -27.3 | -147.7 | -35.7 | 0 | 0 | 0 | 112.4 | ||||
| 868 | I | 32.1 | Very low | 29.9 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | trans | 75.6 | 135.9 | 164 | -53.7 | 155.5 | 0 | 0 | 0 | 115.5 | ||||
| 869 | G | 31.9 | Very low | 30 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | cis | 139.1 | 156.4 | 0.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 870 | N | 31.4 | Very low | 30.1 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | cis | -168.9 | 179.6 | -9.1 | -163.7 | 31.7 | 0 | 0 | 0 | 110.3 | ||||
| 871 | N | 32.1 | Very low | 30.3 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | trans | 72.1 | 142.6 | 164.4 | -69.9 | -16.7 | 0 | 0 | 0 | 119.4 | ||||
| 872 | N | 30.3 | Very low | 30.5 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | cis | -163.4 | 167.8 | -12.6 | -135 | -14 | 0 | 0 | 0 | 114.8 | ||||
| 873 | S | 29.5 | Very low | 30.6 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 95.2 | 124.9 | 154.1 | 77.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 874 | N | 28.3 | Very low | 30.9 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | 88.2 | 120.5 | 149.4 | -62.6 | -1.9 | 0 | 0 | 0 | 122.6 | ||||
| 875 | N | 32.8 | Very low | 31.3 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | 75.2 | 150.8 | 162.5 | -63.4 | 5.6 | 0 | 0 | 0 | 118.4 | ||||
| 876 | E | 30.2 | Very low | 31.5 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -119.5 | 167 | -149.5 | -57.6 | 176.2 | 129.8 | 0 | 0 | 114.7 | ||||
| 877 | N | 32.3 | Very low | 31.8 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | 76.8 | 89.2 | 165.3 | -57.5 | -46.2 | 0 | 0 | 0 | 117 | ||||
| 878 | D | 32.3 | Very low | 32.2 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | trans | -62.4 | 152.6 | 173.3 | -78.3 | -63.1 | 0 | 0 | 0 | 115 | ||||
| 879 | K | 30.4 | Very low | 32.6 | Very low | 199 Ų | 199 | 124.5 Ų | 124.5 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | trans | -107.3 | 95.7 | 161.2 | -69.6 | 179.9 | 179.5 | 178 | 0 | 109.4 | ||||
| 880 | S | 31.6 | Very low | 33.3 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 129.4 | 172.6 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | I882 | S880-I882 PolarHBondContact O-N 3.18Š|
| 881 | L | 27.8 | Very low | 33.9 | Very low | 171 Ų | 171 | 124.2 Ų | 124.2 | 90% | 0.895 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 121.1 | 176.6 | -72.9 | 146.1 | 0 | 0 | 0 | 110.9 | ||
| 882 | I | 32.3 | Very low | 34.5 | Very low | 154 Ų | 154 | 121.1 Ų | 121.1 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 119.8 | 168.3 | -62.6 | 175.8 | 0 | 0 | 0 | 107.9 | S880 | S880-I882 PolarHBondContact O-N 3.18Š|
| 883 | L | 28.7 | Very low | 35.4 | Very low | 146 Ų | 146 | 117.4 Ų | 117.4 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 135.3 | 164.4 | -108.7 | 71.3 | 0 | 0 | 0 | 108.8 | T885 | L883-T885 PolarHBondContact O-N 3.44Š|
| 884 | P | 36.3 | Very low | 36.2 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 135.6 | 174.3 | 27.3 | -33.8 | 0 | 0 | 0 | 110.1 | D888 | P884-D888 WeakPolarHBondContact CA-OD2 3.42Å; P884-D888 HydrophobicContact CB-CB 4.16Å |
| 885 | T | 36.2 | Very low | 37.1 | Very low | 100 Ų | 100 | 111.9 Ų | 111.9 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 156.6 | 173.4 | -53.5 | 0 | 0 | 0 | 0 | 108.9 | L883 G887 D888 | L883-T885 PolarHBondContact O-N 3.44Å; T885-G887 PolarHBondContact O-N 3.37Å; T885-D888 PolarHBondContact N-OD2 3.31Å; T885-D888 PolarHBondContact O-N 3.42Å |
| 886 | A | 35 | Very low | 38 | Very low | 86 Ų | 86 | 106.6 Ų | 106.6 | 71% | 0.711 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -58.2 | -17.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V890 | A886-V890 WeakPolarHBondContact O-CG2 3.39Å |
| 887 | G | 36.7 | Very low | 39 | Very low | 44 Ų | 44 | 100.1 Ų | 100.1 | 45% | 0.454 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.1 | -45.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T885 A889 V890 E891 | T885-G887 PolarHBondContact O-N 3.37Å; G887-A889 VanDerWaalsContact C-N 3.31Å; G887-A889 PolarHBondContact O-N 3.07Å; G887-V890 CarbonylContact O-C 3.47Å; G887-V890 WeakPolarHBondContact O-CA 3.35Å; G887-V890 WeakPolarHBondContact O-CB 3.34Å; G887-V890 PolarHBondContact O-N 2.85Å; G887-E891 PolarHBondContact O-N 2.94Å |
| 888 | D | 38.5 | Very low | 39.7 | Very low | 68 Ų | 68 | 96.6 Ų | 96.6 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.9 | -39.7 | -173.5 | -48.9 | -36.4 | 0 | 0 | 0 | 111.6 | P884 T885 V890 E891 A892 | P884-D888 WeakPolarHBondContact CA-OD2 3.42Å; P884-D888 HydrophobicContact CB-CB 4.16Å; T885-D888 PolarHBondContact N-OD2 3.31Å; T885-D888 PolarHBondContact O-N 3.42Å; D888-V890 VanDerWaalsContact C-N 3.33Å; D888-V890 PolarHBondContact O-N 3.2Å; D888-E891 PolarHBondContact O-N 3.32Å; D888-A892 WeakPolarHBondContact O-CB 3.42Å; D888-A892 PolarHBondContact O-N 2.89Å |
| 889 | A | 40.5 | Very low | 40.6 | Very low | 61 Ų | 61 | 96 Ų | 96 | 50% | 0.504 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.5 | -32.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G887 S893 | G887-A889 VanDerWaalsContact C-N 3.31Å; G887-A889 PolarHBondContact O-N 3.07Å; A889-S893 WeakPolarHBondContact O-CB 3.34Å; A889-S893 PolarHBondContact O-N 3.4Å; A889-S893 VanDerWaalsContact O-N 3.08Å |
| 890 | V | 45.7 | Very low | 41.5 | Very low | 86 Ų | 86 | 90.8 Ų | 90.8 | 52% | 0.521 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.8 | -38.9 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | A886 G887 D888 S893 N894 | A886-V890 WeakPolarHBondContact O-CG2 3.39Å; G887-V890 CarbonylContact O-C 3.47Å; G887-V890 WeakPolarHBondContact O-CA 3.35Å; G887-V890 WeakPolarHBondContact O-CB 3.34Å; G887-V890 PolarHBondContact O-N 2.85Å; D888-V890 VanDerWaalsContact C-N 3.33Å; D888-V890 PolarHBondContact O-N 3.2Å; V890-S893 PolarHBondContact O-N 3.47Å; V890-N894 WeakPolarHBondContact CG1-ND2 3.36Å; V890-N894 PolarHBondContact O-N 3.33Å; V890-N894 PolarHBondContact O-ND2 2.76Å |
| 891 | E | 43.6 | Very low | 42.3 | Very low | 124 Ų | 124 | 86.4 Ų | 86.4 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.6 | -46.5 | 176.4 | -172.3 | 151 | -155.6 | 0 | 0 | 111.9 | G887 D888 S893 N894 N895 | G887-E891 PolarHBondContact O-N 2.94Å; D888-E891 PolarHBondContact O-N 3.32Å; E891-S893 VanDerWaalsContact C-N 3.3Å; E891-S893 PolarHBondContact O-N 3.49Å; E891-N894 PolarHBondContact O-N 3.16Å; E891-N894 VanDerWaalsContact O-N 3.11Å; E891-N895 PolarHBondContact O-N 3.44Å |
| 892 | A | 46 | Very low | 43.3 | Very low | 60 Ų | 60 | 82.8 Ų | 82.8 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.3 | -41.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D888 N895 A896 | D888-A892 WeakPolarHBondContact O-CB 3.42Å; D888-A892 PolarHBondContact O-N 2.89Å; A892-N895 PolarHBondContact O-N 3.36Å; A892-A896 WeakPolarHBondContact O-CB 3.45Å; A892-A896 PolarHBondContact O-N 2.94Å |
| 893 | S | 48 | Very low | 44.3 | Very low | 64 Ų | 64 | 79.2 Ų | 79.2 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -32.4 | 176.4 | -171.9 | 0 | 0 | 0 | 0 | 113.2 | A889 V890 E891 L897 | A889-S893 WeakPolarHBondContact O-CB 3.34Å; A889-S893 PolarHBondContact O-N 3.4Å; A889-S893 VanDerWaalsContact O-N 3.08Å; V890-S893 PolarHBondContact O-N 3.47Å; E891-S893 VanDerWaalsContact C-N 3.3Å; E891-S893 PolarHBondContact O-N 3.49Å; S893-L897 VanDerWaalsContact O-CB 3.28Å; S893-L897 WeakPolarHBondContact O-CB 3.49Å; S893-L897 PolarHBondContact O-N 3.22Å; S893-L897 VanDerWaalsContact O-N 3.15Å |
| 894 | N | 46.1 | Very low | 45.6 | Very low | 44 Ų | 44 | 82.8 Ų | 82.8 | 24% | 0.235 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -69.7 | -40.9 | 171.4 | -77.5 | -69.4 | 0 | 0 | 0 | 111.5 | V890 E891 L897 L898 | V890-N894 WeakPolarHBondContact CG1-ND2 3.36Å; V890-N894 PolarHBondContact O-N 3.33Å; V890-N894 PolarHBondContact O-ND2 2.76Å; E891-N894 PolarHBondContact O-N 3.16Å; E891-N894 VanDerWaalsContact O-N 3.11Å; N894-L897 WeakPolarHBondContact O-CB 3.41Å; N894-L897 PolarHBondContact O-N 3.26Å; N894-L898 WeakPolarHBondContact O-CG 3.46Å; N894-L898 PolarHBondContact O-N 3.37Å |
| 895 | N | 48.8 | Very low | 46.9 | Very low | 84 Ų | 84 | 79.7 Ų | 79.7 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68 | -42.1 | -179.9 | -67.7 | -17.8 | 0 | 0 | 0 | 111.8 | E891 A892 L897 L898 E899 | E891-N895 PolarHBondContact O-N 3.44Å; A892-N895 PolarHBondContact O-N 3.36Å; N895-L897 VanDerWaalsContact C-N 3.25Å; N895-L897 PolarHBondContact O-N 2.68Å; N895-L898 WeakPolarHBondContact O-CB 3.39Å; N895-L898 PolarHBondContact O-N 3.07Å; N895-L898 VanDerWaalsContact O-N 3.12Å; N895-E899 PolarHBondContact O-N 3.42Å |
| 896 | A | 51.9 | Low | 48.5 | Very low | 51 Ų | 51 | 80.7 Ų | 80.7 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.5 | -31.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A892 V900 | A892-A896 WeakPolarHBondContact O-CB 3.45Å; A892-A896 PolarHBondContact O-N 2.94Å; A896-V900 WeakPolarHBondContact O-CG2 3.42Å; A896-V900 PolarHBondContact O-N 3.12Å |
| 897 | L | 49.5 | Very low | 50.5 | Low | 40 Ų | 40 | 80.2 Ų | 80.2 | 21% | 0.209 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -72.6 | -31.2 | 174.4 | -168.2 | 151.8 | 0 | 0 | 0 | 111.9 | L359 I804 S893 N894 N895 I901 | L359-L897 HydrophobicContact CD1-CD2 4.44Å; I804-L897 HydrophobicContact CD1-CD1 3.77Å; I804-L897 HydrophobicContact CD1-CG 4.07Å; S893-L897 VanDerWaalsContact O-CB 3.28Å; S893-L897 WeakPolarHBondContact O-CB 3.49Å; S893-L897 PolarHBondContact O-N 3.22Å; S893-L897 VanDerWaalsContact O-N 3.15Å; N894-L897 WeakPolarHBondContact O-CB 3.41Å; N894-L897 PolarHBondContact O-N 3.26Å; N895-L897 VanDerWaalsContact C-N 3.25Å; N895-L897 PolarHBondContact O-N 2.68Å; L897-I901 HydrophobicContact CD2-CD1 3.71Å; L897-I901 WeakPolarHBondContact O-CG1 3.35Å; L897-I901 PolarHBondContact O-N 3.17Å |
| 898 | L | 48.1 | Very low | 52.7 | Low | 76 Ų | 76 | 82.2 Ų | 82.2 | 40% | 0.398 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 172.8 | -71.4 | 167.6 | 0 | 0 | 0 | 112.5 | N894 N895 V900 I901 S902 | N894-L898 WeakPolarHBondContact O-CG 3.46Å; N894-L898 PolarHBondContact O-N 3.37Å; N895-L898 WeakPolarHBondContact O-CB 3.39Å; N895-L898 PolarHBondContact O-N 3.07Å; N895-L898 VanDerWaalsContact O-N 3.12Å; L898-V900 VanDerWaalsContact C-N 3.28Å; L898-V900 PolarHBondContact O-N 2.85Å; L898-I901 WeakPolarHBondContact O-CA 3.35Å; L898-I901 WeakPolarHBondContact O-CB 3.28Å; L898-I901 PolarHBondContact O-N 3.38Å; L898-S902 PolarHBondContact O-N 3.38Å |
| 899 | E | 49.8 | Very low | 55 | Low | 152 Ų | 152 | 79 Ų | 79 | 71% | 0.71 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.1 | -38.1 | 171.9 | -72 | -168.3 | 139.5 | 0 | 0 | 112.1 | N895 I901 S902 | N895-E899 PolarHBondContact O-N 3.42Å; E899-I901 PolarHBondContact O-N 3.03Å; E899-S902 PolarHBondContact O-N 3.31Å; E899-S902 PolarHBondContact O-OG 3.35Å |
| 900 | V | 50.8 | Low | 57.3 | Low | 90 Ų | 90 | 76.3 Ų | 76.3 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.6 | -21.9 | 174.5 | 170.7 | 0 | 0 | 0 | 0 | 112.5 | A896 L898 | A896-V900 WeakPolarHBondContact O-CG2 3.42Å; A896-V900 PolarHBondContact O-N 3.12Å; L898-V900 VanDerWaalsContact C-N 3.28Å; L898-V900 PolarHBondContact O-N 2.85Å |
| 901 | I | 49 | Very low | 59.4 | Low | 16 Ų | 16 | 72.2 Ų | 72.2 | 8% | 0.082 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -82.9 | -25.7 | 175.2 | -71.3 | 168.4 | 0 | 0 | 0 | 112 | L359 P364 W796 L897 L898 E899 S903 | L359-I901 HydrophobicContact CD1-CD1 3.7Å; P364-I901 HydrophobicContact CB-CG2 3.97Å; W796-I901 WeakPolarHBondContact CZ3-O 3.5Å; L897-I901 HydrophobicContact CD2-CD1 3.71Å; L897-I901 WeakPolarHBondContact O-CG1 3.35Å; L897-I901 PolarHBondContact O-N 3.17Å; L898-I901 WeakPolarHBondContact O-CA 3.35Å; L898-I901 WeakPolarHBondContact O-CB 3.28Å; L898-I901 PolarHBondContact O-N 3.38Å; E899-I901 PolarHBondContact O-N 3.03Å; I901-S903 PolarHBondContact O-N 3.15Å |
| 902 | S | 47.8 | Very low | 61.6 | Low | 94 Ų | 94 | 66.5 Ų | 66.5 | 66% | 0.657 | 36% | 0.359 | S | S | * | . | trans | -73.6 | 16 | -174.6 | 82.8 | 0 | 0 | 0 | 0 | 115.4 | L898 E899 | L898-S902 PolarHBondContact O-N 3.38Å; E899-S902 PolarHBondContact O-N 3.31Å; E899-S902 PolarHBondContact O-OG 3.35Å | ||
| 903 | S | 52.4 | Low | 63.6 | Low | 79 Ų | 79 | 64 Ų | 64 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -88.9 | 137.5 | 174 | 70.3 | 0 | 0 | 0 | 0 | 111.4 | W796 I901 | W796-S903 WeakPolarHBondContact CZ3-O 3.43Å; I901-S903 PolarHBondContact O-N 3.15Å |
| 904 | Y | 56.5 | Low | 65.4 | Low | 222 Ų | 222 | 68.6 Ų | 68.6 | 87% | 0.871 | 35% | 0.346 | S | S | * | . | trans | -38.4 | 140.4 | -174.6 | -67.2 | -82.8 | 0 | 0 | 0 | 116.3 | K906 | Y904-K906 PolarHBondContact O-N 3.24Š| ||
| 905 | P | 63.7 | Low | 67.2 | Low | 33 Ų | 33 | 69.4 Ų | 69.4 | 21% | 0.214 | 35% | 0.35 | C | S | . | . | trans | -56.9 | 130 | -178.3 | 23.3 | -35.1 | 0 | 0 | 0 | 111.9 | E794 W796 Q907 | E794-P905 HydrophobicContact CB-CB 4.02Å; E794-P905 HydrophobicContact CG-CB 4.35Å; E794-P905 HydrophobicContact CG-CG 4.39Å; W796-P905 HydrophobicContact CD2-CB 4.3Å; W796-P905 HydrophobicContact CH2-CB 4.15Å; W796-P905 HydrophobicContact CZ2-CB 3.69Å; W796-P905 HydrophobicContact CZ2-CG 4.2Å; P905-Q907 PolarHBondContact O-N 2.99Å; P905-Q907 VanDerWaalsContact O-N 3.14Å | ||
| 906 | K | 69.5 | Low | 68.8 | Low | 121 Ų | 121 | 71 Ų | 71 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -58 | -34.8 | -172.2 | -177.9 | 172.8 | 178.8 | 175.2 | 0 | 113.2 | C795 E797 Y904 | C795-K906 PolarHBondContact O-N 2.78Å; E797-K906 HydrophobicContact CB-CD 3.92Å; E797-K906 IonicContact OE1-NZ 3.99Å; E797-K906 WeakPolarHBondContact OE2-CD 3.36Å; E797-K906 WeakPolarHBondContact OE2-CE 3.47Å; E797-K906 IonicContact OE2-NZ 3.23Å; E797-K906 PolarHBondContact OE2-NZ 3.27Å; Y904-K906 PolarHBondContact O-N 3.24Å |
| 907 | Q | 77.2 | Confident | 70.3 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 127.5 | 167 | -60.9 | -174.2 | 31 | 0 | 0 | 110.6 | C795 P905 F909 | C795-Q907 PolarHBondContact N-O 2.97Å; C795-Q907 PolarHBondContact O-N 2.91Å; P905-Q907 PolarHBondContact O-N 2.99Å; P905-Q907 VanDerWaalsContact O-N 3.14Å; Q907-F909 HydrophobicContact CB-CD2 4.18Å; Q907-F909 HydrophobicContact CB-CE2 3.54Å; Q907-F909 HydrophobicContact CB-CZ 4.2Å; Q907-F909 VanDerWaalsContact OE1-CZ 3.22Å |
| 908 | R | 82.5 | Confident | 72.1 | Confident | 86 Ų | 86 | 71.9 Ų | 71.9 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 145.6 | 165.7 | -173.6 | 170.8 | -176.2 | 138.8 | -10.7 | 110.4 | D792 E794 | D792-R908 HydrophobicContact CB-CG 4.32Å; D792-R908 VanDerWaalsContact CG-NE 3.26Å; D792-R908 IonicContact OD1-NE 3.34Å; D792-R908 IonicContact OD2-CZ 3.58Å; D792-R908 IonicContact OD2-NE 2.67Å; D792-R908 PolarHBondContact OD2-NE 2.88Å; D792-R908 IonicContact OD2-NH2 3.48Å; D792-R908 PolarHBondContact OD2-NH2 3.04Å; E794-R908 HydrophobicContact CG-CB 4.37Å; E794-R908 HydrophobicContact CG-CG 4.03Å; E794-R908 WeakPolarHBondContact OE1-CD 3.38Å; E794-R908 IonicContact OE1-CZ 3.66Å; E794-R908 IonicContact OE1-NE 2.65Å; E794-R908 IonicContact OE1-NH1 2.76Å; E794-R908 PolarHBondContact OE1-NH1 2.89Å |
| 909 | F | 87.4 | Confident | 74 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 109.6 | -177.8 | -68.5 | -96.3 | 0 | 0 | 0 | 111.3 | V712 I714 L735 K765 I767 D792 L793 Q907 F911 | V712-F909 HydrophobicContact CG1-CD1 3.94Å; I714-F909 HydrophobicContact CG1-CD1 4.17Å; I714-F909 HydrophobicContact CG1-CE1 4.42Å; L735-F909 HydrophobicContact CD1-CD1 4.34Å; L735-F909 HydrophobicContact CD1-CE1 4.09Å; K765-F909 HydrophobicContact CD-CE1 3.39Å; K765-F909 HydrophobicContact CD-CZ 3.67Å; K765-F909 VanDerWaalsContact NZ-CZ 3.27Å; I767-F909 HydrophobicContact CD1-CD1 4.06Å; I767-F909 HydrophobicContact CD1-CD2 4.14Å; I767-F909 HydrophobicContact CD1-CE1 3.61Å; I767-F909 HydrophobicContact CD1-CE2 3.72Å; I767-F909 HydrophobicContact CD1-CG 4.28Å; I767-F909 HydrophobicContact CD1-CZ 3.43Å; I767-F909 VanDerWaalsContact CD1-CZ 3.43Å; I767-F909 HydrophobicContact CG1-CE1 4.19Å; I767-F909 HydrophobicContact CG1-CE2 3.97Å; I767-F909 HydrophobicContact CG1-CZ 3.6Å; D792-F909 WeakPolarHBondContact CA-O 3.33Å; L793-F909 HydrophobicContact CB-CB 4.37Å; L793-F909 PolarHBondContact N-O 2.77Å; L793-F909 PolarHBondContact O-N 2.73Å; Q907-F909 HydrophobicContact CB-CD2 4.18Å; Q907-F909 HydrophobicContact CB-CE2 3.54Å; Q907-F909 HydrophobicContact CB-CZ 4.2Å; Q907-F909 VanDerWaalsContact OE1-CZ 3.22Å; F909-F911 HydrophobicContact CB-CD2 4.26Å; F909-F911 HydrophobicContact CB-CE2 3.68Å; F909-F911 HydrophobicContact CB-CZ 4.48Å; F909-F911 WeakPolarHBondContact O-CD2 3.18Å; F909-F911 PolarHBondContact O-N 2.96Å |
| 910 | T | 88.4 | Confident | 75.8 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 119.4 | 169.8 | -31.6 | 0 | 0 | 0 | 0 | 110.2 | V712 R713 L790 F791 D792 I912 | V712-T910 WeakPolarHBondContact CA-O 3.49Å; R713-T910 PolarHBondContact N-O 2.95Å; R713-T910 PolarHBondContact O-N 3.05Å; L790-T910 HydrophobicContact CB-CG2 4.23Å; L790-T910 HydrophobicContact CD2-CG2 3.7Å; L790-T910 HydrophobicContact CG-CG2 4.48Å; F791-T910 WeakPolarHBondContact O-CA 3.45Å; D792-T910 WeakPolarHBondContact OD1-CA 3.15Å; D792-T910 WeakPolarHBondContact OD1-CB 3.48Å; D792-T910 VanDerWaalsContact OD1-CG2 3.31Å; D792-T910 WeakPolarHBondContact OD1-CG2 3.42Å; D792-T910 PolarHBondContact OD1-N 3.35Å; D792-T910 PolarHBondContact OD1-OG1 3.4Å; T910-I912 HydrophobicContact CG2-CG1 4.46Å |
| 911 | F | 90.5 | Very high | 77.5 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132 | 169.2 | -70.2 | -98.2 | 0 | 0 | 0 | 109.1 | V710 V712 L733 L735 L790 F791 L793 F909 F913 | V710-F911 HydrophobicContact CB-CD1 4.15Å; V710-F911 HydrophobicContact CG1-CD1 4.3Å; V710-F911 HydrophobicContact CG2-CD1 4.28Å; V710-F911 HydrophobicContact CG2-CE1 4.25Å; V712-F911 HydrophobicContact CG2-CD1 3.93Å; V712-F911 HydrophobicContact CG2-CE1 3.83Å; V712-F911 HydrophobicContact CG2-CZ 4.48Å; L733-F911 HydrophobicContact CD2-CE1 4.3Å; L733-F911 HydrophobicContact CD2-CZ 3.75Å; L735-F911 HydrophobicContact CD2-CE1 4.08Å; L735-F911 HydrophobicContact CD2-CZ 4.4Å; L790-F911 WeakPolarHBondContact CA-O 3.48Å; F791-F911 HydrophobicContact CD1-CB 4.17Å; F791-F911 HydrophobicContact CD2-CD2 4.39Å; F791-F911 HydrophobicContact CE1-CB 3.86Å; F791-F911 HydrophobicContact CE1-CG 4.37Å; F791-F911 HydrophobicContact CE2-CB 4.21Å; F791-F911 AromaticContact CE2-CD2 3.74Å; F791-F911 HydrophobicContact CE2-CD2 3.74Å; F791-F911 HydrophobicContact CE2-CE2 4.45Å; F791-F911 HydrophobicContact CE2-CG 4.13Å; F791-F911 HydrophobicContact CZ-CB 3.87Å; F791-F911 AromaticContact CZ-CD2 3.97Å; F791-F911 HydrophobicContact CZ-CD2 3.97Å; F791-F911 AromaticContact CZ-CG 3.89Å; F791-F911 HydrophobicContact CZ-CG 3.89Å; F791-F911 PolarHBondContact N-O 2.72Å; F791-F911 PolarHBondContact O-N 2.9Å; L793-F911 HydrophobicContact CB-CD2 4.28Å; L793-F911 HydrophobicContact CB-CE2 3.89Å; L793-F911 HydrophobicContact CD2-CE2 4.06Å; F909-F911 HydrophobicContact CB-CD2 4.26Å; F909-F911 HydrophobicContact CB-CE2 3.68Å; F909-F911 HydrophobicContact CB-CZ 4.48Å; F909-F911 WeakPolarHBondContact O-CD2 3.18Å; F909-F911 PolarHBondContact O-N 2.96Å; F911-F913 HydrophobicContact CB-CE2 3.74Å; F911-F913 HydrophobicContact CB-CZ 4.27Å |
| 912 | I | 88.9 | Confident | 79.4 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.1 | -173.6 | -49.2 | 179.7 | 0 | 0 | 0 | 109 | Q711 R713 K721 L788 L790 T910 | Q711-I912 HydrophobicContact CB-CB 4.05Å; Q711-I912 PolarHBondContact N-O 3.19Å; Q711-I912 PolarHBondContact O-N 2.87Å; R713-I912 HydrophobicContact CB-CD1 4.47Å; K721-I912 HydrophobicContact CG-CD1 4.38Å; L788-I912 HydrophobicContact CB-CG2 4.14Å; L788-I912 HydrophobicContact CD1-CG2 4.01Å; L788-I912 HydrophobicContact CD2-CG2 4.2Å; L788-I912 HydrophobicContact CG-CG2 4.35Å; L790-I912 HydrophobicContact CD2-CD1 4.28Å; L790-I912 HydrophobicContact CD2-CG1 3.88Å; L790-I912 HydrophobicContact CG-CG1 4.24Å; L790-I912 HydrophobicContact CG-CG2 4.32Å; T910-I912 HydrophobicContact CG2-CG1 4.46Å |
| 913 | F | 88.5 | Confident | 81.5 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.9 | 179.6 | -58.5 | -92.2 | 0 | 0 | 0 | 110.9 | V710 F789 F791 F911 D918 K919 W922 | V710-F913 HydrophobicContact CG1-CE1 3.83Å; V710-F913 HydrophobicContact CG1-CZ 3.97Å; F789-F913 HydrophobicContact CB-CB 4.43Å; F789-F913 PolarHBondContact N-O 3.34Å; F789-F913 PolarHBondContact O-N 3.44Å; F791-F913 AromaticContact CD1-CE2 3.9Å; F791-F913 HydrophobicContact CD1-CE2 3.9Å; F791-F913 AromaticContact CE1-CE2 3.54Å; F791-F913 HydrophobicContact CE1-CE2 3.54Å; F791-F913 HydrophobicContact CE1-CZ 4.01Å; F911-F913 HydrophobicContact CB-CE2 3.74Å; F911-F913 HydrophobicContact CB-CZ 4.27Å; F913-D918 HydrophobicContact CB-CB 4.47Å; F913-D918 HydrophobicContact CD1-CB 3.65Å; F913-D918 HydrophobicContact CE1-CB 4.3Å; F913-D918 HydrophobicContact CG-CB 4.33Å; F913-K919 HydrophobicContact CB-CB 4.44Å; F913-K919 HydrophobicContact CD2-CB 3.97Å; F913-K919 HydrophobicContact CG-CB 4.27Å; F913-W922 AromaticContact CE1-CD1 3.37Å; F913-W922 AromaticContact CE1-CG 4Å; F913-W922 HydrophobicContact CE1-CG 4Å; F913-W922 AromaticContact CE1-NE1 3.86Å; F913-W922 HydrophobicContact CZ-CB 3.93Å; F913-W922 AromaticContact CZ-CD1 3.57Å; F913-W922 HydrophobicContact CZ-CD2 4.5Å; F913-W922 AromaticContact CZ-CG 3.71Å; F913-W922 HydrophobicContact CZ-CG 3.71Å |
| 914 | Y | 85.4 | Confident | 83.2 | Confident | 161 Ų | 161 | 50.6 Ų | 50.6 | 63% | 0.631 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -88.6 | -12 | 170.9 | -64.9 | -75 | 0 | 0 | 0 | 112.8 | Q711 L788 | Q711-Y914 PolarHBondContact NE2-OH 2.75Å; L788-Y914 HydrophobicContact CD2-CD1 3.64Å; L788-Y914 HydrophobicContact CD2-CE1 3.64Å |
| 915 | N | 84.3 | Confident | 84.7 | Confident | 62 Ų | 62 | 40 Ų | 40 | 33% | 0.332 | 19% | 0.185 | S | C | . | . | trans | -126.2 | 139.8 | -173.9 | -173 | 29.6 | 0 | 0 | 0 | 110.4 | E917 D918 K919 | N915-E917 PolarHBondContact OD1-OE2 3.39Å; N915-D918 HydrophobicContact CB-CB 4.16Å; N915-D918 PolarHBondContact ND2-OD1 2.93Å; N915-K919 PolarHBondContact O-N 3.33Å | ||
| 916 | K | 83.3 | Confident | 85.9 | Confident | 118 Ų | 118 | 38.5 Ų | 38.5 | 51% | 0.513 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -76.1 | -36.4 | -177.5 | 67.9 | -179.3 | -174.3 | 178.2 | 0 | 111.7 | F789 D918 K919 A920 | F789-K916 HydrophobicContact CD1-CB 4.02Å; F789-K916 HydrophobicContact CD2-CB 4.18Å; F789-K916 HydrophobicContact CE1-CB 3.89Å; F789-K916 HydrophobicContact CE2-CB 4.05Å; F789-K916 HydrophobicContact CG-CB 4.17Å; F789-K916 HydrophobicContact CZ-CB 3.9Å; K916-D918 VanDerWaalsContact C-N 3.33Å; K916-D918 PolarHBondContact O-N 2.92Å; K916-K919 PolarHBondContact O-N 2.96Å; K916-A920 PolarHBondContact O-N 3.44Å |
| 917 | E | 83.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 32.9 Ų | 32.9 | 19% | 0.192 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 174.8 | -76.9 | 71.5 | -164.3 | 0 | 0 | 111.7 | R318 N915 A920 N921 | R318-E917 IonicContact NH1-OE1 2.72Å; R318-E917 PolarHBondContact NH1-OE1 3.01Å; N915-E917 PolarHBondContact OD1-OE2 3.39Å; E917-A920 PolarHBondContact O-N 3.46Å; E917-N921 VanDerWaalsContact O-CG 3.3Å; E917-N921 PolarHBondContact O-N 2.89Å; E917-N921 PolarHBondContact O-ND2 3.11Å |
| 918 | D | 85.8 | Confident | 87.2 | Confident | 68 Ų | 68 | 30 Ų | 30 | 36% | 0.364 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.5 | -46 | 176.5 | -62.1 | -0 | 0 | 0 | 0 | 111 | F913 N915 K916 A920 N921 W922 | F913-D918 HydrophobicContact CB-CB 4.47Å; F913-D918 HydrophobicContact CD1-CB 3.65Å; F913-D918 HydrophobicContact CE1-CB 4.3Å; F913-D918 HydrophobicContact CG-CB 4.33Å; N915-D918 HydrophobicContact CB-CB 4.16Å; N915-D918 PolarHBondContact ND2-OD1 2.93Å; K916-D918 VanDerWaalsContact C-N 3.33Å; K916-D918 PolarHBondContact O-N 2.92Å; D918-A920 VanDerWaalsContact C-N 3.31Å; D918-A920 PolarHBondContact O-N 2.96Å; D918-N921 PolarHBondContact O-N 3.1Å; D918-W922 PolarHBondContact O-N 3.28Å; D918-W922 VanDerWaalsContact O-N 3.1Å |
| 919 | K | 89.4 | Confident | 87.2 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 2% | 0.022 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.6 | -47.6 | 172.2 | 168.9 | 176.7 | 169.6 | 173.7 | 0 | 110.6 | D776 A778 F789 L790 F791 F913 N915 K916 N921 W922 I923 | D776-K919 WeakPolarHBondContact OD1-CE 3.4Å; D776-K919 IonicContact OD1-NZ 3Å; D776-K919 PolarHBondContact OD1-NZ 3.47Å; A778-K919 PolarHBondContact O-NZ 2.88Å; F789-K919 HydrophobicContact CB-CB 4.09Å; F789-K919 HydrophobicContact CB-CD 3.79Å; L790-K919 VanDerWaalsContact O-CE 3.3Å; L790-K919 WeakPolarHBondContact O-CE 3.45Å; L790-K919 PolarHBondContact O-NZ 2.95Å; F791-K919 HydrophobicContact CD1-CG 4.4Å; F913-K919 HydrophobicContact CB-CB 4.44Å; F913-K919 HydrophobicContact CD2-CB 3.97Å; F913-K919 HydrophobicContact CG-CB 4.27Å; N915-K919 PolarHBondContact O-N 3.33Å; K916-K919 PolarHBondContact O-N 2.96Å; K919-N921 PolarHBondContact O-N 2.89Å; K919-W922 PolarHBondContact O-N 2.82Å; K919-I923 HydrophobicContact CD-CD1 4.17Å; K919-I923 VanDerWaalsContact CE-CD1 3.45Å; K919-I923 HydrophobicContact CG-CD1 3.61Å; K919-I923 HydrophobicContact CG-CG1 4.36Å; K919-I923 WeakPolarHBondContact O-CG1 3.36Å; K919-I923 PolarHBondContact O-N 3.35Å |
| 920 | A | 87.9 | Confident | 87.1 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y593 K916 E917 D918 I923 S924 | Y593-A920 HydrophobicContact CD1-CB 3.75Å; Y593-A920 HydrophobicContact CE1-CB 4.26Å; K916-A920 PolarHBondContact O-N 3.44Å; E917-A920 PolarHBondContact O-N 3.46Å; D918-A920 VanDerWaalsContact C-N 3.31Å; D918-A920 PolarHBondContact O-N 2.96Å; A920-I923 PolarHBondContact O-N 2.94Å; A920-S924 WeakPolarHBondContact O-CB 3.47Å; A920-S924 PolarHBondContact O-N 2.88Å; A920-S924 PolarHBondContact O-OG 2.87Å |
| 921 | N | 85.6 | Confident | 86.9 | Confident | 16 Ų | 16 | 27 Ų | 27 | 9% | 0.086 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 178 | -73.3 | -27.8 | 0 | 0 | 0 | 113.2 | Q597 E917 D918 K919 S924 A925 | Q597-N921 PolarHBondContact NE2-OD1 3.39Å; E917-N921 VanDerWaalsContact O-CG 3.3Å; E917-N921 PolarHBondContact O-N 2.89Å; E917-N921 PolarHBondContact O-ND2 3.11Å; D918-N921 PolarHBondContact O-N 3.1Å; K919-N921 PolarHBondContact O-N 2.89Å; N921-S924 PolarHBondContact O-OG 2.91Å; N921-S924 VanDerWaalsContact O-OG 3.11Å; N921-A925 WeakPolarHBondContact O-CB 3.4Å; N921-A925 PolarHBondContact O-N 2.79Å |
| 922 | W | 89.7 | Confident | 86.4 | Confident | 16 Ų | 16 | 28 Ų | 28 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.8 | -39.2 | 176.5 | -82.8 | 91.7 | 0 | 0 | 0 | 112.3 | M706 V710 A726 L728 L733 F791 F913 D918 K919 L926 | M706-W922 HydrophobicContact CG-CH2 4.23Å; M706-W922 HydrophobicContact CG-CZ2 4.43Å; M706-W922 HydrophobicContact CG-CZ3 4.47Å; M706-W922 HydrophobicContact SD-CD2 3.83Å; M706-W922 HydrophobicContact SD-CE3 4.01Å; M706-W922 HydrophobicContact SD-CG 4.33Å; M706-W922 HydrophobicContact SD-CH2 4.17Å; M706-W922 HydrophobicContact SD-CZ2 4.02Å; M706-W922 HydrophobicContact SD-CZ3 4.19Å; V710-W922 HydrophobicContact CG1-CZ2 4.32Å; A726-W922 HydrophobicContact CB-CH2 3.35Å; A726-W922 HydrophobicContact CB-CZ2 3.83Å; A726-W922 HydrophobicContact CB-CZ3 3.99Å; L728-W922 HydrophobicContact CB-CH2 4.14Å; L728-W922 HydrophobicContact CB-CZ3 3.87Å; L728-W922 HydrophobicContact CD1-CZ3 4.41Å; L728-W922 HydrophobicContact CD2-CZ3 4.25Å; L728-W922 HydrophobicContact CG-CZ3 4.4Å; L733-W922 HydrophobicContact CD1-CH2 4.42Å; L733-W922 HydrophobicContact CD1-CZ3 3.94Å; F791-W922 HydrophobicContact CE1-CB 3.9Å; F791-W922 HydrophobicContact CZ-CB 4.24Å; F913-W922 AromaticContact CE1-CD1 3.37Å; F913-W922 AromaticContact CE1-CG 4Å; F913-W922 HydrophobicContact CE1-CG 4Å; F913-W922 AromaticContact CE1-NE1 3.86Å; F913-W922 HydrophobicContact CZ-CB 3.93Å; F913-W922 AromaticContact CZ-CD1 3.57Å; F913-W922 HydrophobicContact CZ-CD2 4.5Å; F913-W922 AromaticContact CZ-CG 3.71Å; F913-W922 HydrophobicContact CZ-CG 3.71Å; D918-W922 PolarHBondContact O-N 3.28Å; D918-W922 VanDerWaalsContact O-N 3.1Å; K919-W922 PolarHBondContact O-N 2.82Å; W922-L926 WeakPolarHBondContact O-CD1 3.4Å; W922-L926 VanDerWaalsContact O-CG 3.29Å; W922-L926 WeakPolarHBondContact O-CG 3.24Å; W922-L926 PolarHBondContact O-N 2.88Å |
| 923 | I | 90.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.6 | -46.5 | 176.9 | -66.8 | 173.9 | 0 | 0 | 0 | 110.9 | I589 Y593 F791 K919 A920 A925 L926 V927 | I589-I923 HydrophobicContact CG2-CG2 3.41Å; I589-I923 VanDerWaalsContact CG2-CG2 3.41Å; Y593-I923 HydrophobicContact CD2-CB 4.3Å; Y593-I923 HydrophobicContact CD2-CD1 4.17Å; Y593-I923 HydrophobicContact CD2-CG2 3.6Å; Y593-I923 HydrophobicContact CE2-CD1 3.97Å; Y593-I923 HydrophobicContact CE2-CG2 4.38Å; Y593-I923 HydrophobicContact CG-CB 4.25Å; Y593-I923 HydrophobicContact CG-CG2 3.89Å; F791-I923 HydrophobicContact CB-CD1 3.94Å; F791-I923 HydrophobicContact CB-CG1 4.33Å; F791-I923 HydrophobicContact CD1-CD1 3.87Å; F791-I923 HydrophobicContact CD1-CG1 3.58Å; F791-I923 HydrophobicContact CE1-CG1 3.91Å; F791-I923 HydrophobicContact CG-CD1 4.08Å; F791-I923 HydrophobicContact CG-CG1 3.94Å; K919-I923 HydrophobicContact CD-CD1 4.17Å; K919-I923 VanDerWaalsContact CE-CD1 3.45Å; K919-I923 HydrophobicContact CG-CD1 3.61Å; K919-I923 HydrophobicContact CG-CG1 4.36Å; K919-I923 WeakPolarHBondContact O-CG1 3.36Å; K919-I923 PolarHBondContact O-N 3.35Å; A920-I923 PolarHBondContact O-N 2.94Å; I923-A925 VanDerWaalsContact C-N 3.32Å; I923-A925 PolarHBondContact O-N 2.87Å; I923-L926 PolarHBondContact O-N 2.76Å; I923-V927 HydrophobicContact CG2-CG2 3.8Å; I923-V927 WeakPolarHBondContact O-CB 3.23Å; I923-V927 WeakPolarHBondContact O-CG2 3.15Å; I923-V927 PolarHBondContact O-N 2.94Å |
| 924 | S | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -43.3 | -178.4 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | Y593 Q597 A920 N921 V927 Y928 | Y593-S924 VanDerWaalsContact O-CB 3.27Å; Y593-S924 WeakPolarHBondContact O-CB 3.08Å; Q597-S924 PolarHBondContact NE2-OG 3.14Å; Q597-S924 VanDerWaalsContact OE1-CB 3.27Å; Q597-S924 PolarHBondContact OE1-OG 3.47Å; A920-S924 WeakPolarHBondContact O-CB 3.47Å; A920-S924 PolarHBondContact O-N 2.88Å; A920-S924 PolarHBondContact O-OG 2.87Å; N921-S924 PolarHBondContact O-OG 2.91Å; N921-S924 VanDerWaalsContact O-OG 3.11Å; S924-V927 PolarHBondContact O-N 2.8Å; S924-Y928 VanDerWaalsContact O-CB 3.3Å; S924-Y928 WeakPolarHBondContact O-CB 3.39Å; S924-Y928 PolarHBondContact O-N 3.45Å |
| 925 | A | 86.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M706 L728 N921 I923 L929 | M706-A925 HydrophobicContact CE-CB 3.86Å; M706-A925 HydrophobicContact SD-CB 4.22Å; L728-A925 HydrophobicContact CD2-CB 3.94Å; N921-A925 WeakPolarHBondContact O-CB 3.4Å; N921-A925 PolarHBondContact O-N 2.79Å; I923-A925 VanDerWaalsContact C-N 3.32Å; I923-A925 PolarHBondContact O-N 2.87Å; A925-L929 WeakPolarHBondContact O-CB 3.47Å; A925-L929 VanDerWaalsContact O-CG 3.32Å; A925-L929 WeakPolarHBondContact O-CG 3.42Å; A925-L929 PolarHBondContact O-N 3.5Å |
| 926 | L | 89.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.5 | -71.1 | 169.4 | 0 | 0 | 0 | 112.3 | L728 L769 F772 I774 F791 W922 I923 L929 H930 | L728-L926 HydrophobicContact CD1-CD2 3.81Å; L728-L926 HydrophobicContact CD2-CD2 4.47Å; L769-L926 HydrophobicContact CD1-CD2 4.3Å; L769-L926 HydrophobicContact CD2-CD2 4.47Å; F772-L926 HydrophobicContact CE2-CB 4.37Å; F772-L926 WeakPolarHBondContact CZ-O 3.48Å; I774-L926 HydrophobicContact CD1-CB 3.71Å; F791-L926 HydrophobicContact CE2-CD1 3.85Å; F791-L926 HydrophobicContact CZ-CD1 3.76Å; W922-L926 WeakPolarHBondContact O-CD1 3.4Å; W922-L926 VanDerWaalsContact O-CG 3.29Å; W922-L926 WeakPolarHBondContact O-CG 3.24Å; W922-L926 PolarHBondContact O-N 2.88Å; I923-L926 PolarHBondContact O-N 2.76Å; L926-L929 PolarHBondContact O-N 3.08Å; L926-H930 PolarHBondContact O-N 3.01Å; L926-H930 VanDerWaalsContact O-N 3.09Å |
| 927 | V | 89.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.024 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.7 | -43.3 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | I589 A590 L594 I774 I923 S924 L929 H930 L931 | I589-V927 HydrophobicContact CG2-CG2 3.69Å; A590-V927 HydrophobicContact CB-CG1 3.64Å; L594-V927 HydrophobicContact CB-CG1 4.47Å; L594-V927 HydrophobicContact CD2-CG1 4.15Å; I774-V927 HydrophobicContact CD1-CG2 3.62Å; I923-V927 HydrophobicContact CG2-CG2 3.8Å; I923-V927 WeakPolarHBondContact O-CB 3.23Å; I923-V927 WeakPolarHBondContact O-CG2 3.15Å; I923-V927 PolarHBondContact O-N 2.94Å; S924-V927 PolarHBondContact O-N 2.8Å; V927-L929 PolarHBondContact O-N 2.77Å; V927-H930 PolarHBondContact O-N 2.96Å; V927-L931 HydrophobicContact CG1-CD1 3.65Å; V927-L931 HydrophobicContact CG1-CG 4.36Å; V927-L931 WeakPolarHBondContact O-CB 3.48Å; V927-L931 PolarHBondContact O-N 3.06Å |
| 928 | Y | 86 | Confident | 85.1 | Confident | 13 Ų | 13 | 25.8 Ų | 25.8 | 5% | 0.051 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 174.7 | -175.9 | -91.4 | 0 | 0 | 0 | 111.4 | H207 L594 L598 F662 F663 S924 H930 L931 A932 | H207-Y928 AromaticContact NE2-CZ 3.96Å; H207-Y928 PolarHBondContact NE2-OH 2.99Å; L594-Y928 HydrophobicContact CD1-CD2 4.03Å; L594-Y928 HydrophobicContact CD1-CG 4.43Å; L594-Y928 HydrophobicContact CD2-CD2 4.16Å; L598-Y928 HydrophobicContact CD2-CE2 4.4Å; F662-Y928 AromaticContact CE1-CD1 3.73Å; F662-Y928 HydrophobicContact CE1-CD1 3.73Å; F662-Y928 HydrophobicContact CE1-CE1 4.2Å; F662-Y928 AromaticContact CZ-CD1 3.7Å; F662-Y928 HydrophobicContact CZ-CD1 3.7Å; F662-Y928 AromaticContact CZ-CE1 3.89Å; F662-Y928 HydrophobicContact CZ-CE1 3.89Å; F663-Y928 AromaticContact CD1-CD1 3.59Å; F663-Y928 HydrophobicContact CD1-CD1 3.59Å; F663-Y928 AromaticContact CD1-CD2 3.9Å; F663-Y928 HydrophobicContact CD1-CD2 3.9Å; F663-Y928 AromaticContact CD1-CE1 3.71Å; F663-Y928 HydrophobicContact CD1-CE1 3.71Å; F663-Y928 HydrophobicContact CD1-CE2 4Å; F663-Y928 AromaticContact CD1-CG 3.69Å; F663-Y928 HydrophobicContact CD1-CG 3.69Å; F663-Y928 AromaticContact CD1-CZ 3.9Å; F663-Y928 AromaticContact CE1-CD1 3.7Å; F663-Y928 HydrophobicContact CE1-CD1 3.7Å; F663-Y928 AromaticContact CE1-CD2 3.92Å; F663-Y928 HydrophobicContact CE1-CD2 3.92Å; F663-Y928 HydrophobicContact CE1-CE1 4.3Å; F663-Y928 HydrophobicContact CE1-CE2 4.48Å; F663-Y928 AromaticContact CE1-CG 3.47Å; F663-Y928 HydrophobicContact CE1-CG 3.47Å; F663-Y928 VanDerWaalsContact CE1-CG 3.47Å; F663-Y928 HydrophobicContact CG-CD2 4.5Å; F663-Y928 HydrophobicContact CG-CE2 4.33Å; F663-Y928 HydrophobicContact CZ-CG 4.31Å; S924-Y928 VanDerWaalsContact O-CB 3.3Å; S924-Y928 WeakPolarHBondContact O-CB 3.39Å; S924-Y928 PolarHBondContact O-N 3.45Å; Y928-H930 VanDerWaalsContact C-N 3.27Å; Y928-H930 PolarHBondContact O-N 2.84Å; Y928-L931 PolarHBondContact O-N 3.25Å; Y928-A932 HydrophobicContact CD1-CB 3.97Å; Y928-A932 HydrophobicContact CD2-CB 4.07Å; Y928-A932 HydrophobicContact CE1-CB 3.87Å; Y928-A932 HydrophobicContact CE2-CB 3.99Å; Y928-A932 HydrophobicContact CG-CB 4.08Å; Y928-A932 WeakPolarHBondContact O-CB 3.44Å; Y928-A932 PolarHBondContact O-N 3.4Å |
| 929 | L | 82.3 | Confident | 84.9 | Confident | 22 Ų | 22 | 24.2 Ų | 24.2 | 12% | 0.115 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.9 | -37.5 | 173.3 | -78.9 | 175.3 | 0 | 0 | 0 | 113.4 | F662 L705 L728 S730 L769 A925 L926 V927 | F662-L929 HydrophobicContact CZ-CD2 3.96Å; F662-L929 HydrophobicContact CZ-CG 4.38Å; L705-L929 HydrophobicContact CD1-CD1 3.56Å; L705-L929 HydrophobicContact CD1-CD2 3.72Å; L705-L929 HydrophobicContact CD1-CG 3.87Å; L728-L929 HydrophobicContact CD1-CD1 4.45Å; L728-L929 HydrophobicContact CD2-CD1 4.34Å; L728-L929 HydrophobicContact CG-CD1 4.46Å; S730-L929 VanDerWaalsContact CB-CD2 3.5Å; L769-L929 HydrophobicContact CD1-CD1 4.25Å; A925-L929 WeakPolarHBondContact O-CB 3.47Å; A925-L929 VanDerWaalsContact O-CG 3.32Å; A925-L929 WeakPolarHBondContact O-CG 3.42Å; A925-L929 PolarHBondContact O-N 3.5Å; L926-L929 PolarHBondContact O-N 3.08Å; V927-L929 PolarHBondContact O-N 2.77Å |
| 930 | H | 83.6 | Confident | 84.3 | Confident | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.032 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.7 | -50.1 | 178.5 | -168.6 | 102.3 | 0 | 0 | 0 | 111.3 | F361 H586 F772 L926 V927 Y928 | F361-H930 AromaticContact CD1-CD2 3.92Å; F361-H930 AromaticContact CD1-NE2 3.3Å; F361-H930 VanDerWaalsContact CD1-NE2 3.3Å; F361-H930 WeakPolarHBondContact CD1-NE2 3.4Å; F361-H930 AromaticContact CE1-CD2 3.57Å; F361-H930 AromaticContact CE1-NE2 3.4Å; F361-H930 WeakPolarHBondContact CE1-NE2 3.47Å; H586-H930 AromaticContact CD2-NE2 3.92Å; H586-H930 AromaticContact NE2-CE1 3.84Å; H586-H930 AromaticContact NE2-NE2 3.78Å; F772-H930 HydrophobicContact CE2-CB 4.19Å; F772-H930 HydrophobicContact CZ-CB 3.86Å; F772-H930 PolarHBondContact O-CE1 3.23Å; F772-H930 PolarHBondContact O-ND1 2.81Å; L926-H930 PolarHBondContact O-N 3.01Å; L926-H930 VanDerWaalsContact O-N 3.09Å; V927-H930 PolarHBondContact O-N 2.96Å; Y928-H930 VanDerWaalsContact C-N 3.27Å; Y928-H930 PolarHBondContact O-N 2.84Å |
| 931 | L | 86.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -94.6 | -27.3 | -168.1 | -65.1 | 175.5 | 0 | 0 | 0 | 115.6 | F338 H586 M587 A590 V927 Y928 R933 L934 F935 | F338-L931 HydrophobicContact CE2-CD2 3.75Å; H586-L931 HydrophobicContact CB-CD1 4.41Å; H586-L931 HydrophobicContact CB-CD2 4.35Å; M587-L931 HydrophobicContact SD-CD1 4.12Å; A590-L931 HydrophobicContact CB-CD1 3.85Å; V927-L931 HydrophobicContact CG1-CD1 3.65Å; V927-L931 HydrophobicContact CG1-CG 4.36Å; V927-L931 WeakPolarHBondContact O-CB 3.48Å; V927-L931 PolarHBondContact O-N 3.06Å; Y928-L931 PolarHBondContact O-N 3.25Å; L931-R933 PolarHBondContact O-N 3.18Å; L931-L934 HydrophobicContact CD2-CD2 4.23Å; L931-L934 CarbonylContact O-C 3.58Å; L931-L934 WeakPolarHBondContact O-CA 3.3Å; L931-L934 WeakPolarHBondContact O-CB 3.48Å; L931-L934 PolarHBondContact O-N 2.88Å; L931-F935 HydrophobicContact CB-CD1 4.37Å; L931-F935 HydrophobicContact CB-CD2 4.11Å; L931-F935 HydrophobicContact CB-CE1 4.03Å; L931-F935 HydrophobicContact CB-CE2 3.75Å; L931-F935 HydrophobicContact CB-CG 4.43Å; L931-F935 HydrophobicContact CB-CZ 3.72Å; L931-F935 HydrophobicContact CD1-CE1 4.25Å; L931-F935 HydrophobicContact CD1-CE2 4.25Å; L931-F935 HydrophobicContact CD1-CZ 3.66Å; L931-F935 HydrophobicContact CD2-CE1 4.5Å; L931-F935 HydrophobicContact CG-CZ 4.21Å; L931-F935 WeakPolarHBondContact O-CG 3.34Å; L931-F935 PolarHBondContact O-N 3.39Å |
| 932 | A | 79.6 | Confident | 82.7 | Confident | 20 Ų | 20 | 30.2 Ų | 30.2 | 17% | 0.165 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -28.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y928 K936 | Y928-A932 HydrophobicContact CD1-CB 3.97Å; Y928-A932 HydrophobicContact CD2-CB 4.07Å; Y928-A932 HydrophobicContact CE1-CB 3.87Å; Y928-A932 HydrophobicContact CE2-CB 3.99Å; Y928-A932 HydrophobicContact CG-CB 4.08Å; Y928-A932 WeakPolarHBondContact O-CB 3.44Å; Y928-A932 PolarHBondContact O-N 3.4Å; A932-K936 WeakPolarHBondContact O-CB 3.25Å; A932-K936 PolarHBondContact O-N 3.29Å |
| 933 | R | 77.6 | Confident | 81.2 | Confident | 147 Ų | 147 | 35 Ų | 35 | 56% | 0.555 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -72.2 | -33.7 | 172.1 | -71.1 | -176.6 | 178.2 | 134.5 | -1.2 | 113.1 | L931 R937 | L931-R933 PolarHBondContact O-N 3.18Å; R933-R937 WeakPolarHBondContact O-CB 3.33Å; R933-R937 VanDerWaalsContact O-CG 3.3Å; R933-R937 WeakPolarHBondContact O-CG 3.44Å; R933-R937 PolarHBondContact O-N 2.88Å |
| 934 | L | 82.7 | Confident | 79.5 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.7 | -52.4 | 174.7 | 177.1 | 61 | 0 | 0 | 0 | 109.8 | F338 I341 L342 T345 F361 L931 K936 R937 Y938 | F338-L934 HydrophobicContact CD2-CD2 4.44Å; F338-L934 HydrophobicContact CE2-CD2 3.73Å; F338-L934 HydrophobicContact CZ-CD2 4.49Å; I341-L934 HydrophobicContact CG2-CD1 4.13Å; I341-L934 HydrophobicContact CG2-CD2 4.06Å; I341-L934 HydrophobicContact CG2-CG 3.81Å; L342-L934 HydrophobicContact CD2-CD1 3.94Å; L342-L934 HydrophobicContact CD2-CD2 3.77Å; L342-L934 HydrophobicContact CG-CD2 4.29Å; T345-L934 HydrophobicContact CG2-CD1 3.88Å; F361-L934 HydrophobicContact CD1-CD2 4.37Å; F361-L934 HydrophobicContact CE1-CB 4.36Å; F361-L934 HydrophobicContact CE1-CD2 4.19Å; F361-L934 HydrophobicContact CE2-CB 4.17Å; F361-L934 HydrophobicContact CE2-CD1 4.25Å; F361-L934 HydrophobicContact CE2-CD2 4.34Å; F361-L934 HydrophobicContact CE2-CG 4.49Å; F361-L934 HydrophobicContact CZ-CB 3.76Å; F361-L934 HydrophobicContact CZ-CD2 4.18Å; F361-L934 HydrophobicContact CZ-CG 4.42Å; L931-L934 HydrophobicContact CD2-CD2 4.23Å; L931-L934 CarbonylContact O-C 3.58Å; L931-L934 WeakPolarHBondContact O-CA 3.3Å; L931-L934 WeakPolarHBondContact O-CB 3.48Å; L931-L934 PolarHBondContact O-N 2.88Å; L934-K936 PolarHBondContact O-N 3.43Å; L934-R937 PolarHBondContact O-N 3.38Å; L934-R937 VanDerWaalsContact O-N 3.1Å; L934-Y938 WeakPolarHBondContact O-CB 3.47Å; L934-Y938 PolarHBondContact O-N 3.43Å |
| 935 | F | 86.8 | Confident | 77.9 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.1 | -48.2 | 175.6 | -64.8 | -15.8 | 0 | 0 | 0 | 112.1 | I210 I214 F215 M587 L594 L931 R937 Y938 L939 | I210-F935 HydrophobicContact CD1-CB 4.24Å; I210-F935 HydrophobicContact CD1-CD2 4.15Å; I210-F935 HydrophobicContact CG1-CB 4.16Å; I210-F935 HydrophobicContact CG1-CD2 4.32Å; I210-F935 HydrophobicContact CG2-CD2 3.83Å; I210-F935 HydrophobicContact CG2-CE2 4.04Å; I214-F935 HydrophobicContact CD1-CB 3.64Å; I214-F935 HydrophobicContact CD1-CD1 3.69Å; I214-F935 HydrophobicContact CD1-CD2 4.46Å; I214-F935 HydrophobicContact CD1-CE1 4.41Å; I214-F935 HydrophobicContact CD1-CG 3.7Å; I214-F935 HydrophobicContact CG2-CD1 4.24Å; I214-F935 HydrophobicContact CG2-CE1 3.93Å; I214-F935 HydrophobicContact CG2-CZ 4.21Å; F215-F935 HydrophobicContact CZ-CZ 4.48Å; M587-F935 HydrophobicContact CE-CE1 4.13Å; M587-F935 HydrophobicContact CE-CZ 4.15Å; M587-F935 HydrophobicContact SD-CE1 3.56Å; M587-F935 VanDerWaalsContact SD-CE1 3.56Å; M587-F935 HydrophobicContact SD-CZ 3.58Å; M587-F935 VanDerWaalsContact SD-CZ 3.58Å; L594-F935 HydrophobicContact CD2-CE2 4.47Å; L931-F935 HydrophobicContact CB-CD1 4.37Å; L931-F935 HydrophobicContact CB-CD2 4.11Å; L931-F935 HydrophobicContact CB-CE1 4.03Å; L931-F935 HydrophobicContact CB-CE2 3.75Å; L931-F935 HydrophobicContact CB-CG 4.43Å; L931-F935 HydrophobicContact CB-CZ 3.72Å; L931-F935 HydrophobicContact CD1-CE1 4.25Å; L931-F935 HydrophobicContact CD1-CE2 4.25Å; L931-F935 HydrophobicContact CD1-CZ 3.66Å; L931-F935 HydrophobicContact CD2-CE1 4.5Å; L931-F935 HydrophobicContact CG-CZ 4.21Å; L931-F935 WeakPolarHBondContact O-CG 3.34Å; L931-F935 PolarHBondContact O-N 3.39Å; F935-R937 PolarHBondContact O-N 2.75Å; F935-Y938 PolarHBondContact O-N 2.98Å; F935-L939 WeakPolarHBondContact O-CB 2.89Å; F935-L939 VanDerWaalsContact O-CG 3.28Å; F935-L939 WeakPolarHBondContact O-CG 3.06Å; F935-L939 PolarHBondContact O-N 2.87Å |
| 936 | K | 79 | Confident | 76.4 | Confident | 107 Ų | 107 | 53 Ų | 53 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 176.9 | -178.4 | 162.2 | -180 | 156.4 | 0 | 112.8 | A932 L934 T940 | A932-K936 WeakPolarHBondContact O-CB 3.25Å; A932-K936 PolarHBondContact O-N 3.29Å; L934-K936 PolarHBondContact O-N 3.43Å; K936-T940 WeakPolarHBondContact O-CG2 3.34Å; K936-T940 PolarHBondContact O-N 2.82Å; K936-T940 PolarHBondContact O-OG1 2.88Å |
| 937 | R | 79 | Confident | 75.3 | Confident | 77 Ų | 77 | 53.3 Ų | 53.3 | 29% | 0.291 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 174.8 | -79.6 | 177.6 | 179.8 | 173.9 | 2.5 | 110.8 | T345 E356 I357 R933 L934 F935 T940 S941 | T345-R937 HydrophobicContact CG2-CB 3.71Å; E356-R937 IonicContact OE1-CZ 2.79Å; E356-R937 IonicContact OE1-NH1 2.77Å; E356-R937 PolarHBondContact OE1-NH1 3.11Å; E356-R937 VanDerWaalsContact OE1-NH1 3.15Å; E356-R937 IonicContact OE1-NH2 3.63Å; E356-R937 PolarHBondContact OE1-NH2 3.34Å; I357-R937 VanDerWaalsContact CG1-NH1 3.28Å; R933-R937 WeakPolarHBondContact O-CB 3.33Å; R933-R937 VanDerWaalsContact O-CG 3.3Å; R933-R937 WeakPolarHBondContact O-CG 3.44Å; R933-R937 PolarHBondContact O-N 2.88Å; L934-R937 PolarHBondContact O-N 3.38Å; L934-R937 VanDerWaalsContact O-N 3.1Å; F935-R937 PolarHBondContact O-N 2.75Å; R937-T940 WeakPolarHBondContact CA-OG1 3.27Å; R937-T940 CarbonylContact O-C 3.59Å; R937-T940 PolarHBondContact O-N 3.2Å; R937-T940 PolarHBondContact O-OG1 3.26Å; R937-S941 WeakPolarHBondContact O-CB 3.27Å; R937-S941 PolarHBondContact O-N 3.02Å; R937-S941 PolarHBondContact O-OG 3.47Å |
| 938 | Y | 82.3 | Confident | 74.6 | Confident | 13 Ų | 13 | 56 Ų | 56 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55 | -54.1 | 176.8 | 176.8 | -107.6 | 0 | 0 | 0 | 111.6 | I214 I341 V344 L934 F935 T940 S941 L942 | I214-Y938 HydrophobicContact CD1-CD1 3.91Å; I214-Y938 HydrophobicContact CD1-CE1 4.47Å; I214-Y938 HydrophobicContact CG1-CD1 3.82Å; I214-Y938 HydrophobicContact CG1-CE1 3.87Å; I341-Y938 HydrophobicContact CB-CD2 4.22Å; I341-Y938 HydrophobicContact CB-CE2 4.42Å; I341-Y938 HydrophobicContact CB-CG 4.46Å; I341-Y938 HydrophobicContact CG1-CD1 4.16Å; I341-Y938 HydrophobicContact CG1-CD2 4.08Å; I341-Y938 HydrophobicContact CG1-CE1 4.02Å; I341-Y938 HydrophobicContact CG1-CE2 3.94Å; I341-Y938 HydrophobicContact CG1-CG 4.18Å; I341-Y938 HydrophobicContact CG2-CD2 4.14Å; I341-Y938 HydrophobicContact CG2-CG 4.01Å; V344-Y938 HydrophobicContact CB-CD2 4.11Å; V344-Y938 HydrophobicContact CB-CE2 4.04Å; V344-Y938 HydrophobicContact CG1-CD2 4.01Å; V344-Y938 HydrophobicContact CG1-CE2 4.05Å; V344-Y938 HydrophobicContact CG2-CE2 4.37Å; L934-Y938 WeakPolarHBondContact O-CB 3.47Å; L934-Y938 PolarHBondContact O-N 3.43Å; F935-Y938 PolarHBondContact O-N 2.98Å; Y938-T940 VanDerWaalsContact C-N 3.28Å; Y938-T940 PolarHBondContact O-N 2.7Å; Y938-S941 WeakPolarHBondContact CA-OG 3.29Å; Y938-S941 CarbonylContact O-C 3.56Å; Y938-S941 WeakPolarHBondContact O-CA 3.37Å; Y938-S941 PolarHBondContact O-N 2.85Å; Y938-S941 PolarHBondContact O-OG 2.94Å; Y938-L942 HydrophobicContact CD1-CD1 4.38Å; Y938-L942 HydrophobicContact CE1-CD1 3.96Å; Y938-L942 HydrophobicContact CE1-CD2 4.28Å; Y938-L942 HydrophobicContact CE1-CG 4.23Å; Y938-L942 HydrophobicContact CE2-CD2 4.1Å; Y938-L942 PolarHBondContact O-N 2.96Å |
| 939 | L | 81 | Confident | 74.3 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 18% | 0.183 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.9 | -34 | 177.3 | -67.5 | 172 | 0 | 0 | 0 | 113.3 | I210 L213 I214 F935 S941 L942 | I210-L939 HydrophobicContact CG1-CD1 3.75Å; L213-L939 HydrophobicContact CB-CD2 3.91Å; L213-L939 HydrophobicContact CD1-CD2 3.89Å; L213-L939 HydrophobicContact CG-CD2 4.46Å; I214-L939 HydrophobicContact CD1-CD1 4.37Å; I214-L939 HydrophobicContact CD1-CD2 4.31Å; I214-L939 HydrophobicContact CD1-CG 4.15Å; I214-L939 HydrophobicContact CG1-CD2 4.4Å; F935-L939 WeakPolarHBondContact O-CB 2.89Å; F935-L939 VanDerWaalsContact O-CG 3.28Å; F935-L939 WeakPolarHBondContact O-CG 3.06Å; F935-L939 PolarHBondContact O-N 2.87Å; L939-S941 VanDerWaalsContact C-N 3.3Å; L939-L942 HydrophobicContact CD2-CD1 4.17Å |
| 940 | T | 75.8 | Confident | 74.6 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -80 | -7.1 | 173 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | K936 R937 Y938 | K936-T940 WeakPolarHBondContact O-CG2 3.34Å; K936-T940 PolarHBondContact O-N 2.82Å; K936-T940 PolarHBondContact O-OG1 2.88Å; R937-T940 WeakPolarHBondContact CA-OG1 3.27Å; R937-T940 CarbonylContact O-C 3.59Å; R937-T940 PolarHBondContact O-N 3.2Å; R937-T940 PolarHBondContact O-OG1 3.26Å; Y938-T940 VanDerWaalsContact C-N 3.28Å; Y938-T940 PolarHBondContact O-N 2.7Å |
| 941 | S | 69.9 | Low | 74.9 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 22% | 0.217 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -112.4 | -12.9 | -179.3 | 72.4 | 0 | 0 | 0 | 0 | 113.9 | R937 Y938 L939 | R937-S941 WeakPolarHBondContact O-CB 3.27Å; R937-S941 PolarHBondContact O-N 3.02Å; R937-S941 PolarHBondContact O-OG 3.47Å; Y938-S941 WeakPolarHBondContact CA-OG 3.29Å; Y938-S941 CarbonylContact O-C 3.56Å; Y938-S941 WeakPolarHBondContact O-CA 3.37Å; Y938-S941 PolarHBondContact O-N 2.85Å; Y938-S941 PolarHBondContact O-OG 2.94Å; L939-S941 VanDerWaalsContact C-N 3.3Å |
| 942 | L | 70.3 | Confident | 75.2 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -58.2 | 145.7 | 157.7 | -69.7 | 176.7 | 0 | 0 | 0 | 108.7 | L213 Y938 L939 R944 | L213-L942 HydrophobicContact CB-CD1 4.31Å; L213-L942 HydrophobicContact CD1-CD1 4.12Å; Y938-L942 HydrophobicContact CD1-CD1 4.38Å; Y938-L942 HydrophobicContact CE1-CD1 3.96Å; Y938-L942 HydrophobicContact CE1-CD2 4.28Å; Y938-L942 HydrophobicContact CE1-CG 4.23Å; Y938-L942 HydrophobicContact CE2-CD2 4.1Å; Y938-L942 PolarHBondContact O-N 2.96Å; L939-L942 HydrophobicContact CD2-CD1 4.17Å; L942-R944 PolarHBondContact O-N 3.38Å |
| 943 | P | 58.8 | Low | 75.8 | Confident | 118 Ų | 118 | 63.5 Ų | 63.5 | 77% | 0.766 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 124.9 | 170.8 | -22.2 | 33 | 0 | 0 | 0 | 109.2 | Q945 | P943-Q945 PolarHBondContact O-N 3.04Š|
| 944 | R | 54.9 | Low | 76.4 | Confident | 190 Ų | 190 | 59.4 Ų | 59.4 | 72% | 0.717 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 128.1 | 164.2 | -69 | -176.5 | 175.9 | -161.5 | -4.8 | 107.1 | L942 D946 | L942-R944 PolarHBondContact O-N 3.38Å; R944-D946 WeakPolarHBondContact CB-OD1 3.29Å; R944-D946 PolarHBondContact O-N 2.77Å |
| 945 | Q | 56 | Low | 76.8 | Confident | 79 Ų | 79 | 64.3 Ų | 64.3 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | trans | -73.2 | 72.6 | 162.7 | -63.6 | 178.8 | 2.1 | 0 | 0 | 107 | P943 L947 I1049 | P943-Q945 PolarHBondContact O-N 3.04Å; Q945-L947 PolarHBondContact O-N 3.07Å; Q945-I1049 HydrophobicContact CB-CD1 4.45Å; Q945-I1049 HydrophobicContact CG-CD1 4.07Å | ||
| 946 | D | 54.2 | Low | 77.1 | Confident | 108 Ų | 108 | 69.2 Ų | 69.2 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | trans | -69.1 | 81.9 | 176.1 | -74 | -33.4 | 0 | 0 | 0 | 107.9 | R944 | R944-D946 WeakPolarHBondContact CB-OD1 3.29Å; R944-D946 PolarHBondContact O-N 2.77Å | ||
| 947 | L | 65.5 | Low | 77.9 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | trans | -52.2 | 122.9 | -171.5 | -78.5 | 157.5 | 0 | 0 | 0 | 110.5 | Q945 L949 R1061 L1062 R1065 | Q945-L947 PolarHBondContact O-N 3.07Å; L947-L949 PolarHBondContact O-N 2.81Å; L947-R1061 HydrophobicContact CD1-CB 3.67Å; L947-R1061 HydrophobicContact CD1-CG 4.39Å; L947-L1062 HydrophobicContact CB-CD2 4.18Å; L947-L1062 HydrophobicContact CD2-CD2 3.74Å; L947-L1062 HydrophobicContact CD2-CG 4.22Å; L947-R1065 PolarHBondContact O-NE 2.94Å; L947-R1065 PolarHBondContact O-NH2 3.18Å | ||
| 948 | P | 74.6 | Confident | 78.7 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 38% | 0.383 | 36% | 0.362 | S | S | . | . | trans | -63.3 | 134.9 | -178.3 | 25.5 | -33.8 | 0 | 0 | 0 | 109.9 | I950 L1062 | P948-I950 VanDerWaalsContact C-N 3.34Å; P948-I950 HydrophobicContact CB-CD1 4.1Å; P948-I950 HydrophobicContact CG-CD1 3.96Å; P948-I950 PolarHBondContact O-N 3.46Å; P948-L1062 HydrophobicContact CG-CD2 4.26Å; P948-L1062 WeakPolarHBondContact O-CD2 3.47Å | ||
| 949 | L | 81.1 | Confident | 79.3 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 28% | 0.277 | 36% | 0.36 | S | S | . | . | trans | -74.9 | 90.7 | 173.1 | -179.3 | 61.1 | 0 | 0 | 0 | 108.8 | L947 L951 F1066 V1069 Y1070 | L947-L949 PolarHBondContact O-N 2.81Å; L949-L951 HydrophobicContact CD2-CD2 4.36Å; L949-L951 HydrophobicContact CG-CD2 4.1Å; L949-L951 PolarHBondContact O-N 3.47Å; L949-F1066 HydrophobicContact CD1-CB 4.44Å; L949-F1066 HydrophobicContact CD1-CD2 4.34Å; L949-V1069 HydrophobicContact CD2-CG1 4.48Å; L949-Y1070 HydrophobicContact CD2-CD2 4.16Å | ||
| 950 | I | 87.9 | Confident | 80 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 20% | 0.2 | 36% | 0.357 | C | S | . | . | trans | -66.4 | 124 | 176.7 | -52.4 | -57.5 | 0 | 0 | 0 | 109 | P948 P1036 A1041 L1062 F1066 | P948-I950 VanDerWaalsContact C-N 3.34Å; P948-I950 HydrophobicContact CB-CD1 4.1Å; P948-I950 HydrophobicContact CG-CD1 3.96Å; P948-I950 PolarHBondContact O-N 3.46Å; I950-P1036 HydrophobicContact CB-CG 4.46Å; I950-P1036 HydrophobicContact CG2-CB 3.87Å; I950-P1036 HydrophobicContact CG2-CG 3.95Å; I950-A1041 HydrophobicContact CD1-CB 3.88Å; I950-A1041 HydrophobicContact CG1-CB 3.82Å; I950-A1041 HydrophobicContact CG2-CB 4.21Å; I950-L1062 HydrophobicContact CG1-CD1 4.41Å; I950-L1062 HydrophobicContact CG1-CD2 4.21Å; I950-F1066 WeakPolarHBondContact O-CD2 3.08Å | ||
| 951 | L | 90.6 | Very high | 80.8 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 34% | 0.335 | 35% | 0.348 | S | S | . | . | trans | -105.6 | 154.7 | 173.8 | -60.1 | -177.1 | 0 | 0 | 0 | 110.1 | L949 A960 F1066 Y1070 | L949-L951 HydrophobicContact CD2-CD2 4.36Å; L949-L951 HydrophobicContact CG-CD2 4.1Å; L949-L951 PolarHBondContact O-N 3.47Å; L951-A960 HydrophobicContact CB-CB 4.31Å; L951-F1066 HydrophobicContact CD2-CD2 4.4Å; L951-F1066 HydrophobicContact CD2-CE2 4.13Å; L951-Y1070 HydrophobicContact CD1-CE2 4.25Å; L951-Y1070 HydrophobicContact CD2-CD1 4.19Å; L951-Y1070 HydrophobicContact CD2-CD2 3.53Å; L951-Y1070 HydrophobicContact CD2-CE1 4.27Å; L951-Y1070 HydrophobicContact CD2-CE2 3.6Å; L951-Y1070 HydrophobicContact CD2-CG 3.83Å | ||
| 952 | P | 92.9 | Very high | 81.9 | Confident | 6 Ų | 6 | 66.5 Ų | 66.5 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | trans | -61.1 | 151.5 | 172.5 | -19.4 | 31.9 | 0 | 0 | 0 | 111.7 | A960 P1034 F1066 | P952-A960 WeakPolarHBondContact O-CB 3.02Å; P952-P1034 HydrophobicContact CB-CG 3.86Å; P952-P1034 HydrophobicContact CG-CG 3.92Å; P952-P1034 WeakPolarHBondContact CG-O 3.25Å; P952-F1066 HydrophobicContact CG-CE2 4.43Å; P952-F1066 HydrophobicContact CG-CZ 4.05Å | ||
| 953 | S | 90.8 | Very high | 83 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 42% | 0.42 | 37% | 0.372 | S | S | . | . | trans | -50.9 | 135.8 | 177.1 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | S955 V956 Y957 | S953-S955 PolarHBondContact O-N 3.24Å; S953-S955 PolarHBondContact OG-N 3.36Å; S953-S955 PolarHBondContact OG-OG 2.85Å; S953-V956 PolarHBondContact O-N 3.15Å; S953-Y957 PolarHBondContact O-N 3.41Å | ||
| 954 | P | 91.2 | Very high | 84.6 | Confident | 60 Ų | 60 | 63.4 Ų | 63.4 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22.3 | 173.7 | -26.8 | 35.2 | 0 | 0 | 0 | 114.8 | V956 A960 V961 | P954-V956 VanDerWaalsContact C-N 3.33Å; P954-A960 HydrophobicContact CG-CB 4.3Å; P954-V961 HydrophobicContact CB-CG2 3.86Å |
| 955 | S | 90.2 | Very high | 86.1 | Confident | 106 Ų | 106 | 59.3 Ų | 59.3 | 74% | 0.741 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -21 | 174 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | S953 | S953-S955 PolarHBondContact O-N 3.24Å; S953-S955 PolarHBondContact OG-N 3.36Å; S953-S955 PolarHBondContact OG-OG 2.85Å |
| 956 | V | 93.1 | Very high | 87.7 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -33.3 | 179.5 | -172.7 | 0 | 0 | 0 | 0 | 111 | S953 P954 P1034 | S953-V956 PolarHBondContact O-N 3.15Å; P954-V956 VanDerWaalsContact C-N 3.33Å; V956-P1034 HydrophobicContact CG1-CG 4.13Å |
| 957 | Y | 95.5 | Very high | 89.5 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | trans | -133.8 | 101.2 | -179 | -171.8 | -110.4 | 0 | 0 | 0 | 110.7 | S953 Y959 A960 R1030 I1033 P1034 Y1070 | S953-Y957 PolarHBondContact O-N 3.41Å; Y957-Y959 HydrophobicContact CE1-CD2 4.25Å; Y957-Y959 HydrophobicContact CE1-CG 4.44Å; Y957-Y959 AromaticContact CE2-CD2 3.93Å; Y957-Y959 HydrophobicContact CE2-CD2 3.93Å; Y957-Y959 AromaticContact CZ-CD2 3.75Å; Y957-Y959 PolarHBondContact O-N 3.02Å; Y957-A960 HydrophobicContact CD1-CB 4.24Å; Y957-A960 WeakPolarHBondContact O-CB 3.22Å; Y957-A960 PolarHBondContact O-N 2.88Å; Y957-R1030 WeakPolarHBondContact OH-CD 3.38Å; Y957-R1030 PolarHBondContact OH-NH1 3.09Å; Y957-R1030 PolarHBondContact OH-O 3.12Å; Y957-I1033 HydrophobicContact CE2-CB 4.44Å; Y957-I1033 HydrophobicContact CE2-CG1 4.03Å; Y957-I1033 WeakPolarHBondContact OH-CG1 3.47Å; Y957-P1034 HydrophobicContact CD2-CG 4.46Å; Y957-Y1070 HydrophobicContact CE1-CE1 4.2Å | ||
| 958 | R | 95.3 | Very high | 90.9 | Very high | 117 Ų | 117 | 54.4 Ų | 54.4 | 44% | 0.442 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -62.8 | -20.7 | -168.5 | -58.3 | -169.9 | -66.3 | 166.3 | -2 | 114.5 | A960 V961 L990 E1029 | R958-A960 VanDerWaalsContact C-N 3.25Å; R958-A960 PolarHBondContact O-N 3.27Å; R958-V961 WeakPolarHBondContact O-CG2 3.3Å; R958-L990 HydrophobicContact CB-CD1 4.22Å; R958-E1029 IonicContact CZ-OE1 2.69Å; R958-E1029 IonicContact CZ-OE2 3.7Å; R958-E1029 IonicContact NE-OE1 3.35Å; R958-E1029 PolarHBondContact NE-OE1 3.36Å; R958-E1029 IonicContact NE-OE2 2.84Å; R958-E1029 IonicContact NH2-OE1 3.22Å; R958-E1029 PolarHBondContact NH2-OE1 3.25Å; R958-E1029 IonicContact NH2-OE2 3.17Å; R958-E1029 PolarHBondContact NH2-OE2 2.95Å |
| 959 | Y | 96.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -82.7 | 7.8 | 175.3 | -51.5 | -79.4 | 0 | 0 | 0 | 114.1 | Y957 L990 I993 E994 L1026 E1029 R1030 | Y957-Y959 HydrophobicContact CE1-CD2 4.25Å; Y957-Y959 HydrophobicContact CE1-CG 4.44Å; Y957-Y959 AromaticContact CE2-CD2 3.93Å; Y957-Y959 HydrophobicContact CE2-CD2 3.93Å; Y957-Y959 AromaticContact CZ-CD2 3.75Å; Y957-Y959 PolarHBondContact O-N 3.02Å; Y959-L990 HydrophobicContact CD1-CB 4.33Å; Y959-L990 HydrophobicContact CD1-CD2 4.48Å; Y959-L990 HydrophobicContact CE1-CB 4.08Å; Y959-L990 HydrophobicContact CE1-CD2 3.69Å; Y959-L990 HydrophobicContact CE1-CG 4.5Å; Y959-L990 WeakPolarHBondContact CE1-O 3.3Å; Y959-I993 HydrophobicContact CE1-CB 4.21Å; Y959-I993 HydrophobicContact CE1-CG2 4.04Å; Y959-E994 HydrophobicContact CD1-CB 4.05Å; Y959-L1026 PolarHBondContact OH-O 3.08Å; Y959-E1029 HydrophobicContact CE2-CB 4.28Å; Y959-E1029 HydrophobicContact CE2-CG 4Å; Y959-R1030 HydrophobicContact CD2-CB 4.31Å; Y959-R1030 HydrophobicContact CE2-CB 3.75Å; Y959-R1030 HydrophobicContact CE2-CG 4.44Å |
| 960 | A | 94.4 | Very high | 92.3 | Very high | 15 Ų | 15 | 53.9 Ų | 53.9 | 12% | 0.124 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -96 | -1.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L951 P952 P954 Y957 R958 P962 | L951-A960 HydrophobicContact CB-CB 4.31Å; P952-A960 WeakPolarHBondContact O-CB 3.02Å; P954-A960 HydrophobicContact CG-CB 4.3Å; Y957-A960 HydrophobicContact CD1-CB 4.24Å; Y957-A960 WeakPolarHBondContact O-CB 3.22Å; Y957-A960 PolarHBondContact O-N 2.88Å; R958-A960 VanDerWaalsContact C-N 3.25Å; R958-A960 PolarHBondContact O-N 3.27Å; A960-P962 WeakPolarHBondContact O-CD 3.42Å |
| 961 | V | 94.2 | Very high | 92.3 | Very high | 58 Ų | 58 | 54.6 Ų | 54.6 | 35% | 0.352 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -61.3 | 127 | 174.3 | 175.9 | 0 | 0 | 0 | 0 | 109.6 | P954 R958 K991 | P954-V961 HydrophobicContact CB-CG2 3.86Å; R958-V961 WeakPolarHBondContact O-CG2 3.3Å; V961-K991 VanDerWaalsContact O-CE 3.28Å; V961-K991 WeakPolarHBondContact O-CE 3.33Å; V961-K991 PolarHBondContact O-NZ 3.09Å |
| 962 | P | 92.8 | Very high | 91.6 | Very high | 98 Ų | 98 | 56.8 Ų | 56.8 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -59 | 154.5 | 178.1 | -26.7 | 35.7 | 0 | 0 | 0 | 113.9 | A960 N967 | A960-P962 WeakPolarHBondContact O-CD 3.42Å; P962-N967 PolarHBondContact O-ND2 2.95Å |
| 963 | D | 93.3 | Very high | 89.8 | Confident | 62 Ų | 62 | 62 Ų | 62 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 133 | 173.4 | -77.8 | 24.4 | 0 | 0 | 0 | 110.9 | I968 F970 K991 R995 | D963-I968 HydrophobicContact CB-CG2 3.7Å; D963-I968 WeakPolarHBondContact OD2-CG2 3.33Å; D963-F970 WeakPolarHBondContact OD2-CZ 3.46Å; D963-K991 WeakPolarHBondContact OD1-CE 3.36Å; D963-K991 IonicContact OD1-NZ 2.9Å; D963-K991 PolarHBondContact OD1-NZ 2.91Å; D963-R995 IonicContact OD1-NH2 3.39Å; D963-R995 PolarHBondContact OD1-NH2 2.9Å; D963-R995 IonicContact OD2-CZ 3.19Å; D963-R995 IonicContact OD2-NE 3.58Å; D963-R995 IonicContact OD2-NH2 2.72Å; D963-R995 PolarHBondContact OD2-NH2 3Å |
| 964 | S | 91.2 | Very high | 87.9 | Confident | 37 Ų | 37 | 67.7 Ų | 67.7 | 26% | 0.259 | 40% | 0.398 | S | S | . | . | trans | -146.2 | 156.8 | 176.5 | 68 | 0 | 0 | 0 | 0 | 111 | S966 N967 I968 | S964-S966 PolarHBondContact O-N 3.38Å; S964-S966 PolarHBondContact OG-OG 2.63Å; S964-N967 PolarHBondContact N-OD1 3.03Å; S964-N967 PolarHBondContact O-N 2.68Å; S964-N967 PolarHBondContact O-OD1 3.17Å; S964-N967 VanDerWaalsContact OG-CG 3.27Å; S964-N967 PolarHBondContact OG-N 3.29Å; S964-N967 PolarHBondContact OG-ND2 2.86Å; S964-I968 PolarHBondContact O-N 2.88Å | ||
| 965 | P | 87.8 | Confident | 85.5 | Confident | 104 Ų | 104 | 71.8 Ų | 71.8 | 68% | 0.675 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -21.7 | 176.7 | -24.9 | 34.8 | 0 | 0 | 0 | 114.2 | ||
| 966 | S | 88.5 | Confident | 83 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 48% | 0.476 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -9.5 | 174.8 | 49.2 | 0 | 0 | 0 | 0 | 114.5 | S964 | S964-S966 PolarHBondContact O-N 3.38Å; S964-S966 PolarHBondContact OG-OG 2.63Å |
| 967 | N | 93 | Very high | 80.4 | Confident | 17 Ų | 17 | 71 Ų | 71 | 9% | 0.091 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -22.7 | 178.2 | 74.3 | 29.7 | 0 | 0 | 0 | 115.7 | P962 S964 A987 T988 K991 | P962-N967 PolarHBondContact O-ND2 2.95Å; S964-N967 PolarHBondContact N-OD1 3.03Å; S964-N967 PolarHBondContact O-N 2.68Å; S964-N967 PolarHBondContact O-OD1 3.17Å; S964-N967 VanDerWaalsContact OG-CG 3.27Å; S964-N967 PolarHBondContact OG-N 3.29Å; S964-N967 PolarHBondContact OG-ND2 2.86Å; N967-A987 WeakPolarHBondContact O-CA 3.37Å; N967-T988 HydrophobicContact CB-CG2 4.17Å; N967-T988 PolarHBondContact O-N 3.35Å; N967-T988 PolarHBondContact O-OG1 3.4Å; N967-K991 HydrophobicContact CB-CG 4.3Å |
| 968 | I | 94 | Very high | 77.6 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 4% | 0.036 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 144.2 | 173.6 | -170.8 | 159.3 | 0 | 0 | 0 | 112.3 | D963 S964 F970 I984 A987 K991 R995 | D963-I968 HydrophobicContact CB-CG2 3.7Å; D963-I968 WeakPolarHBondContact OD2-CG2 3.33Å; S964-I968 PolarHBondContact O-N 2.88Å; I968-F970 HydrophobicContact CD1-CE1 3.7Å; I968-F970 HydrophobicContact CD1-CE2 4.19Å; I968-F970 HydrophobicContact CD1-CZ 3.46Å; I968-F970 VanDerWaalsContact CD1-CZ 3.46Å; I968-F970 HydrophobicContact CG1-CE1 4.17Å; I968-F970 HydrophobicContact CG1-CE2 4.11Å; I968-F970 HydrophobicContact CG1-CZ 3.86Å; I968-F970 HydrophobicContact CG2-CE2 4.09Å; I968-F970 HydrophobicContact CG2-CZ 4.35Å; I968-I984 HydrophobicContact CD1-CG1 4.48Å; I968-I984 HydrophobicContact CG1-CG2 4.46Å; I968-A987 HydrophobicContact CB-CB 4.34Å; I968-A987 HydrophobicContact CD1-CB 4.35Å; I968-A987 HydrophobicContact CG1-CB 4.02Å; I968-K991 HydrophobicContact CB-CB 4.3Å; I968-K991 HydrophobicContact CB-CD 4.41Å; I968-K991 HydrophobicContact CB-CG 4.3Å; I968-K991 HydrophobicContact CD1-CB 4.33Å; I968-K991 HydrophobicContact CG2-CD 4.39Å; I968-R995 HydrophobicContact CD1-CG 3.88Å |
| 969 | I | 93.4 | Very high | 75.3 | Confident | 30 Ų | 30 | 75 Ų | 75 | 15% | 0.154 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 125.8 | 177.1 | -57.2 | 171.4 | 0 | 0 | 0 | 108.1 | R985 A986 L1342 L1358 | I969-R985 HydrophobicContact CG2-CB 4.22Å; I969-R985 WeakPolarHBondContact O-CA 3.18Å; I969-R985 WeakPolarHBondContact O-CB 3.38Å; I969-R985 PolarHBondContact O-N 2.96Å; I969-A986 HydrophobicContact CD1-CB 4.49Å; I969-A986 PolarHBondContact N-O 3.15Å; I969-A986 PolarHBondContact O-N 2.69Å; I969-A986 VanDerWaalsContact O-N 3.13Å; I969-L1342 HydrophobicContact CD1-CD1 3.35Å; I969-L1358 HydrophobicContact CD1-CD1 3.41Å; I969-L1358 VanDerWaalsContact CD1-CD1 3.41Å; I969-L1358 HydrophobicContact CG1-CD1 3.86Å |
| 970 | F | 91.8 | Very high | 73.7 | Confident | 71 Ų | 71 | 77.4 Ų | 77.4 | 31% | 0.311 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 160.5 | 174.9 | -59.5 | -77 | 0 | 0 | 0 | 111.8 | D963 I968 P982 V983 I984 | D963-F970 WeakPolarHBondContact OD2-CZ 3.46Å; I968-F970 HydrophobicContact CD1-CE1 3.7Å; I968-F970 HydrophobicContact CD1-CE2 4.19Å; I968-F970 HydrophobicContact CD1-CZ 3.46Å; I968-F970 VanDerWaalsContact CD1-CZ 3.46Å; I968-F970 HydrophobicContact CG1-CE1 4.17Å; I968-F970 HydrophobicContact CG1-CE2 4.11Å; I968-F970 HydrophobicContact CG1-CZ 3.86Å; I968-F970 HydrophobicContact CG2-CE2 4.09Å; I968-F970 HydrophobicContact CG2-CZ 4.35Å; F970-P982 HydrophobicContact CD1-CB 3.65Å; F970-P982 HydrophobicContact CE1-CB 3.59Å; F970-P982 HydrophobicContact CG-CB 4.47Å; F970-P982 HydrophobicContact CZ-CB 4.37Å; F970-V983 CarbonylContact C-O 3.59Å; F970-V983 VanDerWaalsContact CA-O 3.3Å; F970-V983 WeakPolarHBondContact CA-O 3.3Å; F970-I984 HydrophobicContact CD1-CG1 4.45Å; F970-I984 HydrophobicContact CE1-CG1 4.25Å |
| 971 | E | 87.9 | Confident | 72.7 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 25% | 0.252 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 137.6 | 165.8 | -91.3 | 153.4 | -111.1 | 0 | 0 | 110.7 | S973 V983 R985 R1365 | E971-S973 PolarHBondContact O-N 3.14Å; E971-V983 HydrophobicContact CB-CB 4.31Å; E971-V983 HydrophobicContact CB-CG1 4.22Å; E971-V983 PolarHBondContact N-O 2.96Å; E971-R985 HydrophobicContact CG-CB 4.09Å; E971-R985 HydrophobicContact CG-CG 4.25Å; E971-R1365 VanDerWaalsContact CD-NH2 3.32Å; E971-R1365 IonicContact OE1-CZ 2.64Å; E971-R1365 IonicContact OE1-NH1 3.45Å; E971-R1365 PolarHBondContact OE1-NH1 3.32Å; E971-R1365 IonicContact OE1-NH2 2.66Å; E971-R1365 PolarHBondContact OE1-NH2 2.96Å; E971-R1365 IonicContact OE2-CZ 3.53Å; E971-R1365 IonicContact OE2-NH1 2.62Å; E971-R1365 IonicContact OE2-NH2 3.71Å; E971-R1365 PolarHBondContact OE2-NH2 2.84Å |
| 972 | S | 75.8 | Confident | 72.3 | Confident | 111 Ų | 111 | 80 Ų | 80 | 78% | 0.776 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 119.9 | 173.7 | 53 | 0 | 0 | 0 | 0 | 110.1 | Q974 | S972-Q974 PolarHBondContact O-N 2.65Å; S972-Q974 VanDerWaalsContact O-N 3.14Å |
| 973 | S | 56.1 | Low | 72.1 | Confident | 116 Ų | 116 | 78.5 Ų | 78.5 | 81% | 0.811 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 116.3 | -175.2 | -48.8 | 0 | 0 | 0 | 0 | 112.5 | E971 | E971-S973 PolarHBondContact O-N 3.14Š|
| 974 | Q | 49.8 | Very low | 72.1 | Confident | 179 Ų | 179 | 75.9 Ų | 75.9 | 84% | 0.836 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 147.8 | 164.8 | -69 | -175.5 | -5.1 | 0 | 0 | 109.1 | S972 D976 | S972-Q974 PolarHBondContact O-N 2.65Å; S972-Q974 VanDerWaalsContact O-N 3.14Å; Q974-D976 PolarHBondContact O-N 2.96Å |
| 975 | T | 40.9 | Very low | 72.2 | Confident | 145 Ų | 145 | 80.1 Ų | 80.1 | 89% | 0.89 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -79 | 41.8 | -157.2 | 52.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 976 | D | 37.6 | Very low | 72.5 | Confident | 109 Ų | 109 | 75.3 Ų | 75.3 | 58% | 0.583 | 47% | 0.471 | S | S | * | . | trans | -106.2 | 103.1 | 172.1 | -88.1 | -49.7 | 0 | 0 | 0 | 110.7 | K28 Q974 S978 | K28-D976 WeakPolarHBondContact CE-OD1 3.31Å; K28-D976 IonicContact NZ-OD1 2.63Å; Q974-D976 PolarHBondContact O-N 2.96Å; D976-S978 VanDerWaalsContact C-N 3.29Å; D976-S978 PolarHBondContact O-N 3.44Å | ||
| 977 | G | 37.9 | Very low | 72.8 | Confident | 86 Ų | 86 | 72 Ų | 72 | 89% | 0.887 | 45% | 0.449 | S | S | * | . | trans | -70 | 69.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 978 | S | 38.3 | Very low | 72.9 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 64% | 0.636 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -113 | 144.9 | 155.3 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | D976 G980 | D976-S978 VanDerWaalsContact C-N 3.29Å; D976-S978 PolarHBondContact O-N 3.44Å; S978-G980 PolarHBondContact O-N 3.32Å |
| 979 | A | 47.1 | Very low | 73 | Confident | 114 Ų | 114 | 74.3 Ų | 74.3 | 94% | 0.942 | 46% | 0.462 | S | S | * | . | trans | -75.4 | 63.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 980 | G | 60.9 | Low | 73.1 | Confident | 54 Ų | 54 | 75 Ų | 75 | 56% | 0.557 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -79 | 157.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S978 | S978-G980 PolarHBondContact O-N 3.32Š|
| 981 | I | 74.4 | Confident | 73.3 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 37% | 0.374 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 130.4 | -179.9 | -67.2 | 172.9 | 0 | 0 | 0 | 111.3 | V983 Y1001 D1003 | I981-V983 PolarHBondContact O-N 2.83Å; I981-Y1001 HydrophobicContact CB-CD2 4.36Å; I981-Y1001 HydrophobicContact CD1-CD2 4.21Å; I981-Y1001 HydrophobicContact CD1-CG 4.42Å; I981-Y1001 HydrophobicContact CG1-CD2 4.05Å; I981-Y1001 HydrophobicContact CG1-CG 4.01Å; I981-Y1001 HydrophobicContact CG2-CD2 3.5Å; I981-Y1001 HydrophobicContact CG2-CE2 3.47Å; I981-Y1001 VanDerWaalsContact CG2-CE2 3.47Å; I981-Y1001 HydrophobicContact CG2-CG 4.15Å; I981-D1003 HydrophobicContact CD1-CB 4.28Å; I981-D1003 HydrophobicContact CG2-CB 4.32Å |
| 982 | P | 85.2 | Confident | 73.7 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 36% | 0.357 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 122.5 | 176.9 | -27.5 | 34.9 | 0 | 0 | 0 | 113.5 | F970 Y1001 | F970-P982 HydrophobicContact CD1-CB 3.65Å; F970-P982 HydrophobicContact CE1-CB 3.59Å; F970-P982 HydrophobicContact CG-CB 4.47Å; F970-P982 HydrophobicContact CZ-CB 4.37Å; P982-Y1001 HydrophobicContact CG-CE1 4.18Å |
| 983 | V | 89.7 | Confident | 74.7 | Confident | 66 Ų | 66 | 64 Ų | 64 | 40% | 0.4 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -87 | 117.6 | -179.1 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | F970 E971 I981 | F970-V983 CarbonylContact C-O 3.59Å; F970-V983 VanDerWaalsContact CA-O 3.3Å; F970-V983 WeakPolarHBondContact CA-O 3.3Å; E971-V983 HydrophobicContact CB-CB 4.31Å; E971-V983 HydrophobicContact CB-CG1 4.22Å; E971-V983 PolarHBondContact N-O 2.96Å; I981-V983 PolarHBondContact O-N 2.83Å |
| 984 | I | 93 | Very high | 76.6 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.036 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127.1 | -178 | -50.7 | 174.4 | 0 | 0 | 0 | 110.3 | I968 F970 A987 L992 R995 M996 F1361 R1365 | I968-I984 HydrophobicContact CD1-CG1 4.48Å; I968-I984 HydrophobicContact CG1-CG2 4.46Å; F970-I984 HydrophobicContact CD1-CG1 4.45Å; F970-I984 HydrophobicContact CE1-CG1 4.25Å; I984-A987 HydrophobicContact CG2-CB 3.97Å; I984-L992 HydrophobicContact CD1-CD2 4.15Å; I984-L992 HydrophobicContact CG2-CD2 4.21Å; I984-R995 HydrophobicContact CD1-CB 3.62Å; I984-R995 HydrophobicContact CD1-CG 4.08Å; I984-M996 HydrophobicContact CD1-CE 3.99Å; I984-F1361 HydrophobicContact CB-CD1 4.45Å; I984-F1361 HydrophobicContact CG2-CB 4.21Å; I984-R1365 PolarHBondContact O-NH1 2.92Å |
| 985 | R | 93.4 | Very high | 78.8 | Confident | 126 Ų | 126 | 51.5 Ų | 51.5 | 48% | 0.475 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -48.4 | 172.4 | -167.7 | -174.3 | 174.1 | 104.1 | -1.3 | 111.8 | I969 E971 F1361 W1362 | I969-R985 HydrophobicContact CG2-CB 4.22Å; I969-R985 WeakPolarHBondContact O-CA 3.18Å; I969-R985 WeakPolarHBondContact O-CB 3.38Å; I969-R985 PolarHBondContact O-N 2.96Å; E971-R985 HydrophobicContact CG-CB 4.09Å; E971-R985 HydrophobicContact CG-CG 4.25Å; R985-F1361 PolarHBondContact O-N 2.97Å; R985-F1361 VanDerWaalsContact O-N 3.16Å; R985-W1362 HydrophobicContact CG-CB 4.17Å; R985-W1362 WeakPolarHBondContact O-CB 3.09Å; R985-W1362 PolarHBondContact O-N 2.95Å |
| 986 | A | 94.4 | Very high | 81.3 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 149.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I969 V1337 L1358 V1359 | I969-A986 HydrophobicContact CD1-CB 4.49Å; I969-A986 PolarHBondContact N-O 3.15Å; I969-A986 PolarHBondContact O-N 2.69Å; I969-A986 VanDerWaalsContact O-N 3.13Å; A986-V1337 HydrophobicContact CB-CG2 4.32Å; A986-L1358 HydrophobicContact CB-CB 4.05Å; A986-L1358 HydrophobicContact CB-CD1 4.44Å; A986-V1359 CarbonylContact C-O 3.59Å; A986-V1359 WeakPolarHBondContact CA-O 3.43Å; A986-V1359 WeakPolarHBondContact CB-O 3.38Å |
| 987 | A | 94.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 159.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N967 I968 I984 K991 L992 V1359 | N967-A987 WeakPolarHBondContact O-CA 3.37Å; I968-A987 HydrophobicContact CB-CB 4.34Å; I968-A987 HydrophobicContact CD1-CB 4.35Å; I968-A987 HydrophobicContact CG1-CB 4.02Å; I984-A987 HydrophobicContact CG2-CB 3.97Å; A987-K991 HydrophobicContact CB-CB 4.12Å; A987-L992 HydrophobicContact CB-CD2 3.8Å; A987-L992 HydrophobicContact CB-CG 3.91Å; A987-V1359 PolarHBondContact N-O 3.11Å; A987-V1359 VanDerWaalsContact N-O 3.1Å; A987-V1359 WeakPolarHBondContact O-CB 3.47Å; A987-V1359 PolarHBondContact O-N 2.96Å |
| 988 | T | 95.2 | Very high | 86.4 | Confident | 35 Ų | 35 | 36.7 Ų | 36.7 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | trans | -64.4 | 155.5 | 162.7 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | N967 L990 K991 L992 L1358 | N967-T988 HydrophobicContact CB-CG2 4.17Å; N967-T988 PolarHBondContact O-N 3.35Å; N967-T988 PolarHBondContact O-OG1 3.4Å; T988-L990 PolarHBondContact O-N 2.92Å; T988-K991 PolarHBondContact O-N 3.22Å; T988-K991 VanDerWaalsContact O-N 3.11Å; T988-K991 WeakPolarHBondContact OG1-CB 3.21Å; T988-K991 PolarHBondContact OG1-N 3.31Å; T988-L992 PolarHBondContact O-N 2.85Å; T988-L1358 HydrophobicContact CG2-CD2 3.82Å | ||
| 989 | I | 95.6 | Very high | 88.6 | Confident | 37 Ų | 37 | 33.4 Ų | 33.4 | 19% | 0.19 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -38.1 | 179.5 | -59.4 | 166.3 | 0 | 0 | 0 | 111.3 | L992 I993 Y1017 I1018 L1026 W1336 V1359 | I989-L992 PolarHBondContact O-N 2.87Å; I989-I993 HydrophobicContact CG2-CD1 4.19Å; I989-I993 PolarHBondContact O-N 2.98Å; I989-Y1017 HydrophobicContact CG1-CD2 4.2Å; I989-I1018 HydrophobicContact CD1-CB 4.34Å; I989-I1018 HydrophobicContact CG2-CD1 3.77Å; I989-L1026 HydrophobicContact CG2-CD1 3.98Å; I989-W1336 HydrophobicContact CD1-CH2 4.41Å; I989-V1359 HydrophobicContact CG1-CG2 3.93Å |
| 990 | L | 96 | Very high | 90.2 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | 175 | -65.2 | 175.7 | 0 | 0 | 0 | 111.5 | R958 Y959 T988 L992 I993 E994 L1026 | R958-L990 HydrophobicContact CB-CD1 4.22Å; Y959-L990 HydrophobicContact CD1-CB 4.33Å; Y959-L990 HydrophobicContact CD1-CD2 4.48Å; Y959-L990 HydrophobicContact CE1-CB 4.08Å; Y959-L990 HydrophobicContact CE1-CD2 3.69Å; Y959-L990 HydrophobicContact CE1-CG 4.5Å; Y959-L990 WeakPolarHBondContact CE1-O 3.3Å; T988-L990 PolarHBondContact O-N 2.92Å; L990-L992 VanDerWaalsContact C-N 3.32Å; L990-L992 PolarHBondContact O-N 2.83Å; L990-I993 PolarHBondContact O-N 2.96Å; L990-E994 WeakPolarHBondContact O-CB 3.27Å; L990-E994 PolarHBondContact O-N 3.39Å; L990-L1026 HydrophobicContact CD2-CD1 4.44Å; L990-L1026 HydrophobicContact CD2-CD2 3.87Å |
| 991 | K | 95.8 | Very high | 91 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.1 | -30.6 | 176 | -78.5 | -77.1 | 165.5 | -166.6 | 0 | 113.1 | V961 D963 N967 I968 A987 T988 E994 R995 | V961-K991 VanDerWaalsContact O-CE 3.28Å; V961-K991 WeakPolarHBondContact O-CE 3.33Å; V961-K991 PolarHBondContact O-NZ 3.09Å; D963-K991 WeakPolarHBondContact OD1-CE 3.36Å; D963-K991 IonicContact OD1-NZ 2.9Å; D963-K991 PolarHBondContact OD1-NZ 2.91Å; N967-K991 HydrophobicContact CB-CG 4.3Å; I968-K991 HydrophobicContact CB-CB 4.3Å; I968-K991 HydrophobicContact CB-CD 4.41Å; I968-K991 HydrophobicContact CB-CG 4.3Å; I968-K991 HydrophobicContact CD1-CB 4.33Å; I968-K991 HydrophobicContact CG2-CD 4.39Å; A987-K991 HydrophobicContact CB-CB 4.12Å; T988-K991 PolarHBondContact O-N 3.22Å; T988-K991 VanDerWaalsContact O-N 3.11Å; T988-K991 WeakPolarHBondContact OG1-CB 3.21Å; T988-K991 PolarHBondContact OG1-N 3.31Å; K991-E994 WeakPolarHBondContact CD-OE2 3.37Å; K991-E994 WeakPolarHBondContact CE-OE2 3.48Å; K991-E994 IonicContact NZ-OE1 3.45Å; K991-E994 PolarHBondContact NZ-OE1 2.96Å; K991-E994 IonicContact NZ-OE2 2.64Å; K991-E994 PolarHBondContact NZ-OE2 3.45Å; K991-R995 VanDerWaalsContact O-CB 3.29Å; K991-R995 WeakPolarHBondContact O-CB 3.42Å; K991-R995 WeakPolarHBondContact O-CG 3.26Å; K991-R995 PolarHBondContact O-N 3.19Å |
| 992 | L | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64 | -51.1 | 170 | -70.4 | 178.5 | 0 | 0 | 0 | 111.4 | I984 A987 T988 I989 L990 E994 R995 M996 F1010 Y1017 V1359 F1361 | I984-L992 HydrophobicContact CD1-CD2 4.15Å; I984-L992 HydrophobicContact CG2-CD2 4.21Å; A987-L992 HydrophobicContact CB-CD2 3.8Å; A987-L992 HydrophobicContact CB-CG 3.91Å; T988-L992 PolarHBondContact O-N 2.85Å; I989-L992 PolarHBondContact O-N 2.87Å; L990-L992 VanDerWaalsContact C-N 3.32Å; L990-L992 PolarHBondContact O-N 2.83Å; L992-E994 VanDerWaalsContact C-N 3.34Å; L992-E994 PolarHBondContact O-N 3.24Å; L992-R995 PolarHBondContact O-N 3.02Å; L992-M996 HydrophobicContact CB-CE 4.43Å; L992-M996 HydrophobicContact CD2-CE 4.18Å; L992-M996 VanDerWaalsContact O-CE 3.25Å; L992-M996 WeakPolarHBondContact O-CE 3.11Å; L992-M996 VanDerWaalsContact O-CG 3.29Å; L992-M996 WeakPolarHBondContact O-CG 3.44Å; L992-M996 PolarHBondContact O-N 3.4Å; L992-F1010 HydrophobicContact CB-CD2 4.29Å; L992-F1010 HydrophobicContact CB-CE2 3.85Å; L992-F1010 HydrophobicContact CD1-CD2 4.44Å; L992-F1010 HydrophobicContact CD1-CE2 4.08Å; L992-Y1017 HydrophobicContact CD1-CE2 3.94Å; L992-V1359 HydrophobicContact CD1-CB 4.04Å; L992-V1359 HydrophobicContact CD1-CG1 4.09Å; L992-V1359 HydrophobicContact CD1-CG2 4.39Å; L992-F1361 HydrophobicContact CD1-CD2 3.79Å; L992-F1361 HydrophobicContact CD1-CE2 4.39Å; L992-F1361 HydrophobicContact CD2-CB 4.01Å; L992-F1361 HydrophobicContact CD2-CD2 3.5Å; L992-F1361 HydrophobicContact CD2-CE2 4.13Å; L992-F1361 HydrophobicContact CD2-CG 3.72Å; L992-F1361 HydrophobicContact CG-CD2 4.32Å |
| 993 | I | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 179.4 | -69.7 | 174.4 | 0 | 0 | 0 | 110.8 | Y959 I989 L990 R995 M996 T997 F1010 L1023 L1026 L1027 R1030 | Y959-I993 HydrophobicContact CE1-CB 4.21Å; Y959-I993 HydrophobicContact CE1-CG2 4.04Å; I989-I993 HydrophobicContact CG2-CD1 4.19Å; I989-I993 PolarHBondContact O-N 2.98Å; L990-I993 PolarHBondContact O-N 2.96Å; I993-R995 VanDerWaalsContact C-N 3.32Å; I993-R995 PolarHBondContact O-N 2.99Å; I993-M996 PolarHBondContact O-N 3.49Å; I993-T997 WeakPolarHBondContact O-CB 3.14Å; I993-T997 PolarHBondContact O-N 3.11Å; I993-T997 PolarHBondContact O-OG1 2.83Å; I993-F1010 HydrophobicContact CG1-CZ 4.35Å; I993-L1023 HydrophobicContact CD1-CD1 3.87Å; I993-L1023 HydrophobicContact CG1-CD1 4.25Å; I993-L1026 HydrophobicContact CD1-CB 3.51Å; I993-L1026 HydrophobicContact CD1-CD1 3.64Å; I993-L1026 HydrophobicContact CD1-CG 4.24Å; I993-L1027 HydrophobicContact CG2-CD2 4.12Å; I993-R1030 HydrophobicContact CG2-CB 4.19Å; I993-R1030 HydrophobicContact CG2-CG 4.16Å |
| 994 | E | 96.3 | Very high | 90.7 | Very high | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.8 | -45.3 | 172.9 | -169.8 | -167 | 124.7 | 0 | 0 | 112 | Y959 L990 K991 L992 T997 Y998 | Y959-E994 HydrophobicContact CD1-CB 4.05Å; L990-E994 WeakPolarHBondContact O-CB 3.27Å; L990-E994 PolarHBondContact O-N 3.39Å; K991-E994 WeakPolarHBondContact CD-OE2 3.37Å; K991-E994 WeakPolarHBondContact CE-OE2 3.48Å; K991-E994 IonicContact NZ-OE1 3.45Å; K991-E994 PolarHBondContact NZ-OE1 2.96Å; K991-E994 IonicContact NZ-OE2 2.64Å; K991-E994 PolarHBondContact NZ-OE2 3.45Å; L992-E994 VanDerWaalsContact C-N 3.34Å; L992-E994 PolarHBondContact O-N 3.24Å; E994-T997 CarbonylContact O-C 3.52Å; E994-T997 PolarHBondContact O-N 3.12Å; E994-Y998 HydrophobicContact CG-CD2 4.34Å; E994-Y998 WeakPolarHBondContact O-CA 3.37Å; E994-Y998 PolarHBondContact O-N 2.94Å |
| 995 | R | 94.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80.5 | -27.9 | -177.7 | -67.1 | -79.9 | 175.2 | -169.1 | -7.9 | 113.5 | D963 I968 I984 K991 L992 I993 T997 Y998 Y1001 | D963-R995 IonicContact OD1-NH2 3.39Å; D963-R995 PolarHBondContact OD1-NH2 2.9Å; D963-R995 IonicContact OD2-CZ 3.19Å; D963-R995 IonicContact OD2-NE 3.58Å; D963-R995 IonicContact OD2-NH2 2.72Å; D963-R995 PolarHBondContact OD2-NH2 3Å; I968-R995 HydrophobicContact CD1-CG 3.88Å; I984-R995 HydrophobicContact CD1-CB 3.62Å; I984-R995 HydrophobicContact CD1-CG 4.08Å; K991-R995 VanDerWaalsContact O-CB 3.29Å; K991-R995 WeakPolarHBondContact O-CB 3.42Å; K991-R995 WeakPolarHBondContact O-CG 3.26Å; K991-R995 PolarHBondContact O-N 3.19Å; L992-R995 PolarHBondContact O-N 3.02Å; I993-R995 VanDerWaalsContact C-N 3.32Å; I993-R995 PolarHBondContact O-N 2.99Å; R995-T997 PolarHBondContact O-N 3.32Å; R995-Y998 PolarHBondContact NH1-OH 3.3Å; R995-Y998 PolarHBondContact NH2-OH 3.47Å; R995-Y1001 VanDerWaalsContact CD-OH 3.25Å; R995-Y1001 WeakPolarHBondContact CD-OH 3.33Å; R995-Y1001 PolarHBondContact NH1-OH 3.02Å |
| 996 | M | 93.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.02 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.8 | -27.7 | 167.2 | -62.3 | -36.7 | 112.2 | 0 | 0 | 111.7 | I984 L992 I993 F1002 T1006 F1010 F1081 F1361 | I984-M996 HydrophobicContact CD1-CE 3.99Å; L992-M996 HydrophobicContact CB-CE 4.43Å; L992-M996 HydrophobicContact CD2-CE 4.18Å; L992-M996 VanDerWaalsContact O-CE 3.25Å; L992-M996 WeakPolarHBondContact O-CE 3.11Å; L992-M996 VanDerWaalsContact O-CG 3.29Å; L992-M996 WeakPolarHBondContact O-CG 3.44Å; L992-M996 PolarHBondContact O-N 3.4Å; I993-M996 PolarHBondContact O-N 3.49Å; M996-F1002 WeakPolarHBondContact O-CD2 3.5Å; M996-F1002 WeakPolarHBondContact O-CE2 3.22Å; M996-T1006 HydrophobicContact CE-CG2 3.56Å; M996-T1006 HydrophobicContact SD-CG2 3.65Å; M996-F1010 HydrophobicContact CE-CD2 4.42Å; M996-F1010 HydrophobicContact CG-CB 4.27Å; M996-F1010 HydrophobicContact CG-CD2 4.05Å; M996-F1010 HydrophobicContact CG-CG 4.09Å; M996-F1010 HydrophobicContact SD-CB 4.06Å; M996-F1010 HydrophobicContact SD-CD2 4.41Å; M996-F1010 HydrophobicContact SD-CG 4.44Å; M996-F1081 HydrophobicContact CB-CD2 4.14Å; M996-F1081 HydrophobicContact CB-CE2 4.12Å; M996-F1081 HydrophobicContact CG-CE2 4.21Å; M996-F1361 HydrophobicContact CE-CZ 4.45Å |
| 997 | T | 93 | Very high | 90 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | 40.6 | -178.2 | 63.9 | 0 | 0 | 0 | 0 | 110.8 | I993 E994 R995 L1027 R1030 V1078 F1081 | I993-T997 WeakPolarHBondContact O-CB 3.14Å; I993-T997 PolarHBondContact O-N 3.11Å; I993-T997 PolarHBondContact O-OG1 2.83Å; E994-T997 CarbonylContact O-C 3.52Å; E994-T997 PolarHBondContact O-N 3.12Å; R995-T997 PolarHBondContact O-N 3.32Å; T997-L1027 HydrophobicContact CG2-CD2 4.31Å; T997-R1030 PolarHBondContact O-NH2 3.28Å; T997-R1030 WeakPolarHBondContact OG1-CG 3.38Å; T997-R1030 PolarHBondContact OG1-NE 3Å; T997-V1078 HydrophobicContact CG2-CB 4.47Å; T997-V1078 HydrophobicContact CG2-CG2 3.77Å; T997-F1081 HydrophobicContact CG2-CD2 4.45Å |
| 998 | Y | 91.6 | Very high | 89.8 | Confident | 26 Ų | 26 | 35.7 Ų | 35.7 | 10% | 0.102 | 17% | 0.172 | C | C | . | . | trans | -71 | 164.6 | -175.3 | -155.1 | -124.1 | 0 | 0 | 0 | 111.3 | E994 R995 E1000 Y1001 R1077 | E994-Y998 HydrophobicContact CG-CD2 4.34Å; E994-Y998 WeakPolarHBondContact O-CA 3.37Å; E994-Y998 PolarHBondContact O-N 2.94Å; R995-Y998 PolarHBondContact NH1-OH 3.3Å; R995-Y998 PolarHBondContact NH2-OH 3.47Å; Y998-E1000 HydrophobicContact CD1-CB 3.97Å; Y998-E1000 HydrophobicContact CE1-CB 3.97Å; Y998-E1000 VanDerWaalsContact CE1-CD 3.43Å; Y998-E1000 HydrophobicContact CE1-CG 4.06Å; Y998-E1000 VanDerWaalsContact CE1-OE1 3.28Å; Y998-E1000 WeakPolarHBondContact CE1-OE1 3.14Å; Y998-E1000 PolarHBondContact OH-OE1 2.87Å; Y998-Y1001 AromaticContact CD1-CD1 3.78Å; Y998-Y1001 HydrophobicContact CD1-CD1 3.78Å; Y998-Y1001 AromaticContact CD1-CE1 3.41Å; Y998-Y1001 HydrophobicContact CD1-CE1 3.41Å; Y998-Y1001 VanDerWaalsContact CD1-CE1 3.41Å; Y998-Y1001 HydrophobicContact CD1-CE2 4.33Å; Y998-Y1001 HydrophobicContact CD1-CG 4.39Å; Y998-Y1001 AromaticContact CD1-CZ 3.73Å; Y998-Y1001 HydrophobicContact CE1-CD1 4.24Å; Y998-Y1001 AromaticContact CE1-CE1 3.68Å; Y998-Y1001 HydrophobicContact CE1-CE1 3.68Å; Y998-Y1001 HydrophobicContact CG-CE1 4.39Å; Y998-R1077 WeakPolarHBondContact O-CD 3.48Å; Y998-R1077 PolarHBondContact O-NH1 3.12Å | ||
| 999 | H | 83.3 | Confident | 89.7 | Confident | 21 Ų | 21 | 34.2 Ų | 34.2 | 10% | 0.097 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -94.9 | -38.5 | -174 | 74.5 | -64 | 0 | 0 | 0 | 112.7 | Y1070 R1073 V1074 R1077 | H999-Y1070 HydrophobicContact CB-CD2 3.78Å; H999-Y1070 HydrophobicContact CB-CE2 4.18Å; H999-Y1070 HydrophobicContact CB-CG 4.39Å; H999-Y1070 AromaticContact CD2-CD2 3.61Å; H999-Y1070 AromaticContact CG-CD2 3.54Å; H999-Y1070 AromaticContact CG-CE2 3.9Å; H999-Y1070 AromaticContact ND1-CE2 3.97Å; H999-R1073 WeakPolarHBondContact O-CD 3.49Å; H999-R1073 PolarHBondContact O-NH1 3.17Å; H999-V1074 HydrophobicContact CB-CG2 3.95Å; H999-R1077 PolarHBondContact O-NH1 2.84Å |
| 1000 | E | 79.9 | Confident | 89.7 | Confident | 98 Ų | 98 | 32.5 Ų | 32.5 | 46% | 0.458 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -65.5 | -77.2 | 170.8 | -66 | 152.8 | -132 | 0 | 0 | 110.8 | Y998 R1073 R1077 | Y998-E1000 HydrophobicContact CD1-CB 3.97Å; Y998-E1000 HydrophobicContact CE1-CB 3.97Å; Y998-E1000 VanDerWaalsContact CE1-CD 3.43Å; Y998-E1000 HydrophobicContact CE1-CG 4.06Å; Y998-E1000 VanDerWaalsContact CE1-OE1 3.28Å; Y998-E1000 WeakPolarHBondContact CE1-OE1 3.14Å; Y998-E1000 PolarHBondContact OH-OE1 2.87Å; E1000-R1073 PolarHBondContact O-NH1 3.48Å; E1000-R1077 VanDerWaalsContact C-NH1 3.26Å; E1000-R1077 PolarHBondContact O-NH1 2.96Å; E1000-R1077 PolarHBondContact O-NH2 3.13Å |
| 1001 | Y | 79.8 | Confident | 89.6 | Confident | 31 Ų | 31 | 30.4 Ų | 30.4 | 12% | 0.122 | 14% | 0.144 | C | C | . | . | trans | -106.2 | 167 | -173.5 | 60.3 | -96.1 | 0 | 0 | 0 | 114.2 | I981 P982 R995 Y998 R1077 | I981-Y1001 HydrophobicContact CB-CD2 4.36Å; I981-Y1001 HydrophobicContact CD1-CD2 4.21Å; I981-Y1001 HydrophobicContact CD1-CG 4.42Å; I981-Y1001 HydrophobicContact CG1-CD2 4.05Å; I981-Y1001 HydrophobicContact CG1-CG 4.01Å; I981-Y1001 HydrophobicContact CG2-CD2 3.5Å; I981-Y1001 HydrophobicContact CG2-CE2 3.47Å; I981-Y1001 VanDerWaalsContact CG2-CE2 3.47Å; I981-Y1001 HydrophobicContact CG2-CG 4.15Å; P982-Y1001 HydrophobicContact CG-CE1 4.18Å; R995-Y1001 VanDerWaalsContact CD-OH 3.25Å; R995-Y1001 WeakPolarHBondContact CD-OH 3.33Å; R995-Y1001 PolarHBondContact NH1-OH 3.02Å; Y998-Y1001 AromaticContact CD1-CD1 3.78Å; Y998-Y1001 HydrophobicContact CD1-CD1 3.78Å; Y998-Y1001 AromaticContact CD1-CE1 3.41Å; Y998-Y1001 HydrophobicContact CD1-CE1 3.41Å; Y998-Y1001 VanDerWaalsContact CD1-CE1 3.41Å; Y998-Y1001 HydrophobicContact CD1-CE2 4.33Å; Y998-Y1001 HydrophobicContact CD1-CG 4.39Å; Y998-Y1001 AromaticContact CD1-CZ 3.73Å; Y998-Y1001 HydrophobicContact CE1-CD1 4.24Å; Y998-Y1001 AromaticContact CE1-CE1 3.68Å; Y998-Y1001 HydrophobicContact CE1-CE1 3.68Å; Y998-Y1001 HydrophobicContact CG-CE1 4.39Å; Y1001-R1077 PolarHBondContact O-NH1 2.77Å | ||
| 1002 | F | 77.6 | Confident | 89.4 | Confident | 45 Ų | 45 | 31.1 Ų | 31.1 | 20% | 0.197 | 15% | 0.148 | C | C | . | . | trans | -136.9 | 114 | 173.2 | -178.2 | -107 | 0 | 0 | 0 | 111.4 | M996 L1007 R1077 N1080 | M996-F1002 WeakPolarHBondContact O-CD2 3.5Å; M996-F1002 WeakPolarHBondContact O-CE2 3.22Å; F1002-L1007 HydrophobicContact CE1-CD2 4.39Å; F1002-L1007 HydrophobicContact CE2-CD2 4.06Å; F1002-L1007 HydrophobicContact CZ-CD2 3.53Å; F1002-R1077 HydrophobicContact CB-CG 4.46Å; F1002-R1077 HydrophobicContact CD2-CB 4.03Å; F1002-R1077 HydrophobicContact CD2-CG 3.75Å; F1002-R1077 HydrophobicContact CE2-CB 4.15Å; F1002-R1077 HydrophobicContact CE2-CG 4.23Å; F1002-R1077 HydrophobicContact CG-CG 4.26Å; F1002-N1080 HydrophobicContact CZ-CB 4.36Å | ||
| 1003 | D | 80.1 | Confident | 89.2 | Confident | 41 Ų | 41 | 31.4 Ų | 31.4 | 22% | 0.219 | 15% | 0.15 | C | C | . | . | trans | -98 | 105.9 | 178.4 | -175.9 | 5 | 0 | 0 | 0 | 112.5 | I981 K1005 T1006 L1007 | I981-D1003 HydrophobicContact CD1-CB 4.28Å; I981-D1003 HydrophobicContact CG2-CB 4.32Å; D1003-K1005 VanDerWaalsContact C-N 3.27Å; D1003-K1005 PolarHBondContact O-N 3.04Å; D1003-K1005 WeakPolarHBondContact OD1-CA 3.29Å; D1003-K1005 WeakPolarHBondContact OD1-CB 3.45Å; D1003-K1005 PolarHBondContact OD1-N 2.69Å; D1003-T1006 PolarHBondContact OD1-N 3.35Å; D1003-T1006 WeakPolarHBondContact OD2-CB 3.36Å; D1003-T1006 PolarHBondContact OD2-N 2.99Å; D1003-T1006 PolarHBondContact OD2-OG1 2.93Å; D1003-L1007 WeakPolarHBondContact O-CB 3.37Å; D1003-L1007 PolarHBondContact O-N 3.35Å; D1003-L1007 VanDerWaalsContact O-N 3.08Å | ||
| 1004 | N | 83.4 | Confident | 89 | Confident | 94 Ų | 94 | 31.4 Ų | 31.4 | 50% | 0.503 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69.1 | -21.5 | 178.8 | -156.2 | 7.1 | 0 | 0 | 0 | 113.2 | N1008 K1084 | N1004-N1008 PolarHBondContact O-N 3.35Å; N1004-K1084 PolarHBondContact O-NZ 3.38Å; N1004-K1084 WeakPolarHBondContact OD1-CE 3.41Å; N1004-K1084 PolarHBondContact OD1-NZ 3.48Å |
| 1005 | K | 85.3 | Confident | 88.7 | Confident | 173 Ų | 173 | 34.4 Ų | 34.4 | 75% | 0.752 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -80 | -51.3 | 176 | -66.4 | -173.5 | 174.3 | -170.1 | 0 | 111.8 | D1003 L1007 N1008 A1009 | D1003-K1005 VanDerWaalsContact C-N 3.27Å; D1003-K1005 PolarHBondContact O-N 3.04Å; D1003-K1005 WeakPolarHBondContact OD1-CA 3.29Å; D1003-K1005 WeakPolarHBondContact OD1-CB 3.45Å; D1003-K1005 PolarHBondContact OD1-N 2.69Å; K1005-L1007 PolarHBondContact O-N 3.25Å; K1005-N1008 WeakPolarHBondContact O-CA 3.48Å; K1005-N1008 VanDerWaalsContact O-CB 3.31Å; K1005-N1008 WeakPolarHBondContact O-CB 3.25Å; K1005-N1008 PolarHBondContact O-N 3.29Å; K1005-A1009 PolarHBondContact O-N 3.38Å |
| 1006 | T | 90.3 | Very high | 88.4 | Confident | 21 Ų | 21 | 35.7 Ų | 35.7 | 13% | 0.129 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.7 | -34.8 | 174.7 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | M996 D1003 A1009 F1010 F1361 | M996-T1006 HydrophobicContact CE-CG2 3.56Å; M996-T1006 HydrophobicContact SD-CG2 3.65Å; D1003-T1006 PolarHBondContact OD1-N 3.35Å; D1003-T1006 WeakPolarHBondContact OD2-CB 3.36Å; D1003-T1006 PolarHBondContact OD2-N 2.99Å; D1003-T1006 PolarHBondContact OD2-OG1 2.93Å; T1006-A1009 PolarHBondContact O-N 3.47Å; T1006-F1010 PolarHBondContact O-N 3.06Å; T1006-F1361 HydrophobicContact CG2-CD1 4.45Å; T1006-F1361 HydrophobicContact CG2-CE1 3.55Å; T1006-F1361 HydrophobicContact CG2-CZ 3.96Å |
| 1007 | L | 92.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -35.4 | 169.4 | 177.6 | 59.5 | 0 | 0 | 0 | 114.2 | F1002 D1003 K1005 L1011 F1081 K1084 | F1002-L1007 HydrophobicContact CE1-CD2 4.39Å; F1002-L1007 HydrophobicContact CE2-CD2 4.06Å; F1002-L1007 HydrophobicContact CZ-CD2 3.53Å; D1003-L1007 WeakPolarHBondContact O-CB 3.37Å; D1003-L1007 PolarHBondContact O-N 3.35Å; D1003-L1007 VanDerWaalsContact O-N 3.08Å; K1005-L1007 PolarHBondContact O-N 3.25Å; L1007-L1011 HydrophobicContact CD1-CD1 4.06Å; L1007-L1011 HydrophobicContact CD1-CG 4.15Å; L1007-L1011 HydrophobicContact CG-CD1 4.19Å; L1007-L1011 WeakPolarHBondContact O-CB 3.34Å; L1007-L1011 WeakPolarHBondContact O-CG 3.42Å; L1007-L1011 PolarHBondContact O-N 3.05Å; L1007-F1081 HydrophobicContact CD1-CB 4.48Å; L1007-F1081 HydrophobicContact CD1-CD2 3.22Å; L1007-F1081 HydrophobicContact CD1-CE2 3.39Å; L1007-F1081 HydrophobicContact CD1-CG 3.83Å; L1007-F1081 HydrophobicContact CD1-CZ 4.13Å; L1007-K1084 HydrophobicContact CD2-CD 3.6Å; L1007-K1084 HydrophobicContact CG-CD 3.95Å |
| 1008 | N | 91.1 | Very high | 88.3 | Confident | 42 Ų | 42 | 37.3 Ų | 37.3 | 23% | 0.225 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.7 | -51.1 | 170.2 | -102.8 | 14.2 | 0 | 0 | 0 | 110.2 | N1004 K1005 F1010 L1011 L1012 K1084 E1372 | N1004-N1008 PolarHBondContact O-N 3.35Å; K1005-N1008 WeakPolarHBondContact O-CA 3.48Å; K1005-N1008 VanDerWaalsContact O-CB 3.31Å; K1005-N1008 WeakPolarHBondContact O-CB 3.25Å; K1005-N1008 PolarHBondContact O-N 3.29Å; N1008-F1010 VanDerWaalsContact C-N 3.26Å; N1008-F1010 PolarHBondContact O-N 2.99Å; N1008-L1011 PolarHBondContact O-N 3.19Å; N1008-L1012 WeakPolarHBondContact O-CD1 3.42Å; N1008-L1012 PolarHBondContact O-N 2.84Å; N1008-K1084 WeakPolarHBondContact OD1-CE 3.48Å; N1008-K1084 PolarHBondContact OD1-NZ 2.95Å; N1008-E1372 WeakPolarHBondContact CB-OE1 3.17Å; N1008-E1372 PolarHBondContact ND2-OE1 2.97Å |
| 1009 | A | 92.6 | Very high | 88.4 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.1 | -40.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1005 T1006 T1013 F1361 R1365 A1368 | K1005-A1009 PolarHBondContact O-N 3.38Å; T1006-A1009 PolarHBondContact O-N 3.47Å; A1009-T1013 WeakPolarHBondContact O-CB 3.2Å; A1009-T1013 WeakPolarHBondContact O-CG2 3.41Å; A1009-T1013 PolarHBondContact O-N 2.98Å; A1009-T1013 VanDerWaalsContact O-N 3.12Å; A1009-T1013 PolarHBondContact O-OG1 3.27Å; A1009-F1361 HydrophobicContact CB-CE1 4.33Å; A1009-F1361 HydrophobicContact CB-CZ 4.08Å; A1009-R1365 HydrophobicContact CB-CB 4.49Å; A1009-R1365 HydrophobicContact CB-CG 4.41Å; A1009-A1368 HydrophobicContact CB-CB 3.75Å |
| 1010 | F | 95 | Very high | 89 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -50.9 | 172.6 | -168.9 | -79.2 | 0 | 0 | 0 | 111.6 | L992 I993 M996 T1006 N1008 L1012 T1013 Y1014 Y1017 L1023 F1081 F1361 | L992-F1010 HydrophobicContact CB-CD2 4.29Å; L992-F1010 HydrophobicContact CB-CE2 3.85Å; L992-F1010 HydrophobicContact CD1-CD2 4.44Å; L992-F1010 HydrophobicContact CD1-CE2 4.08Å; I993-F1010 HydrophobicContact CG1-CZ 4.35Å; M996-F1010 HydrophobicContact CE-CD2 4.42Å; M996-F1010 HydrophobicContact CG-CB 4.27Å; M996-F1010 HydrophobicContact CG-CD2 4.05Å; M996-F1010 HydrophobicContact CG-CG 4.09Å; M996-F1010 HydrophobicContact SD-CB 4.06Å; M996-F1010 HydrophobicContact SD-CD2 4.41Å; M996-F1010 HydrophobicContact SD-CG 4.44Å; T1006-F1010 PolarHBondContact O-N 3.06Å; N1008-F1010 VanDerWaalsContact C-N 3.26Å; N1008-F1010 PolarHBondContact O-N 2.99Å; F1010-L1012 VanDerWaalsContact C-N 3.32Å; F1010-L1012 PolarHBondContact O-N 3.38Å; F1010-T1013 PolarHBondContact O-N 3.47Å; F1010-Y1014 HydrophobicContact CD1-CD1 4.49Å; F1010-Y1014 VanDerWaalsContact CE1-CB 3.47Å; F1010-Y1014 HydrophobicContact CE1-CD1 4.38Å; F1010-Y1014 HydrophobicContact CE1-CG 4.07Å; F1010-Y1014 WeakPolarHBondContact O-CB 3.24Å; F1010-Y1014 PolarHBondContact O-N 2.88Å; F1010-Y1017 WeakPolarHBondContact CD2-OH 3.32Å; F1010-Y1017 HydrophobicContact CE2-CE2 4Å; F1010-Y1017 HydrophobicContact CZ-CE2 4.33Å; F1010-L1023 HydrophobicContact CE1-CD1 3.67Å; F1010-L1023 HydrophobicContact CE1-CD2 3.97Å; F1010-L1023 HydrophobicContact CZ-CD1 3.89Å; F1010-F1081 AromaticContact CD1-CE2 3.95Å; F1010-F1081 HydrophobicContact CD1-CE2 3.95Å; F1010-F1081 AromaticContact CD1-CZ 3.67Å; F1010-F1081 HydrophobicContact CD1-CZ 3.67Å; F1010-F1081 HydrophobicContact CE1-CE2 4.16Å; F1010-F1081 AromaticContact CE1-CZ 3.7Å; F1010-F1081 HydrophobicContact CE1-CZ 3.7Å; F1010-F1361 HydrophobicContact CB-CE2 4.15Å; F1010-F1361 HydrophobicContact CB-CZ 4.12Å; F1010-F1361 AromaticContact CD2-CE2 3.89Å; F1010-F1361 HydrophobicContact CD2-CE2 3.89Å; F1010-F1361 HydrophobicContact CG-CE2 4.48Å |
| 1011 | L | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65 | -29.1 | -178.6 | -73.6 | 171.8 | 0 | 0 | 0 | 114.2 | L1007 N1008 R1015 F1081 K1084 W1085 Y1091 | L1007-L1011 HydrophobicContact CD1-CD1 4.06Å; L1007-L1011 HydrophobicContact CD1-CG 4.15Å; L1007-L1011 HydrophobicContact CG-CD1 4.19Å; L1007-L1011 WeakPolarHBondContact O-CB 3.34Å; L1007-L1011 WeakPolarHBondContact O-CG 3.42Å; L1007-L1011 PolarHBondContact O-N 3.05Å; N1008-L1011 PolarHBondContact O-N 3.19Å; L1011-R1015 PolarHBondContact O-NH1 2.89Å; L1011-R1015 PolarHBondContact O-NH2 3.1Å; L1011-R1015 VanDerWaalsContact O-NH2 3.13Å; L1011-F1081 HydrophobicContact CD2-CD1 4.4Å; L1011-F1081 HydrophobicContact CD2-CE1 3.64Å; L1011-F1081 HydrophobicContact CD2-CZ 3.91Å; L1011-F1081 HydrophobicContact CG-CZ 4.49Å; L1011-K1084 HydrophobicContact CD1-CB 4.35Å; L1011-K1084 HydrophobicContact CD1-CD 4Å; L1011-K1084 HydrophobicContact CD1-CG 4.04Å; L1011-W1085 HydrophobicContact CD2-CB 4.01Å; L1011-W1085 HydrophobicContact CD2-CG 3.93Å; L1011-Y1091 HydrophobicContact CB-CD2 4.27Å; L1011-Y1091 HydrophobicContact CB-CE1 4.09Å; L1011-Y1091 HydrophobicContact CB-CE2 3.71Å; L1011-Y1091 HydrophobicContact CD1-CD2 4.22Å; L1011-Y1091 HydrophobicContact CD1-CE2 3.77Å; L1011-Y1091 HydrophobicContact CG-CE2 4.3Å |
| 1012 | L | 91 | Very high | 90.5 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.3 | -42.5 | 168.3 | -85.9 | 92.1 | 0 | 0 | 0 | 111.8 | N1008 F1010 R1015 Y1091 F1186 A1368 V1371 E1372 | N1008-L1012 WeakPolarHBondContact O-CD1 3.42Å; N1008-L1012 PolarHBondContact O-N 2.84Å; F1010-L1012 VanDerWaalsContact C-N 3.32Å; F1010-L1012 PolarHBondContact O-N 3.38Å; L1012-R1015 PolarHBondContact O-NH1 3.21Å; L1012-Y1091 HydrophobicContact CD1-CE1 4.48Å; L1012-Y1091 WeakPolarHBondContact CD1-OH 3.43Å; L1012-F1186 HydrophobicContact CB-CD2 4.2Å; L1012-F1186 HydrophobicContact CB-CE2 4.36Å; L1012-F1186 HydrophobicContact CD2-CB 4.17Å; L1012-F1186 HydrophobicContact CD2-CD2 4Å; L1012-F1186 HydrophobicContact CD2-CG 4.26Å; L1012-F1186 HydrophobicContact CG-CD2 3.78Å; L1012-F1186 HydrophobicContact CG-CE2 4.26Å; L1012-F1186 HydrophobicContact CG-CG 4.22Å; L1012-A1368 HydrophobicContact CB-CB 4.2Å; L1012-A1368 HydrophobicContact CD2-CB 4.28Å; L1012-V1371 HydrophobicContact CD2-CB 4.08Å; L1012-V1371 HydrophobicContact CD2-CG1 3.88Å; L1012-E1372 HydrophobicContact CD1-CG 4.43Å; L1012-E1372 HydrophobicContact CD2-CG 4.38Å |
| 1013 | T | 91.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -109.2 | -10.9 | -161.7 | 64.3 | 0 | 0 | 0 | 0 | 117.5 | A1009 F1010 R1015 R1016 C1364 A1368 | A1009-T1013 WeakPolarHBondContact O-CB 3.2Å; A1009-T1013 WeakPolarHBondContact O-CG2 3.41Å; A1009-T1013 PolarHBondContact O-N 2.98Å; A1009-T1013 VanDerWaalsContact O-N 3.12Å; A1009-T1013 PolarHBondContact O-OG1 3.27Å; F1010-T1013 PolarHBondContact O-N 3.47Å; T1013-R1015 PolarHBondContact O-N 3.17Å; T1013-R1016 VanDerWaalsContact O-CB 3.3Å; T1013-R1016 WeakPolarHBondContact O-CB 3.19Å; T1013-R1016 VanDerWaalsContact O-CG 3.23Å; T1013-R1016 WeakPolarHBondContact O-CG 3.07Å; T1013-R1016 PolarHBondContact O-N 2.96Å; T1013-C1364 HydrophobicContact CG2-CB 4.1Å; T1013-C1364 WeakPolarHBondContact CG2-O 3.34Å; T1013-C1364 WeakPolarHBondContact OG1-CB 3.47Å; T1013-A1368 HydrophobicContact CG2-CB 4.36Å |
| 1014 | Y | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -56.3 | -33.5 | -169.5 | 77 | -97.3 | 0 | 0 | 0 | 114.6 | F1010 R1016 Y1017 I1018 S1020 L1023 W1085 D1095 | F1010-Y1014 HydrophobicContact CD1-CD1 4.49Å; F1010-Y1014 VanDerWaalsContact CE1-CB 3.47Å; F1010-Y1014 HydrophobicContact CE1-CD1 4.38Å; F1010-Y1014 HydrophobicContact CE1-CG 4.07Å; F1010-Y1014 WeakPolarHBondContact O-CB 3.24Å; F1010-Y1014 PolarHBondContact O-N 2.88Å; Y1014-R1016 PolarHBondContact O-N 2.87Å; Y1014-Y1017 PolarHBondContact O-N 3.43Å; Y1014-I1018 HydrophobicContact CD2-CG2 3.91Å; Y1014-I1018 WeakPolarHBondContact CD2-O 3.32Å; Y1014-I1018 HydrophobicContact CG-CG2 4.47Å; Y1014-I1018 PolarHBondContact O-N 2.67Å; Y1014-S1020 PolarHBondContact OH-OG 3.05Å; Y1014-S1020 VanDerWaalsContact OH-OG 3.08Å; Y1014-L1023 HydrophobicContact CD1-CD2 3.94Å; Y1014-L1023 HydrophobicContact CD2-CD2 3.73Å; Y1014-L1023 HydrophobicContact CE1-CD2 3.91Å; Y1014-L1023 HydrophobicContact CE2-CD2 3.72Å; Y1014-L1023 HydrophobicContact CG-CD2 3.85Å; Y1014-W1085 WeakPolarHBondContact OH-CZ2 3.15Å; Y1014-D1095 PolarHBondContact OH-OD1 3.35Å; Y1014-D1095 PolarHBondContact OH-OD2 3.26Å |
| 1015 | R | 90.5 | Very high | 93 | Very high | 72 Ų | 72 | 35.4 Ų | 35.4 | 27% | 0.272 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -58.4 | -10.3 | 178.8 | -57.9 | 168.2 | -157.3 | 77.9 | 5.6 | 114 | L1011 L1012 T1013 I1018 D1095 | L1011-R1015 PolarHBondContact O-NH1 2.89Å; L1011-R1015 PolarHBondContact O-NH2 3.1Å; L1011-R1015 VanDerWaalsContact O-NH2 3.13Å; L1012-R1015 PolarHBondContact O-NH1 3.21Å; T1013-R1015 PolarHBondContact O-N 3.17Å; R1015-I1018 WeakPolarHBondContact CA-O 3.27Å; R1015-D1095 IonicContact CZ-OD1 3.77Å; R1015-D1095 IonicContact CZ-OD2 2.79Å; R1015-D1095 IonicContact NE-OD1 2.71Å; R1015-D1095 PolarHBondContact NE-OD1 3.41Å; R1015-D1095 IonicContact NE-OD2 2.64Å; R1015-D1095 IonicContact NH2-OD1 2.7Å; R1015-D1095 PolarHBondContact NH2-OD1 3.11Å; R1015-D1095 IonicContact NH2-OD2 3.19Å; R1015-D1095 PolarHBondContact NH2-OD2 3.4Å |
| 1016 | R | 87 | Confident | 93.6 | Very high | 49 Ų | 49 | 28.4 Ų | 28.4 | 19% | 0.185 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -82.4 | -12 | 175.2 | -56 | 170.4 | 81.8 | -84.4 | -13.9 | 112.6 | T1013 Y1014 E1330 D1335 | T1013-R1016 VanDerWaalsContact O-CB 3.3Å; T1013-R1016 WeakPolarHBondContact O-CB 3.19Å; T1013-R1016 VanDerWaalsContact O-CG 3.23Å; T1013-R1016 WeakPolarHBondContact O-CG 3.07Å; T1013-R1016 PolarHBondContact O-N 2.96Å; Y1014-R1016 PolarHBondContact O-N 2.87Å; R1016-E1330 IonicContact CZ-OE1 2.96Å; R1016-E1330 IonicContact CZ-OE2 3.07Å; R1016-E1330 IonicContact NE-OE1 2.76Å; R1016-E1330 IonicContact NH2-OE1 2.63Å; R1016-E1330 PolarHBondContact NH2-OE1 2.72Å; R1016-E1330 IonicContact NH2-OE2 3.35Å; R1016-E1330 PolarHBondContact NH2-OE2 3.05Å; R1016-D1335 IonicContact CZ-OD1 3.79Å; R1016-D1335 VanDerWaalsContact CZ-OD1 3.22Å; R1016-D1335 IonicContact CZ-OD2 2.71Å; R1016-D1335 VanDerWaalsContact NH1-CG 3.3Å; R1016-D1335 IonicContact NH1-OD1 4Å; R1016-D1335 PolarHBondContact NH1-OD1 2.96Å; R1016-D1335 IonicContact NH1-OD2 2.62Å; R1016-D1335 VanDerWaalsContact NH2-CG 3.26Å; R1016-D1335 IonicContact NH2-OD1 3.43Å; R1016-D1335 PolarHBondContact NH2-OD1 3.26Å; R1016-D1335 IonicContact NH2-OD2 3.45Å; R1016-D1335 PolarHBondContact NH2-OD2 3.47Å |
| 1017 | Y | 90.9 | Very high | 94 | Very high | 23 Ų | 23 | 27.4 Ų | 27.4 | 9% | 0.09 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148.9 | -8.8 | -176.6 | 50.3 | -95 | 0 | 0 | 0 | 116.2 | I989 L992 F1010 Y1014 V1359 | I989-Y1017 HydrophobicContact CG1-CD2 4.2Å; L992-Y1017 HydrophobicContact CD1-CE2 3.94Å; F1010-Y1017 WeakPolarHBondContact CD2-OH 3.32Å; F1010-Y1017 HydrophobicContact CE2-CE2 4Å; F1010-Y1017 HydrophobicContact CZ-CE2 4.33Å; Y1014-Y1017 PolarHBondContact O-N 3.43Å; Y1017-V1359 HydrophobicContact CD1-CG1 3.51Å; Y1017-V1359 HydrophobicContact CD1-CG2 4.5Å; Y1017-V1359 HydrophobicContact CD2-CG1 4.08Å; Y1017-V1359 HydrophobicContact CD2-CG2 3.87Å; Y1017-V1359 HydrophobicContact CE1-CG1 3.6Å; Y1017-V1359 HydrophobicContact CE2-CG1 4.13Å; Y1017-V1359 HydrophobicContact CE2-CG2 4.44Å; Y1017-V1359 HydrophobicContact CG-CG1 3.76Å; Y1017-V1359 HydrophobicContact CG-CG2 3.89Å |
| 1018 | I | 93.5 | Very high | 94.3 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -150.5 | 147.7 | 172 | -174.8 | 163.6 | 0 | 0 | 0 | 111.1 | I989 Y1014 R1015 E1022 L1023 L1026 | I989-I1018 HydrophobicContact CD1-CB 4.34Å; I989-I1018 HydrophobicContact CG2-CD1 3.77Å; Y1014-I1018 HydrophobicContact CD2-CG2 3.91Å; Y1014-I1018 WeakPolarHBondContact CD2-O 3.32Å; Y1014-I1018 HydrophobicContact CG-CG2 4.47Å; Y1014-I1018 PolarHBondContact O-N 2.67Å; R1015-I1018 WeakPolarHBondContact CA-O 3.27Å; I1018-E1022 HydrophobicContact CD1-CB 3.74Å; I1018-E1022 HydrophobicContact CG1-CB 3.59Å; I1018-L1023 HydrophobicContact CD1-CB 4.48Å; I1018-L1026 HydrophobicContact CD1-CD1 3.54Å |
| 1019 | T | 94.4 | Very high | 94.5 | Very high | 75 Ų | 75 | 28.7 Ų | 28.7 | 46% | 0.46 | 14% | 0.143 | S | C | . | . | trans | -79.8 | 162.5 | 175.4 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | L1021 E1022 L1023 | T1019-L1021 VanDerWaalsContact C-N 3.29Å; T1019-L1021 PolarHBondContact O-N 3.24Å; T1019-E1022 VanDerWaalsContact CB-OE2 3.25Å; T1019-E1022 WeakPolarHBondContact CB-OE2 3.48Å; T1019-E1022 VanDerWaalsContact CG2-OE2 3.3Å; T1019-E1022 WeakPolarHBondContact CG2-OE2 3.26Å; T1019-E1022 PolarHBondContact N-OE2 2.84Å; T1019-E1022 VanDerWaalsContact OG1-CG 3.26Å; T1019-E1022 WeakPolarHBondContact OG1-CG 3.48Å; T1019-E1022 PolarHBondContact OG1-N 2.8Å; T1019-E1022 PolarHBondContact OG1-OE2 3.3Å; T1019-L1023 WeakPolarHBondContact O-CB 3.37Å; T1019-L1023 PolarHBondContact O-N 2.86Å | ||
| 1020 | S | 95.2 | Very high | 94.7 | Very high | 23 Ų | 23 | 28.5 Ų | 28.5 | 16% | 0.161 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.4 | -36.7 | 178.5 | -45.1 | 0 | 0 | 0 | 0 | 113 | Y1014 L1024 W1085 L1102 | Y1014-S1020 PolarHBondContact OH-OG 3.05Å; Y1014-S1020 VanDerWaalsContact OH-OG 3.08Å; S1020-L1024 PolarHBondContact O-N 2.81Å; S1020-L1024 VanDerWaalsContact O-N 3.14Å; S1020-W1085 WeakPolarHBondContact O-CH2 3.45Å; S1020-L1102 WeakPolarHBondContact O-CD1 3.22Å |
| 1021 | L | 95.9 | Very high | 94.8 | Very high | 56 Ų | 56 | 29 Ų | 29 | 29% | 0.293 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -73.8 | -46.7 | -179.1 | -171.2 | 64.8 | 0 | 0 | 0 | 111.7 | T1019 L1023 L1024 D1025 L1102 R1105 | T1019-L1021 VanDerWaalsContact C-N 3.29Å; T1019-L1021 PolarHBondContact O-N 3.24Å; L1021-L1023 VanDerWaalsContact C-N 3.29Å; L1021-L1023 PolarHBondContact O-N 2.79Å; L1021-L1024 WeakPolarHBondContact O-CB 3.43Å; L1021-L1024 PolarHBondContact O-N 3.2Å; L1021-L1024 VanDerWaalsContact O-N 3.11Å; L1021-D1025 PolarHBondContact O-N 3.05Å; L1021-L1102 HydrophobicContact CD1-CB 4.48Å; L1021-L1102 HydrophobicContact CD1-CD1 4.14Å; L1021-R1105 HydrophobicContact CD1-CB 4.39Å; L1021-R1105 HydrophobicContact CD1-CG 4.3Å |
| 1022 | E | 96.7 | Very high | 94.8 | Very high | 104 Ų | 104 | 33.4 Ų | 33.4 | 49% | 0.486 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.9 | -38.9 | 174.5 | -65.5 | 163.1 | 133 | 0 | 0 | 111.7 | I1018 T1019 L1024 D1025 L1026 | I1018-E1022 HydrophobicContact CD1-CB 3.74Å; I1018-E1022 HydrophobicContact CG1-CB 3.59Å; T1019-E1022 VanDerWaalsContact CB-OE2 3.25Å; T1019-E1022 WeakPolarHBondContact CB-OE2 3.48Å; T1019-E1022 VanDerWaalsContact CG2-OE2 3.3Å; T1019-E1022 WeakPolarHBondContact CG2-OE2 3.26Å; T1019-E1022 PolarHBondContact N-OE2 2.84Å; T1019-E1022 VanDerWaalsContact OG1-CG 3.26Å; T1019-E1022 WeakPolarHBondContact OG1-CG 3.48Å; T1019-E1022 PolarHBondContact OG1-N 2.8Å; T1019-E1022 PolarHBondContact OG1-OE2 3.3Å; E1022-L1024 VanDerWaalsContact C-N 3.33Å; E1022-L1024 PolarHBondContact O-N 2.72Å; E1022-D1025 PolarHBondContact O-N 2.82Å; E1022-L1026 WeakPolarHBondContact O-CB 3.33Å; E1022-L1026 WeakPolarHBondContact O-CG 3.33Å; E1022-L1026 PolarHBondContact O-N 3.24Å |
| 1023 | L | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 174.1 | 174.8 | 60.8 | 0 | 0 | 0 | 111.5 | I993 F1010 Y1014 I1018 T1019 L1021 L1027 F1081 W1085 | I993-L1023 HydrophobicContact CD1-CD1 3.87Å; I993-L1023 HydrophobicContact CG1-CD1 4.25Å; F1010-L1023 HydrophobicContact CE1-CD1 3.67Å; F1010-L1023 HydrophobicContact CE1-CD2 3.97Å; F1010-L1023 HydrophobicContact CZ-CD1 3.89Å; Y1014-L1023 HydrophobicContact CD1-CD2 3.94Å; Y1014-L1023 HydrophobicContact CD2-CD2 3.73Å; Y1014-L1023 HydrophobicContact CE1-CD2 3.91Å; Y1014-L1023 HydrophobicContact CE2-CD2 3.72Å; Y1014-L1023 HydrophobicContact CG-CD2 3.85Å; I1018-L1023 HydrophobicContact CD1-CB 4.48Å; T1019-L1023 WeakPolarHBondContact O-CB 3.37Å; T1019-L1023 PolarHBondContact O-N 2.86Å; L1021-L1023 VanDerWaalsContact C-N 3.29Å; L1021-L1023 PolarHBondContact O-N 2.79Å; L1023-L1027 HydrophobicContact CD1-CD1 4.08Å; L1023-L1027 HydrophobicContact CD1-CG 4.28Å; L1023-L1027 HydrophobicContact CG-CD1 4.05Å; L1023-L1027 WeakPolarHBondContact O-CB 3.41Å; L1023-L1027 WeakPolarHBondContact O-CD1 3.46Å; L1023-L1027 VanDerWaalsContact O-CG 3.23Å; L1023-L1027 WeakPolarHBondContact O-CG 3.34Å; L1023-L1027 PolarHBondContact O-N 3.03Å; L1023-F1081 HydrophobicContact CD1-CZ 4.14Å; L1023-F1081 HydrophobicContact CD2-CE1 4.22Å; L1023-F1081 HydrophobicContact CD2-CZ 4.18Å; L1023-W1085 HydrophobicContact CD2-CH2 4.32Å; L1023-W1085 HydrophobicContact CD2-CZ2 4.43Å |
| 1024 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -48.6 | 176.2 | 177.2 | 62.5 | 0 | 0 | 0 | 111.5 | S1020 L1021 E1022 L1026 L1027 I1028 W1085 L1102 R1105 L1106 | S1020-L1024 PolarHBondContact O-N 2.81Å; S1020-L1024 VanDerWaalsContact O-N 3.14Å; L1021-L1024 WeakPolarHBondContact O-CB 3.43Å; L1021-L1024 PolarHBondContact O-N 3.2Å; L1021-L1024 VanDerWaalsContact O-N 3.11Å; E1022-L1024 VanDerWaalsContact C-N 3.33Å; E1022-L1024 PolarHBondContact O-N 2.72Å; L1024-L1026 VanDerWaalsContact C-N 3.32Å; L1024-L1026 PolarHBondContact O-N 2.73Å; L1024-L1027 WeakPolarHBondContact O-CB 3.39Å; L1024-L1027 PolarHBondContact O-N 2.76Å; L1024-L1027 VanDerWaalsContact O-N 3.1Å; L1024-I1028 HydrophobicContact CD1-CD1 4.1Å; L1024-I1028 HydrophobicContact CD1-CG1 4.24Å; L1024-I1028 HydrophobicContact CG-CD1 3.88Å; L1024-I1028 HydrophobicContact CG-CG1 4.45Å; L1024-I1028 VanDerWaalsContact O-CG1 3.3Å; L1024-I1028 WeakPolarHBondContact O-CG1 3.42Å; L1024-I1028 PolarHBondContact O-N 2.96Å; L1024-W1085 HydrophobicContact CB-CZ3 4.39Å; L1024-L1102 HydrophobicContact CB-CD1 3.81Å; L1024-L1102 HydrophobicContact CD2-CD1 3.66Å; L1024-L1102 HydrophobicContact CG-CD1 4.38Å; L1024-R1105 HydrophobicContact CD2-CB 3.95Å; L1024-R1105 HydrophobicContact CD2-CG 3.72Å; L1024-L1106 HydrophobicContact CD1-CB 4.49Å; L1024-L1106 HydrophobicContact CD1-CD1 3.95Å; L1024-L1106 HydrophobicContact CD2-CB 3.85Å |
| 1025 | D | 97.9 | Very high | 94.9 | Very high | 58 Ų | 58 | 37.9 Ų | 37.9 | 31% | 0.31 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.1 | -36.7 | 179.8 | -77.9 | -49.5 | 0 | 0 | 0 | 112.1 | L1021 E1022 I1028 E1029 R1105 | L1021-D1025 PolarHBondContact O-N 3.05Å; E1022-D1025 PolarHBondContact O-N 2.82Å; D1025-I1028 PolarHBondContact O-N 2.99Å; D1025-E1029 PolarHBondContact O-N 3.26Å; D1025-R1105 IonicContact OD1-CZ 3.59Å; D1025-R1105 VanDerWaalsContact OD1-CZ 3.23Å; D1025-R1105 IonicContact OD1-NE 2.65Å; D1025-R1105 PolarHBondContact OD1-NE 3.18Å; D1025-R1105 IonicContact OD1-NH2 2.66Å; D1025-R1105 PolarHBondContact OD1-NH2 3.07Å |
| 1026 | L | 98 | Very high | 94.7 | Very high | 26 Ų | 26 | 35.4 Ų | 35.4 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.2 | -35.5 | 171.9 | -71.7 | -177.1 | 0 | 0 | 0 | 113 | Y959 I989 L990 I993 I1018 E1022 L1024 E1029 R1030 | Y959-L1026 PolarHBondContact OH-O 3.08Å; I989-L1026 HydrophobicContact CG2-CD1 3.98Å; L990-L1026 HydrophobicContact CD2-CD1 4.44Å; L990-L1026 HydrophobicContact CD2-CD2 3.87Å; I993-L1026 HydrophobicContact CD1-CB 3.51Å; I993-L1026 HydrophobicContact CD1-CD1 3.64Å; I993-L1026 HydrophobicContact CD1-CG 4.24Å; I1018-L1026 HydrophobicContact CD1-CD1 3.54Å; E1022-L1026 WeakPolarHBondContact O-CB 3.33Å; E1022-L1026 WeakPolarHBondContact O-CG 3.33Å; E1022-L1026 PolarHBondContact O-N 3.24Å; L1024-L1026 VanDerWaalsContact C-N 3.32Å; L1024-L1026 PolarHBondContact O-N 2.73Å; L1026-E1029 WeakPolarHBondContact CD2-OE2 3.23Å; L1026-E1029 PolarHBondContact O-N 2.75Å; L1026-R1030 WeakPolarHBondContact O-CB 3.3Å; L1026-R1030 PolarHBondContact O-N 3.18Å |
| 1027 | L | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.8 | -35.9 | 172.9 | -74.6 | 166 | 0 | 0 | 0 | 111.9 | I993 T997 L1023 L1024 R1030 F1031 V1078 F1081 I1082 | I993-L1027 HydrophobicContact CG2-CD2 4.12Å; T997-L1027 HydrophobicContact CG2-CD2 4.31Å; L1023-L1027 HydrophobicContact CD1-CD1 4.08Å; L1023-L1027 HydrophobicContact CD1-CG 4.28Å; L1023-L1027 HydrophobicContact CG-CD1 4.05Å; L1023-L1027 WeakPolarHBondContact O-CB 3.41Å; L1023-L1027 WeakPolarHBondContact O-CD1 3.46Å; L1023-L1027 VanDerWaalsContact O-CG 3.23Å; L1023-L1027 WeakPolarHBondContact O-CG 3.34Å; L1023-L1027 PolarHBondContact O-N 3.03Å; L1024-L1027 WeakPolarHBondContact O-CB 3.39Å; L1024-L1027 PolarHBondContact O-N 2.76Å; L1024-L1027 VanDerWaalsContact O-N 3.1Å; L1027-R1030 PolarHBondContact O-N 3.37Å; L1027-F1031 WeakPolarHBondContact O-CB 3.2Å; L1027-F1031 PolarHBondContact O-N 2.96Å; L1027-V1078 HydrophobicContact CB-CG1 4.22Å; L1027-V1078 HydrophobicContact CD2-CG1 4.25Å; L1027-F1081 HydrophobicContact CD1-CD1 3.68Å; L1027-F1081 HydrophobicContact CD1-CE1 3.66Å; L1027-F1081 HydrophobicContact CD1-CG 4.33Å; L1027-F1081 HydrophobicContact CD1-CZ 4.26Å; L1027-F1081 HydrophobicContact CD2-CD1 4.34Å; L1027-F1081 HydrophobicContact CD2-CD2 4.21Å; L1027-F1081 HydrophobicContact CD2-CE2 4.48Å; L1027-F1081 HydrophobicContact CD2-CG 4.17Å; L1027-I1082 HydrophobicContact CD1-CG1 4.39Å |
| 1028 | I | 97.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.6 | -45.1 | 173.2 | -66.2 | 167.3 | 0 | 0 | 0 | 110.2 | L1024 D1025 R1030 F1031 N1032 F1109 | L1024-I1028 HydrophobicContact CD1-CD1 4.1Å; L1024-I1028 HydrophobicContact CD1-CG1 4.24Å; L1024-I1028 HydrophobicContact CG-CD1 3.88Å; L1024-I1028 HydrophobicContact CG-CG1 4.45Å; L1024-I1028 VanDerWaalsContact O-CG1 3.3Å; L1024-I1028 WeakPolarHBondContact O-CG1 3.42Å; L1024-I1028 PolarHBondContact O-N 2.96Å; D1025-I1028 PolarHBondContact O-N 2.99Å; I1028-R1030 VanDerWaalsContact C-N 3.32Å; I1028-R1030 PolarHBondContact O-N 3.46Å; I1028-F1031 PolarHBondContact O-N 3.18Å; I1028-N1032 WeakPolarHBondContact O-CB 3.39Å; I1028-N1032 PolarHBondContact O-N 3.01Å; I1028-N1032 PolarHBondContact O-ND2 2.97Å; I1028-F1109 HydrophobicContact CB-CD2 4.41Å; I1028-F1109 HydrophobicContact CD1-CB 3.84Å; I1028-F1109 HydrophobicContact CD1-CD2 4.34Å; I1028-F1109 HydrophobicContact CD1-CG 4.06Å; I1028-F1109 HydrophobicContact CG1-CB 4.11Å; I1028-F1109 HydrophobicContact CG1-CD1 4.24Å; I1028-F1109 HydrophobicContact CG1-CD2 3.73Å; I1028-F1109 HydrophobicContact CG1-CE2 4.2Å; I1028-F1109 HydrophobicContact CG1-CG 3.74Å; I1028-F1109 HydrophobicContact CG2-CD2 4.1Å; I1028-F1109 HydrophobicContact CG2-CE2 4.45Å |
| 1029 | E | 96.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 172.2 | -173.7 | -170.7 | 163.5 | 0 | 0 | 111.5 | R958 Y959 D1025 L1026 F1031 N1032 | R958-E1029 IonicContact CZ-OE1 2.69Å; R958-E1029 IonicContact CZ-OE2 3.7Å; R958-E1029 IonicContact NE-OE1 3.35Å; R958-E1029 PolarHBondContact NE-OE1 3.36Å; R958-E1029 IonicContact NE-OE2 2.84Å; R958-E1029 IonicContact NH2-OE1 3.22Å; R958-E1029 PolarHBondContact NH2-OE1 3.25Å; R958-E1029 IonicContact NH2-OE2 3.17Å; R958-E1029 PolarHBondContact NH2-OE2 2.95Å; Y959-E1029 HydrophobicContact CE2-CB 4.28Å; Y959-E1029 HydrophobicContact CE2-CG 4Å; D1025-E1029 PolarHBondContact O-N 3.26Å; L1026-E1029 WeakPolarHBondContact CD2-OE2 3.23Å; L1026-E1029 PolarHBondContact O-N 2.75Å; E1029-F1031 VanDerWaalsContact C-N 3.3Å; E1029-F1031 PolarHBondContact O-N 3.1Å; E1029-N1032 PolarHBondContact O-N 3.39Å |
| 1030 | R | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -36.7 | 177.8 | -176.8 | 67.7 | -177.1 | 143.7 | -5.7 | 112 | Y957 Y959 I993 T997 L1026 L1027 I1028 I1033 Y1070 V1074 V1078 | Y957-R1030 WeakPolarHBondContact OH-CD 3.38Å; Y957-R1030 PolarHBondContact OH-NH1 3.09Å; Y957-R1030 PolarHBondContact OH-O 3.12Å; Y959-R1030 HydrophobicContact CD2-CB 4.31Å; Y959-R1030 HydrophobicContact CE2-CB 3.75Å; Y959-R1030 HydrophobicContact CE2-CG 4.44Å; I993-R1030 HydrophobicContact CG2-CB 4.19Å; I993-R1030 HydrophobicContact CG2-CG 4.16Å; T997-R1030 PolarHBondContact O-NH2 3.28Å; T997-R1030 WeakPolarHBondContact OG1-CG 3.38Å; T997-R1030 PolarHBondContact OG1-NE 3Å; L1026-R1030 WeakPolarHBondContact O-CB 3.3Å; L1026-R1030 PolarHBondContact O-N 3.18Å; L1027-R1030 PolarHBondContact O-N 3.37Å; I1028-R1030 VanDerWaalsContact C-N 3.32Å; I1028-R1030 PolarHBondContact O-N 3.46Å; R1030-I1033 VanDerWaalsContact O-CG1 3.29Å; R1030-I1033 WeakPolarHBondContact O-CG1 3.38Å; R1030-Y1070 PolarHBondContact NH1-OH 2.93Å; R1030-V1074 HydrophobicContact CG-CG1 4.02Å; R1030-V1078 HydrophobicContact CB-CG2 4.17Å; R1030-V1078 HydrophobicContact CG-CG2 3.71Å |
| 1031 | F | 96.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73 | -35.8 | 177.3 | -172.3 | -86.9 | 0 | 0 | 0 | 113.4 | L1027 I1028 E1029 I1033 Q1075 V1078 L1079 F1109 V1113 L1118 | L1027-F1031 WeakPolarHBondContact O-CB 3.2Å; L1027-F1031 PolarHBondContact O-N 2.96Å; I1028-F1031 PolarHBondContact O-N 3.18Å; E1029-F1031 VanDerWaalsContact C-N 3.3Å; E1029-F1031 PolarHBondContact O-N 3.1Å; F1031-I1033 PolarHBondContact O-N 2.71Å; F1031-Q1075 HydrophobicContact CD1-CG 4.39Å; F1031-Q1075 HydrophobicContact CD2-CB 3.82Å; F1031-Q1075 HydrophobicContact CD2-CG 3.76Å; F1031-Q1075 HydrophobicContact CE1-CG 4.38Å; F1031-Q1075 HydrophobicContact CE2-CB 3.54Å; F1031-Q1075 HydrophobicContact CE2-CG 3.75Å; F1031-Q1075 HydrophobicContact CG-CG 4.08Å; F1031-Q1075 HydrophobicContact CZ-CB 4.14Å; F1031-Q1075 HydrophobicContact CZ-CG 4.06Å; F1031-Q1075 WeakPolarHBondContact O-CG 3.45Å; F1031-Q1075 PolarHBondContact O-NE2 3.19Å; F1031-V1078 HydrophobicContact CB-CG1 4.19Å; F1031-V1078 HydrophobicContact CD2-CB 4.24Å; F1031-V1078 HydrophobicContact CD2-CG1 4.18Å; F1031-L1079 HydrophobicContact CD2-CG 4.44Å; F1031-L1079 HydrophobicContact CE2-CD1 3.99Å; F1031-L1079 HydrophobicContact CE2-CD2 4.34Å; F1031-L1079 HydrophobicContact CE2-CG 3.91Å; F1031-F1109 HydrophobicContact CB-CE2 4.25Å; F1031-F1109 HydrophobicContact CB-CZ 4.14Å; F1031-F1109 AromaticContact CD1-CE2 3.75Å; F1031-F1109 HydrophobicContact CD1-CE2 3.75Å; F1031-F1109 AromaticContact CD1-CZ 3.96Å; F1031-F1109 HydrophobicContact CD1-CZ 3.96Å; F1031-F1109 AromaticContact CD2-CZ 3.95Å; F1031-F1109 HydrophobicContact CD2-CZ 3.95Å; F1031-F1109 HydrophobicContact CE1-CE2 4.24Å; F1031-F1109 HydrophobicContact CE1-CZ 4.37Å; F1031-F1109 HydrophobicContact CE2-CZ 4.36Å; F1031-F1109 AromaticContact CG-CE2 3.94Å; F1031-F1109 HydrophobicContact CG-CE2 3.94Å; F1031-F1109 AromaticContact CG-CZ 3.75Å; F1031-F1109 HydrophobicContact CG-CZ 3.75Å; F1031-V1113 HydrophobicContact CE1-CG2 4.01Å; F1031-V1113 HydrophobicContact CZ-CG1 3.86Å; F1031-V1113 HydrophobicContact CZ-CG2 3.9Å; F1031-L1118 HydrophobicContact CE2-CD1 3.99Å; F1031-L1118 HydrophobicContact CZ-CD1 3.84Å |
| 1032 | N | 95 | Very high | 90.7 | Very high | 92 Ų | 92 | 39.9 Ų | 39.9 | 49% | 0.492 | 21% | 0.21 | S | C | . | . | trans | -81.7 | 61.9 | -175.8 | -72.5 | -20 | 0 | 0 | 0 | 112.2 | I1028 E1029 P1034 | I1028-N1032 WeakPolarHBondContact O-CB 3.39Å; I1028-N1032 PolarHBondContact O-N 3.01Å; I1028-N1032 PolarHBondContact O-ND2 2.97Å; E1029-N1032 PolarHBondContact O-N 3.39Å; N1032-P1034 WeakPolarHBondContact O-CD 3.36Å | ||
| 1033 | I | 94.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | trans | -74.8 | 115 | -176.6 | -54.2 | 173.4 | 0 | 0 | 0 | 110 | Y957 R1030 F1031 F1066 Y1070 K1071 V1074 Q1075 | Y957-I1033 HydrophobicContact CE2-CB 4.44Å; Y957-I1033 HydrophobicContact CE2-CG1 4.03Å; Y957-I1033 WeakPolarHBondContact OH-CG1 3.47Å; R1030-I1033 VanDerWaalsContact O-CG1 3.29Å; R1030-I1033 WeakPolarHBondContact O-CG1 3.38Å; F1031-I1033 PolarHBondContact O-N 2.71Å; I1033-F1066 HydrophobicContact CG2-CE1 4.31Å; I1033-F1066 HydrophobicContact CG2-CE2 4.49Å; I1033-F1066 HydrophobicContact CG2-CZ 3.61Å; I1033-Y1070 HydrophobicContact CD1-CD1 4.24Å; I1033-Y1070 HydrophobicContact CD1-CE1 4.19Å; I1033-Y1070 HydrophobicContact CG2-CD1 4.46Å; I1033-Y1070 HydrophobicContact CG2-CE1 4.45Å; I1033-K1071 HydrophobicContact CB-CD 4.37Å; I1033-K1071 HydrophobicContact CB-CG 4.18Å; I1033-K1071 HydrophobicContact CD1-CB 4.45Å; I1033-K1071 HydrophobicContact CD1-CG 4.21Å; I1033-K1071 HydrophobicContact CG2-CD 4.48Å; I1033-K1071 HydrophobicContact CG2-CG 4.44Å; I1033-K1071 WeakPolarHBondContact O-CE 3.07Å; I1033-K1071 PolarHBondContact O-NZ 3.35Å; I1033-V1074 HydrophobicContact CD1-CB 3.77Å; I1033-V1074 HydrophobicContact CD1-CG1 3.79Å; I1033-V1074 HydrophobicContact CD1-CG2 4.47Å; I1033-Q1075 HydrophobicContact CD1-CG 4.37Å | ||
| 1034 | P | 93.8 | Very high | 88.1 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -68.8 | 156.3 | 173 | 30.3 | -33.6 | 0 | 0 | 0 | 110.6 | P952 V956 Y957 N1032 | P952-P1034 HydrophobicContact CB-CG 3.86Å; P952-P1034 HydrophobicContact CG-CG 3.92Å; P952-P1034 WeakPolarHBondContact CG-O 3.25Å; V956-P1034 HydrophobicContact CG1-CG 4.13Å; Y957-P1034 HydrophobicContact CD2-CG 4.46Å; N1032-P1034 WeakPolarHBondContact O-CD 3.36Å |
| 1035 | N | 88 | Confident | 86.5 | Confident | 77 Ų | 77 | 46.3 Ų | 46.3 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -80.9 | 136.4 | 168.2 | -72.1 | 17.2 | 0 | 0 | 0 | 108.7 | F1038 E1063 K1071 | N1035-F1038 HydrophobicContact CB-CE2 4.12Å; N1035-E1063 PolarHBondContact ND2-OE1 2.96Å; N1035-K1071 PolarHBondContact OD1-NZ 3.12Å |
| 1036 | P | 87.6 | Confident | 84.7 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 13% | 0.13 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 170.6 | 168 | 33 | -36.1 | 0 | 0 | 0 | 111.4 | I950 F1038 | I950-P1036 HydrophobicContact CB-CG 4.46Å; I950-P1036 HydrophobicContact CG2-CB 3.87Å; I950-P1036 HydrophobicContact CG2-CG 3.95Å; P1036-F1038 VanDerWaalsContact CD-CZ 3.5Å; P1036-F1038 HydrophobicContact CG-CD1 4.09Å; P1036-F1038 HydrophobicContact CG-CE1 3.47Å; P1036-F1038 VanDerWaalsContact CG-CE1 3.47Å; P1036-F1038 HydrophobicContact CG-CE2 4.19Å; P1036-F1038 HydrophobicContact CG-CZ 3.53Å; P1036-F1038 WeakPolarHBondContact O-CD2 3.42Å; P1036-F1038 PolarHBondContact O-N 3.14Å |
| 1037 | D | 85.2 | Confident | 82.7 | Confident | 92 Ų | 92 | 52.1 Ų | 52.1 | 49% | 0.492 | 27% | 0.272 | S | S | . | . | trans | -77.6 | 105 | 168.7 | -163.2 | -46.8 | 0 | 0 | 0 | 109.9 | T1039 E1040 | D1037-T1039 VanDerWaalsContact C-N 3.31Å; D1037-T1039 WeakPolarHBondContact OD1-CA 3.25Å; D1037-T1039 WeakPolarHBondContact OD1-CB 3.3Å; D1037-T1039 PolarHBondContact OD1-N 3.22Å; D1037-T1039 PolarHBondContact OD1-OG1 3.48Å; D1037-E1040 PolarHBondContact OD1-N 3.21Å | ||
| 1038 | F | 83.7 | Confident | 80.6 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -77.5 | -15.4 | 177.3 | -59.1 | -70.8 | 0 | 0 | 0 | 113.2 | N1035 P1036 A1042 A1059 L1062 E1063 F1066 | N1035-F1038 HydrophobicContact CB-CE2 4.12Å; P1036-F1038 VanDerWaalsContact CD-CZ 3.5Å; P1036-F1038 HydrophobicContact CG-CD1 4.09Å; P1036-F1038 HydrophobicContact CG-CE1 3.47Å; P1036-F1038 VanDerWaalsContact CG-CE1 3.47Å; P1036-F1038 HydrophobicContact CG-CE2 4.19Å; P1036-F1038 HydrophobicContact CG-CZ 3.53Å; P1036-F1038 WeakPolarHBondContact O-CD2 3.42Å; P1036-F1038 PolarHBondContact O-N 3.14Å; F1038-A1042 WeakPolarHBondContact O-CB 3.45Å; F1038-A1042 PolarHBondContact O-N 3.34Å; F1038-A1059 HydrophobicContact CB-CB 4.13Å; F1038-A1059 WeakPolarHBondContact O-CB 3.24Å; F1038-L1062 HydrophobicContact CD1-CB 3.84Å; F1038-E1063 HydrophobicContact CD1-CB 4.19Å; F1038-E1063 HydrophobicContact CD2-CB 3.65Å; F1038-E1063 HydrophobicContact CD2-CG 3.98Å; F1038-E1063 HydrophobicContact CE1-CB 4.13Å; F1038-E1063 HydrophobicContact CE2-CB 3.57Å; F1038-E1063 HydrophobicContact CE2-CG 3.48Å; F1038-E1063 VanDerWaalsContact CE2-CG 3.48Å; F1038-E1063 HydrophobicContact CG-CB 3.95Å; F1038-E1063 HydrophobicContact CZ-CB 3.82Å; F1038-E1063 HydrophobicContact CZ-CG 3.84Å; F1038-F1066 HydrophobicContact CE1-CB 3.75Å; F1038-F1066 HydrophobicContact CE1-CD1 4.38Å; F1038-F1066 HydrophobicContact CE1-CG 4.17Å; F1038-F1066 HydrophobicContact CZ-CB 3.82Å; F1038-F1066 AromaticContact CZ-CD1 3.69Å; F1038-F1066 HydrophobicContact CZ-CD1 3.69Å; F1038-F1066 HydrophobicContact CZ-CE1 4.48Å; F1038-F1066 AromaticContact CZ-CG 3.93Å; F1038-F1066 HydrophobicContact CZ-CG 3.93Å |
| 1039 | T | 77.8 | Confident | 78.4 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -83 | -40.6 | -177 | 70.2 | 0 | 0 | 0 | 0 | 111.7 | D1037 A1042 N1043 | D1037-T1039 VanDerWaalsContact C-N 3.31Å; D1037-T1039 WeakPolarHBondContact OD1-CA 3.25Å; D1037-T1039 WeakPolarHBondContact OD1-CB 3.3Å; D1037-T1039 PolarHBondContact OD1-N 3.22Å; D1037-T1039 PolarHBondContact OD1-OG1 3.48Å; T1039-A1042 PolarHBondContact O-N 2.71Å; T1039-N1043 PolarHBondContact O-N 2.89Å; T1039-N1043 PolarHBondContact O-ND2 2.62Å; T1039-N1043 VanDerWaalsContact O-ND2 3.08Å |
| 1040 | E | 78 | Confident | 76.1 | Confident | 135 Ų | 135 | 63.6 Ų | 63.6 | 63% | 0.631 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.9 | -50.3 | 172.6 | -170.2 | 165.1 | -131.3 | 0 | 0 | 110.3 | D1037 A1042 N1043 E1044 | D1037-E1040 PolarHBondContact OD1-N 3.21Å; E1040-A1042 VanDerWaalsContact C-N 3.33Å; E1040-A1042 PolarHBondContact O-N 3.26Å; E1040-N1043 PolarHBondContact O-N 3.17Å; E1040-N1043 VanDerWaalsContact O-N 3.1Å; E1040-E1044 PolarHBondContact O-N 3.45Å |
| 1041 | A | 74.5 | Confident | 73.6 | Confident | 10 Ų | 10 | 71.8 Ų | 71.8 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.7 | -34.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I950 T1045 L1062 | I950-A1041 HydrophobicContact CD1-CB 3.88Å; I950-A1041 HydrophobicContact CG1-CB 3.82Å; I950-A1041 HydrophobicContact CG2-CB 4.21Å; A1041-T1045 VanDerWaalsContact O-CB 3.28Å; A1041-T1045 WeakPolarHBondContact O-CB 3.5Å; A1041-T1045 PolarHBondContact O-N 3.21Å; A1041-T1045 PolarHBondContact O-OG1 2.73Å; A1041-L1062 HydrophobicContact CB-CD1 4.33Å |
| 1042 | A | 72.1 | Confident | 71.1 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1038 T1039 E1040 T1045 F1046 V1058 A1059 L1062 | F1038-A1042 WeakPolarHBondContact O-CB 3.45Å; F1038-A1042 PolarHBondContact O-N 3.34Å; T1039-A1042 PolarHBondContact O-N 2.71Å; E1040-A1042 VanDerWaalsContact C-N 3.33Å; E1040-A1042 PolarHBondContact O-N 3.26Å; A1042-T1045 PolarHBondContact O-N 3.14Å; A1042-F1046 WeakPolarHBondContact O-CB 3.31Å; A1042-F1046 PolarHBondContact O-N 3.45Å; A1042-V1058 HydrophobicContact CB-CB 4.06Å; A1042-V1058 HydrophobicContact CB-CG1 3.95Å; A1042-A1059 HydrophobicContact CB-CB 3.79Å; A1042-L1062 HydrophobicContact CB-CD1 4.24Å |
| 1043 | N | 71.5 | Confident | 68.9 | Low | 77 Ų | 77 | 74.8 Ų | 74.8 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 177.1 | -67.3 | -31.5 | 0 | 0 | 0 | 111.8 | T1039 E1040 F1046 N1047 S1055 | T1039-N1043 PolarHBondContact O-N 2.89Å; T1039-N1043 PolarHBondContact O-ND2 2.62Å; T1039-N1043 VanDerWaalsContact O-ND2 3.08Å; E1040-N1043 PolarHBondContact O-N 3.17Å; E1040-N1043 VanDerWaalsContact O-N 3.1Å; N1043-F1046 PolarHBondContact O-N 3.02Å; N1043-N1047 VanDerWaalsContact O-CG 3.27Å; N1043-N1047 PolarHBondContact O-N 3.04Å; N1043-N1047 PolarHBondContact O-ND2 3.09Å; N1043-N1047 VanDerWaalsContact O-ND2 3.13Å; N1043-S1055 WeakPolarHBondContact OD1-CB 3.48Å; N1043-S1055 PolarHBondContact OD1-OG 3.19Å |
| 1044 | E | 69.7 | Low | 67.1 | Low | 142 Ų | 142 | 77.5 Ų | 77.5 | 66% | 0.664 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | 172.5 | -67.9 | -168.4 | 145.7 | 0 | 0 | 111.8 | E1040 N1047 | E1040-E1044 PolarHBondContact O-N 3.45Å; E1044-N1047 PolarHBondContact O-N 2.85Å |
| 1045 | T | 63.9 | Low | 65.7 | Low | 19 Ų | 19 | 77.1 Ų | 77.1 | 12% | 0.117 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.4 | -41.7 | -180 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | A1041 A1042 N1047 S1048 I1049 V1058 | A1041-T1045 VanDerWaalsContact O-CB 3.28Å; A1041-T1045 WeakPolarHBondContact O-CB 3.5Å; A1041-T1045 PolarHBondContact O-N 3.21Å; A1041-T1045 PolarHBondContact O-OG1 2.73Å; A1042-T1045 PolarHBondContact O-N 3.14Å; T1045-N1047 VanDerWaalsContact C-N 3.34Å; T1045-N1047 PolarHBondContact O-N 3.28Å; T1045-S1048 WeakPolarHBondContact O-CA 3.25Å; T1045-S1048 WeakPolarHBondContact O-CB 3.48Å; T1045-S1048 PolarHBondContact O-N 2.99Å; T1045-S1048 PolarHBondContact O-OG 2.86Å; T1045-I1049 HydrophobicContact CG2-CD1 3.74Å; T1045-I1049 HydrophobicContact CG2-CG1 4.46Å; T1045-I1049 PolarHBondContact O-N 3.43Å; T1045-V1058 HydrophobicContact CG2-CG1 4.48Å |
| 1046 | F | 59.9 | Low | 64.6 | Low | 64 Ų | 64 | 79.5 Ų | 79.5 | 28% | 0.281 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 176.7 | 178.7 | -101.9 | 0 | 0 | 0 | 112.1 | A1042 N1043 S1048 I1049 D1053 | A1042-F1046 WeakPolarHBondContact O-CB 3.31Å; A1042-F1046 PolarHBondContact O-N 3.45Å; N1043-F1046 PolarHBondContact O-N 3.02Å; F1046-S1048 PolarHBondContact O-N 3.36Å; F1046-I1049 CarbonylContact O-C 3.59Å; F1046-I1049 PolarHBondContact O-N 3.25Å; F1046-D1053 VanDerWaalsContact CD2-O 3.31Å; F1046-D1053 WeakPolarHBondContact CD2-O 3.33Å; F1046-D1053 WeakPolarHBondContact CE2-O 3.49Å |
| 1047 | N | 55 | Low | 63.5 | Low | 142 Ų | 142 | 80.4 Ų | 80.4 | 76% | 0.759 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.2 | 173.5 | -71 | -32.4 | 0 | 0 | 0 | 113.7 | N1043 E1044 T1045 | N1043-N1047 VanDerWaalsContact O-CG 3.27Å; N1043-N1047 PolarHBondContact O-N 3.04Å; N1043-N1047 PolarHBondContact O-ND2 3.09Å; N1043-N1047 VanDerWaalsContact O-ND2 3.13Å; E1044-N1047 PolarHBondContact O-N 2.85Å; T1045-N1047 VanDerWaalsContact C-N 3.34Å; T1045-N1047 PolarHBondContact O-N 3.28Å |
| 1048 | S | 54 | Low | 62.8 | Low | 96 Ų | 96 | 76.1 Ų | 76.1 | 67% | 0.671 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -17.1 | 171.4 | 78.6 | 0 | 0 | 0 | 0 | 114.5 | T1045 F1046 | T1045-S1048 WeakPolarHBondContact O-CA 3.25Å; T1045-S1048 WeakPolarHBondContact O-CB 3.48Å; T1045-S1048 PolarHBondContact O-N 2.99Å; T1045-S1048 PolarHBondContact O-OG 2.86Å; F1046-S1048 PolarHBondContact O-N 3.36Å |
| 1049 | I | 51.5 | Low | 62.3 | Low | 34 Ų | 34 | 75.9 Ų | 75.9 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -112.3 | 112.2 | -175.3 | -61.9 | 177.7 | 0 | 0 | 0 | 109.4 | Q945 T1045 F1046 E1051 | Q945-I1049 HydrophobicContact CB-CD1 4.45Å; Q945-I1049 HydrophobicContact CG-CD1 4.07Å; T1045-I1049 HydrophobicContact CG2-CD1 3.74Å; T1045-I1049 HydrophobicContact CG2-CG1 4.46Å; T1045-I1049 PolarHBondContact O-N 3.43Å; F1046-I1049 CarbonylContact O-C 3.59Å; F1046-I1049 PolarHBondContact O-N 3.25Å; I1049-E1051 PolarHBondContact O-N 3.2Å |
| 1050 | K | 48.3 | Very low | 62 | Low | 181 Ų | 181 | 76.2 Ų | 76.2 | 79% | 0.787 | 39% | 0.389 | S | S | * | . | trans | -53.8 | 104.1 | -176.7 | -68.8 | -169.6 | 171.8 | -164.1 | 0 | 114.2 | R1052 | K1050-R1052 PolarHBondContact O-N 3.13Š| ||
| 1051 | E | 44.6 | Very low | 61.7 | Low | 173 Ų | 173 | 70.8 Ų | 70.8 | 81% | 0.808 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 56.2 | -13.3 | 147.4 | -65.4 | 177 | 127.1 | 0 | 0 | 120.7 | I1049 | I1049-E1051 PolarHBondContact O-N 3.2Š|
| 1052 | R | 45.2 | Very low | 61.9 | Low | 147 Ų | 147 | 70.5 Ų | 70.5 | 56% | 0.555 | 36% | 0.359 | S | S | * | . | trans | -91.3 | -30.1 | -165.1 | -71.8 | -173.9 | 174 | 161 | -3.2 | 117.2 | D217 K1050 | D217-R1052 VanDerWaalsContact CB-NH1 3.34Å; D217-R1052 PolarHBondContact O-NH2 3.06Å; D217-R1052 IonicContact OD1-NE 3.55Å; D217-R1052 WeakPolarHBondContact OD2-CD 3.28Å; D217-R1052 IonicContact OD2-CZ 2.69Å; D217-R1052 IonicContact OD2-NE 3.44Å; D217-R1052 IonicContact OD2-NH1 3.79Å; D217-R1052 PolarHBondContact OD2-NH1 3.38Å; K1050-R1052 PolarHBondContact O-N 3.13Å | ||
| 1053 | D | 48.9 | Very low | 62.4 | Low | 19 Ų | 19 | 72.2 Ų | 72.2 | 10% | 0.102 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -100.7 | 132.6 | 177.9 | -82.7 | -57.2 | 0 | 0 | 0 | 110.4 | F1046 V1058 R1061 | F1046-D1053 VanDerWaalsContact CD2-O 3.31Å; F1046-D1053 WeakPolarHBondContact CD2-O 3.33Å; F1046-D1053 WeakPolarHBondContact CE2-O 3.49Å; D1053-V1058 HydrophobicContact CB-CG2 3.76Å; D1053-R1061 IonicContact OD1-CZ 2.88Å; D1053-R1061 IonicContact OD1-NH1 3.52Å; D1053-R1061 IonicContact OD1-NH2 3.05Å; D1053-R1061 PolarHBondContact OD1-NH2 3.49Å; D1053-R1061 IonicContact OD2-CZ 2.73Å; D1053-R1061 IonicContact OD2-NH1 3.86Å; D1053-R1061 PolarHBondContact OD2-NH1 3.03Å; D1053-R1061 IonicContact OD2-NH2 3.72Å; D1053-R1061 PolarHBondContact OD2-NH2 3.1Å |
| 1054 | S | 57.1 | Low | 62.4 | Low | 62 Ų | 62 | 69.7 Ų | 69.7 | 43% | 0.434 | 35% | 0.353 | S | S | . | . | trans | -61.5 | 146.5 | 172.9 | 88.5 | 0 | 0 | 0 | 0 | 110.5 | I1056 T1057 V1058 | S1054-I1056 PolarHBondContact O-N 3.06Å; S1054-I1056 VanDerWaalsContact O-N 3.14Å; S1054-T1057 WeakPolarHBondContact O-CA 3.35Å; S1054-T1057 VanDerWaalsContact O-CB 3.28Å; S1054-T1057 WeakPolarHBondContact O-CB 3.38Å; S1054-T1057 PolarHBondContact O-N 3.05Å; S1054-T1057 PolarHBondContact OG-N 3.05Å; S1054-T1057 VanDerWaalsContact OG-N 3.12Å; S1054-T1057 PolarHBondContact OG-OG1 3.26Å; S1054-V1058 PolarHBondContact O-N 3.36Å | ||
| 1055 | S | 63.1 | Low | 62.6 | Low | 33 Ų | 33 | 65.5 Ų | 65.5 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.9 | -34.3 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | N1043 T1057 V1058 A1059 | N1043-S1055 WeakPolarHBondContact OD1-CB 3.48Å; N1043-S1055 PolarHBondContact OD1-OG 3.19Å; S1055-T1057 PolarHBondContact O-N 2.92Å; S1055-V1058 PolarHBondContact O-N 2.99Å; S1055-A1059 WeakPolarHBondContact O-CB 3.37Å; S1055-A1059 PolarHBondContact O-N 2.71Å |
| 1056 | I | 64.4 | Low | 63.6 | Low | 127 Ų | 127 | 64.6 Ų | 64.6 | 65% | 0.651 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 171.4 | -100.6 | 172 | 0 | 0 | 0 | 112.4 | S1054 A1059 L1060 | S1054-I1056 PolarHBondContact O-N 3.06Å; S1054-I1056 VanDerWaalsContact O-N 3.14Å; I1056-A1059 PolarHBondContact O-N 2.96Å; I1056-L1060 HydrophobicContact CG2-CD1 4.25Å; I1056-L1060 WeakPolarHBondContact O-CB 3.37Å; I1056-L1060 VanDerWaalsContact O-CG 3.3Å; I1056-L1060 WeakPolarHBondContact O-CG 3.39Å; I1056-L1060 PolarHBondContact O-N 3Å |
| 1057 | T | 64.5 | Low | 64.6 | Low | 38 Ų | 38 | 65.1 Ų | 65.1 | 23% | 0.233 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 177.3 | -45.2 | 0 | 0 | 0 | 0 | 110.7 | S269 S1054 S1055 L1060 R1061 | S269-T1057 WeakPolarHBondContact OG-CG2 3.45Å; S1054-T1057 WeakPolarHBondContact O-CA 3.35Å; S1054-T1057 VanDerWaalsContact O-CB 3.28Å; S1054-T1057 WeakPolarHBondContact O-CB 3.38Å; S1054-T1057 PolarHBondContact O-N 3.05Å; S1054-T1057 PolarHBondContact OG-N 3.05Å; S1054-T1057 VanDerWaalsContact OG-N 3.12Å; S1054-T1057 PolarHBondContact OG-OG1 3.26Å; S1055-T1057 PolarHBondContact O-N 2.92Å; T1057-L1060 PolarHBondContact O-N 3.44Å; T1057-R1061 WeakPolarHBondContact O-CG 3.48Å; T1057-R1061 PolarHBondContact O-N 2.78Å; T1057-R1061 VanDerWaalsContact O-N 3.12Å |
| 1058 | V | 70.6 | Confident | 65.2 | Low | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 177.2 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | A1042 T1045 D1053 S1054 S1055 L1060 R1061 L1062 | A1042-V1058 HydrophobicContact CB-CB 4.06Å; A1042-V1058 HydrophobicContact CB-CG1 3.95Å; T1045-V1058 HydrophobicContact CG2-CG1 4.48Å; D1053-V1058 HydrophobicContact CB-CG2 3.76Å; S1054-V1058 PolarHBondContact O-N 3.36Å; S1055-V1058 PolarHBondContact O-N 2.99Å; V1058-L1060 VanDerWaalsContact C-N 3.32Å; V1058-L1060 PolarHBondContact O-N 3.43Å; V1058-R1061 PolarHBondContact O-N 2.95Å; V1058-L1062 HydrophobicContact CG1-CD1 4.09Å; V1058-L1062 HydrophobicContact CG1-CG 4.39Å; V1058-L1062 WeakPolarHBondContact O-CG 3.39Å; V1058-L1062 PolarHBondContact O-N 3.36Å |
| 1059 | A | 74.1 | Confident | 66.2 | Low | 11 Ų | 11 | 55.5 Ų | 55.5 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1038 A1042 S1055 I1056 L1062 E1063 | F1038-A1059 HydrophobicContact CB-CB 4.13Å; F1038-A1059 WeakPolarHBondContact O-CB 3.24Å; A1042-A1059 HydrophobicContact CB-CB 3.79Å; S1055-A1059 WeakPolarHBondContact O-CB 3.37Å; S1055-A1059 PolarHBondContact O-N 2.71Å; I1056-A1059 PolarHBondContact O-N 2.96Å; A1059-L1062 PolarHBondContact O-N 3.43Å; A1059-E1063 PolarHBondContact O-N 2.89Å |
| 1060 | L | 71.1 | Confident | 67.7 | Low | 88 Ų | 88 | 54.1 Ų | 54.1 | 46% | 0.461 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 176.6 | -73.3 | 168.6 | 0 | 0 | 0 | 112.7 | I1056 T1057 V1058 E1063 Q1064 | I1056-L1060 HydrophobicContact CG2-CD1 4.25Å; I1056-L1060 WeakPolarHBondContact O-CB 3.37Å; I1056-L1060 VanDerWaalsContact O-CG 3.3Å; I1056-L1060 WeakPolarHBondContact O-CG 3.39Å; I1056-L1060 PolarHBondContact O-N 3Å; T1057-L1060 PolarHBondContact O-N 3.44Å; V1058-L1060 VanDerWaalsContact C-N 3.32Å; V1058-L1060 PolarHBondContact O-N 3.43Å; L1060-E1063 PolarHBondContact O-N 2.96Å; L1060-Q1064 PolarHBondContact O-N 2.77Å |
| 1061 | R | 72.1 | Confident | 69.6 | Low | 20 Ų | 20 | 47.6 Ų | 47.6 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 173.8 | -64.5 | -170.5 | -168.4 | 134.9 | 17 | 111.6 | S269 V273 L947 D1053 T1057 V1058 R1065 | S269-R1061 VanDerWaalsContact CB-NH2 3.28Å; S269-R1061 PolarHBondContact OG-NE 2.67Å; S269-R1061 PolarHBondContact OG-NH2 3.3Å; V273-R1061 HydrophobicContact CG2-CB 4.05Å; V273-R1061 HydrophobicContact CG2-CG 3.77Å; L947-R1061 HydrophobicContact CD1-CB 3.67Å; L947-R1061 HydrophobicContact CD1-CG 4.39Å; D1053-R1061 IonicContact OD1-CZ 2.88Å; D1053-R1061 IonicContact OD1-NH1 3.52Å; D1053-R1061 IonicContact OD1-NH2 3.05Å; D1053-R1061 PolarHBondContact OD1-NH2 3.49Å; D1053-R1061 IonicContact OD2-CZ 2.73Å; D1053-R1061 IonicContact OD2-NH1 3.86Å; D1053-R1061 PolarHBondContact OD2-NH1 3.03Å; D1053-R1061 IonicContact OD2-NH2 3.72Å; D1053-R1061 PolarHBondContact OD2-NH2 3.1Å; T1057-R1061 WeakPolarHBondContact O-CG 3.48Å; T1057-R1061 PolarHBondContact O-N 2.78Å; T1057-R1061 VanDerWaalsContact O-N 3.12Å; V1058-R1061 PolarHBondContact O-N 2.95Å; R1061-R1065 VanDerWaalsContact O-CB 3.28Å; R1061-R1065 WeakPolarHBondContact O-CB 3.14Å; R1061-R1065 PolarHBondContact O-N 2.8Å |
| 1062 | L | 79.3 | Confident | 71.2 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.2 | -67.7 | 173.3 | 0 | 0 | 0 | 111.3 | L947 P948 I950 F1038 A1041 A1042 V1058 A1059 F1066 | L947-L1062 HydrophobicContact CB-CD2 4.18Å; L947-L1062 HydrophobicContact CD2-CD2 3.74Å; L947-L1062 HydrophobicContact CD2-CG 4.22Å; P948-L1062 HydrophobicContact CG-CD2 4.26Å; P948-L1062 WeakPolarHBondContact O-CD2 3.47Å; I950-L1062 HydrophobicContact CG1-CD1 4.41Å; I950-L1062 HydrophobicContact CG1-CD2 4.21Å; F1038-L1062 HydrophobicContact CD1-CB 3.84Å; A1041-L1062 HydrophobicContact CB-CD1 4.33Å; A1042-L1062 HydrophobicContact CB-CD1 4.24Å; V1058-L1062 HydrophobicContact CG1-CD1 4.09Å; V1058-L1062 HydrophobicContact CG1-CG 4.39Å; V1058-L1062 WeakPolarHBondContact O-CG 3.39Å; V1058-L1062 PolarHBondContact O-N 3.36Å; A1059-L1062 PolarHBondContact O-N 3.43Å; L1062-F1066 WeakPolarHBondContact O-CB 3.41Å; L1062-F1066 PolarHBondContact O-N 3.38Å |
| 1063 | E | 81.5 | Confident | 72.9 | Confident | 36 Ų | 36 | 36.2 Ų | 36.2 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -50.4 | 176.8 | -179 | 165.6 | -158.7 | 0 | 0 | 112.4 | N1035 F1038 A1059 L1060 R1065 F1066 R1067 | N1035-E1063 PolarHBondContact ND2-OE1 2.96Å; F1038-E1063 HydrophobicContact CD1-CB 4.19Å; F1038-E1063 HydrophobicContact CD2-CB 3.65Å; F1038-E1063 HydrophobicContact CD2-CG 3.98Å; F1038-E1063 HydrophobicContact CE1-CB 4.13Å; F1038-E1063 HydrophobicContact CE2-CB 3.57Å; F1038-E1063 HydrophobicContact CE2-CG 3.48Å; F1038-E1063 VanDerWaalsContact CE2-CG 3.48Å; F1038-E1063 HydrophobicContact CG-CB 3.95Å; F1038-E1063 HydrophobicContact CZ-CB 3.82Å; F1038-E1063 HydrophobicContact CZ-CG 3.84Å; A1059-E1063 PolarHBondContact O-N 2.89Å; L1060-E1063 PolarHBondContact O-N 2.96Å; E1063-R1065 VanDerWaalsContact C-N 3.29Å; E1063-R1065 PolarHBondContact O-N 3.36Å; E1063-F1066 PolarHBondContact O-N 3.25Å; E1063-F1066 VanDerWaalsContact O-N 3.15Å; E1063-R1067 VanDerWaalsContact CD-NE 3.34Å; E1063-R1067 HydrophobicContact CG-CG 4.1Å; E1063-R1067 WeakPolarHBondContact O-CG 3.26Å; E1063-R1067 PolarHBondContact O-N 2.92Å; E1063-R1067 IonicContact OE1-CZ 2.94Å; E1063-R1067 VanDerWaalsContact OE1-CZ 3.24Å; E1063-R1067 IonicContact OE1-NE 3.61Å; E1063-R1067 PolarHBondContact OE1-NE 3.04Å; E1063-R1067 IonicContact OE1-NH2 3.75Å; E1063-R1067 PolarHBondContact OE1-NH2 2.86Å; E1063-R1067 IonicContact OE2-NH2 2.68Å; E1063-R1067 PolarHBondContact OE2-NH2 3.34Å |
| 1064 | Q | 72.4 | Confident | 74.8 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -40.3 | -179.1 | -75.1 | -174.9 | -34.6 | 0 | 0 | 111.3 | V273 D299 L1060 R1067 S1068 | V273-Q1064 HydrophobicContact CG1-CB 3.73Å; D299-Q1064 PolarHBondContact OD2-NE2 3.36Å; L1060-Q1064 PolarHBondContact O-N 2.77Å; Q1064-R1067 PolarHBondContact O-N 3.02Å; Q1064-S1068 WeakPolarHBondContact O-CB 3.47Å; Q1064-S1068 PolarHBondContact O-N 3.15Å; Q1064-S1068 PolarHBondContact O-OG 3.49Å |
| 1065 | R | 74.1 | Confident | 76.4 | Confident | 54 Ų | 54 | 33.9 Ų | 33.9 | 20% | 0.204 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | 174.4 | -171.4 | 162.2 | 164 | 133.3 | -12.2 | 112.4 | E276 L947 R1061 E1063 S1068 V1069 | E276-R1065 IonicContact OE1-NH1 3.64Å; E276-R1065 PolarHBondContact OE1-NH1 3.15Å; E276-R1065 IonicContact OE2-CZ 2.79Å; E276-R1065 IonicContact OE2-NH1 3.48Å; E276-R1065 PolarHBondContact OE2-NH1 3.48Å; L947-R1065 PolarHBondContact O-NE 2.94Å; L947-R1065 PolarHBondContact O-NH2 3.18Å; R1061-R1065 VanDerWaalsContact O-CB 3.28Å; R1061-R1065 WeakPolarHBondContact O-CB 3.14Å; R1061-R1065 PolarHBondContact O-N 2.8Å; E1063-R1065 VanDerWaalsContact C-N 3.29Å; E1063-R1065 PolarHBondContact O-N 3.36Å; R1065-S1068 PolarHBondContact O-OG 3.49Å; R1065-V1069 HydrophobicContact CG-CG2 4.02Å; R1065-V1069 WeakPolarHBondContact O-CB 3.28Å; R1065-V1069 VanDerWaalsContact O-CG2 3.24Å; R1065-V1069 WeakPolarHBondContact O-CG2 3.36Å; R1065-V1069 PolarHBondContact O-N 3.03Å |
| 1066 | F | 84.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -64.5 | -43.8 | 172.5 | 175.1 | -104.2 | 0 | 0 | 0 | 112.9 | L949 I950 L951 P952 I1033 F1038 L1062 E1063 Y1070 K1071 | L949-F1066 HydrophobicContact CD1-CB 4.44Å; L949-F1066 HydrophobicContact CD1-CD2 4.34Å; I950-F1066 WeakPolarHBondContact O-CD2 3.08Å; L951-F1066 HydrophobicContact CD2-CD2 4.4Å; L951-F1066 HydrophobicContact CD2-CE2 4.13Å; P952-F1066 HydrophobicContact CG-CE2 4.43Å; P952-F1066 HydrophobicContact CG-CZ 4.05Å; I1033-F1066 HydrophobicContact CG2-CE1 4.31Å; I1033-F1066 HydrophobicContact CG2-CE2 4.49Å; I1033-F1066 HydrophobicContact CG2-CZ 3.61Å; F1038-F1066 HydrophobicContact CE1-CB 3.75Å; F1038-F1066 HydrophobicContact CE1-CD1 4.38Å; F1038-F1066 HydrophobicContact CE1-CG 4.17Å; F1038-F1066 HydrophobicContact CZ-CB 3.82Å; F1038-F1066 AromaticContact CZ-CD1 3.69Å; F1038-F1066 HydrophobicContact CZ-CD1 3.69Å; F1038-F1066 HydrophobicContact CZ-CE1 4.48Å; F1038-F1066 AromaticContact CZ-CG 3.93Å; F1038-F1066 HydrophobicContact CZ-CG 3.93Å; L1062-F1066 WeakPolarHBondContact O-CB 3.41Å; L1062-F1066 PolarHBondContact O-N 3.38Å; E1063-F1066 PolarHBondContact O-N 3.25Å; E1063-F1066 VanDerWaalsContact O-N 3.15Å; F1066-Y1070 AromaticContact CE2-CD1 3.96Å; F1066-Y1070 HydrophobicContact CE2-CD1 3.96Å; F1066-Y1070 HydrophobicContact CE2-CG 4.29Å; F1066-Y1070 WeakPolarHBondContact O-CB 3.43Å; F1066-Y1070 PolarHBondContact O-N 3.03Å; F1066-Y1070 VanDerWaalsContact O-N 3.15Å; F1066-K1071 HydrophobicContact CE1-CB 4.3Å; F1066-K1071 HydrophobicContact CE1-CD 4.04Å; F1066-K1071 PolarHBondContact O-N 3.08Å |
| 1067 | R | 80.1 | Confident | 78.5 | Confident | 75 Ų | 75 | 29.7 Ų | 29.7 | 28% | 0.283 | 14% | 0.135 | S | C | . | . | I | π-helix | trans | -61.1 | -49.7 | 179.5 | -73.9 | 178.2 | -179.2 | -171.5 | 9.7 | 111.7 | E1063 Q1064 R1072 | E1063-R1067 VanDerWaalsContact CD-NE 3.34Å; E1063-R1067 HydrophobicContact CG-CG 4.1Å; E1063-R1067 WeakPolarHBondContact O-CG 3.26Å; E1063-R1067 PolarHBondContact O-N 2.92Å; E1063-R1067 IonicContact OE1-CZ 2.94Å; E1063-R1067 VanDerWaalsContact OE1-CZ 3.24Å; E1063-R1067 IonicContact OE1-NE 3.61Å; E1063-R1067 PolarHBondContact OE1-NE 3.04Å; E1063-R1067 IonicContact OE1-NH2 3.75Å; E1063-R1067 PolarHBondContact OE1-NH2 2.86Å; E1063-R1067 IonicContact OE2-NH2 2.68Å; E1063-R1067 PolarHBondContact OE2-NH2 3.34Å; Q1064-R1067 PolarHBondContact O-N 3.02Å; R1067-R1072 VanDerWaalsContact O-CB 3.3Å; R1067-R1072 WeakPolarHBondContact O-CB 3.39Å; R1067-R1072 PolarHBondContact O-N 3.04Å |
| 1068 | S | 68.5 | Low | 79.9 | Confident | 13 Ų | 13 | 27.9 Ų | 27.9 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -76.8 | -49.6 | -175.5 | 65 | 0 | 0 | 0 | 0 | 112.9 | C277 Q1064 R1065 | C277-S1068 VanDerWaalsContact SG-CB 3.5Å; C277-S1068 PolarHBondContact SG-OG 3.47Å; Q1064-S1068 WeakPolarHBondContact O-CB 3.47Å; Q1064-S1068 PolarHBondContact O-N 3.15Å; Q1064-S1068 PolarHBondContact O-OG 3.49Å; R1065-S1068 PolarHBondContact O-OG 3.49Å |
| 1069 | V | 74.2 | Confident | 80.9 | Confident | 22 Ų | 22 | 27.7 Ų | 27.7 | 13% | 0.133 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -81.3 | -36.2 | -170.5 | -174 | 0 | 0 | 0 | 0 | 112.3 | D280 L949 R1065 R1073 | D280-V1069 VanDerWaalsContact OD2-CG1 3.27Å; D280-V1069 WeakPolarHBondContact OD2-CG1 3.1Å; D280-V1069 WeakPolarHBondContact OD2-CG2 3.37Å; L949-V1069 HydrophobicContact CD2-CG1 4.48Å; R1065-V1069 HydrophobicContact CG-CG2 4.02Å; R1065-V1069 WeakPolarHBondContact O-CB 3.28Å; R1065-V1069 VanDerWaalsContact O-CG2 3.24Å; R1065-V1069 WeakPolarHBondContact O-CG2 3.36Å; R1065-V1069 PolarHBondContact O-N 3.03Å; V1069-R1073 WeakPolarHBondContact O-CD 3.35Å; V1069-R1073 WeakPolarHBondContact O-CG 3.28Å; V1069-R1073 PolarHBondContact O-NE 3.09Å |
| 1070 | Y | 84.4 | Confident | 81.5 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -104.9 | -67.3 | -179.7 | -162.4 | -89.8 | 0 | 0 | 0 | 112.1 | L949 L951 Y957 H999 R1030 I1033 F1066 R1072 R1073 V1074 | L949-Y1070 HydrophobicContact CD2-CD2 4.16Å; L951-Y1070 HydrophobicContact CD1-CE2 4.25Å; L951-Y1070 HydrophobicContact CD2-CD1 4.19Å; L951-Y1070 HydrophobicContact CD2-CD2 3.53Å; L951-Y1070 HydrophobicContact CD2-CE1 4.27Å; L951-Y1070 HydrophobicContact CD2-CE2 3.6Å; L951-Y1070 HydrophobicContact CD2-CG 3.83Å; Y957-Y1070 HydrophobicContact CE1-CE1 4.2Å; H999-Y1070 HydrophobicContact CB-CD2 3.78Å; H999-Y1070 HydrophobicContact CB-CE2 4.18Å; H999-Y1070 HydrophobicContact CB-CG 4.39Å; H999-Y1070 AromaticContact CD2-CD2 3.61Å; H999-Y1070 AromaticContact CG-CD2 3.54Å; H999-Y1070 AromaticContact CG-CE2 3.9Å; H999-Y1070 AromaticContact ND1-CE2 3.97Å; R1030-Y1070 PolarHBondContact NH1-OH 2.93Å; I1033-Y1070 HydrophobicContact CD1-CD1 4.24Å; I1033-Y1070 HydrophobicContact CD1-CE1 4.19Å; I1033-Y1070 HydrophobicContact CG2-CD1 4.46Å; I1033-Y1070 HydrophobicContact CG2-CE1 4.45Å; F1066-Y1070 AromaticContact CE2-CD1 3.96Å; F1066-Y1070 HydrophobicContact CE2-CD1 3.96Å; F1066-Y1070 HydrophobicContact CE2-CG 4.29Å; F1066-Y1070 WeakPolarHBondContact O-CB 3.43Å; F1066-Y1070 PolarHBondContact O-N 3.03Å; F1066-Y1070 VanDerWaalsContact O-N 3.15Å; Y1070-R1072 PolarHBondContact O-N 2.98Å; Y1070-R1073 PolarHBondContact O-N 2.69Å; Y1070-V1074 HydrophobicContact CD1-CG2 4.23Å; Y1070-V1074 HydrophobicContact CE1-CG2 4.11Å; Y1070-V1074 WeakPolarHBondContact O-CG2 3.47Å; Y1070-V1074 PolarHBondContact O-N 2.92Å |
| 1071 | K | 87.2 | Confident | 82.5 | Confident | 44 Ų | 44 | 24.7 Ų | 24.7 | 19% | 0.191 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -60 | -54 | -164.1 | -172.6 | 162.1 | 177.3 | 158.6 | 0 | 112.7 | I1033 N1035 F1066 R1073 V1074 Q1075 | I1033-K1071 HydrophobicContact CB-CD 4.37Å; I1033-K1071 HydrophobicContact CB-CG 4.18Å; I1033-K1071 HydrophobicContact CD1-CB 4.45Å; I1033-K1071 HydrophobicContact CD1-CG 4.21Å; I1033-K1071 HydrophobicContact CG2-CD 4.48Å; I1033-K1071 HydrophobicContact CG2-CG 4.44Å; I1033-K1071 WeakPolarHBondContact O-CE 3.07Å; I1033-K1071 PolarHBondContact O-NZ 3.35Å; N1035-K1071 PolarHBondContact OD1-NZ 3.12Å; F1066-K1071 HydrophobicContact CE1-CB 4.3Å; F1066-K1071 HydrophobicContact CE1-CD 4.04Å; F1066-K1071 PolarHBondContact O-N 3.08Å; K1071-R1073 PolarHBondContact O-N 3.03Å; K1071-V1074 PolarHBondContact O-N 3.49Å; K1071-Q1075 WeakPolarHBondContact O-CB 3.49Å; K1071-Q1075 WeakPolarHBondContact O-CG 3.3Å; K1071-Q1075 PolarHBondContact O-N 3.4Å |
| 1072 | R | 78 | Confident | 83.6 | Confident | 49 Ų | 49 | 23.7 Ų | 23.7 | 19% | 0.185 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | -179.9 | -173.1 | 174.5 | -65.8 | 122.5 | 14.5 | 112.4 | E295 R1067 Y1070 Y1076 | E295-R1072 IonicContact OE1-CZ 2.59Å; E295-R1072 IonicContact OE1-NH1 2.65Å; E295-R1072 IonicContact OE1-NH2 3.32Å; E295-R1072 PolarHBondContact OE1-NH2 3.21Å; E295-R1072 IonicContact OE2-CZ 2.76Å; E295-R1072 VanDerWaalsContact OE2-CZ 3.27Å; E295-R1072 IonicContact OE2-NH1 3.43Å; E295-R1072 PolarHBondContact OE2-NH1 3.31Å; E295-R1072 IonicContact OE2-NH2 2.72Å; E295-R1072 PolarHBondContact OE2-NH2 3.33Å; R1067-R1072 VanDerWaalsContact O-CB 3.3Å; R1067-R1072 WeakPolarHBondContact O-CB 3.39Å; R1067-R1072 PolarHBondContact O-N 3.04Å; Y1070-R1072 PolarHBondContact O-N 2.98Å; R1072-Y1076 WeakPolarHBondContact O-CB 3.48Å; R1072-Y1076 PolarHBondContact O-N 3.34Å |
| 1073 | R | 80.6 | Confident | 84.1 | Confident | 31 Ų | 31 | 25 Ų | 25 | 12% | 0.117 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -47 | 178.9 | -63 | -163.6 | -168.5 | -163.5 | 6.7 | 111.8 | D280 H999 E1000 V1069 Y1070 K1071 R1077 | D280-R1073 PolarHBondContact O-NH2 3.32Å; D280-R1073 IonicContact OD1-NH2 3.6Å; D280-R1073 IonicContact OD2-CZ 2.78Å; D280-R1073 IonicContact OD2-NH2 2.76Å; D280-R1073 PolarHBondContact OD2-NH2 3.23Å; H999-R1073 WeakPolarHBondContact O-CD 3.49Å; H999-R1073 PolarHBondContact O-NH1 3.17Å; E1000-R1073 PolarHBondContact O-NH1 3.48Å; V1069-R1073 WeakPolarHBondContact O-CD 3.35Å; V1069-R1073 WeakPolarHBondContact O-CG 3.28Å; V1069-R1073 PolarHBondContact O-NE 3.09Å; Y1070-R1073 PolarHBondContact O-N 2.69Å; K1071-R1073 PolarHBondContact O-N 3.03Å; R1073-R1077 WeakPolarHBondContact O-CB 3.41Å; R1073-R1077 VanDerWaalsContact O-CG 3.27Å; R1073-R1077 WeakPolarHBondContact O-CG 3.44Å; R1073-R1077 PolarHBondContact O-N 3.21Å |
| 1074 | V | 88.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.5 | -49 | 179.1 | 174.6 | 0 | 0 | 0 | 0 | 111 | H999 R1030 I1033 Y1070 K1071 Y1076 R1077 V1078 | H999-V1074 HydrophobicContact CB-CG2 3.95Å; R1030-V1074 HydrophobicContact CG-CG1 4.02Å; I1033-V1074 HydrophobicContact CD1-CB 3.77Å; I1033-V1074 HydrophobicContact CD1-CG1 3.79Å; I1033-V1074 HydrophobicContact CD1-CG2 4.47Å; Y1070-V1074 HydrophobicContact CD1-CG2 4.23Å; Y1070-V1074 HydrophobicContact CE1-CG2 4.11Å; Y1070-V1074 WeakPolarHBondContact O-CG2 3.47Å; Y1070-V1074 PolarHBondContact O-N 2.92Å; K1071-V1074 PolarHBondContact O-N 3.49Å; V1074-Y1076 VanDerWaalsContact C-N 3.35Å; V1074-Y1076 PolarHBondContact O-N 2.94Å; V1074-R1077 CarbonylContact O-C 3.56Å; V1074-R1077 PolarHBondContact O-N 2.89Å; V1074-R1077 VanDerWaalsContact O-N 3.08Å; V1074-V1078 HydrophobicContact CG1-CG2 4.36Å; V1074-V1078 WeakPolarHBondContact O-CG2 3.47Å; V1074-V1078 PolarHBondContact O-N 3.43Å |
| 1075 | Q | 90.7 | Very high | 85.5 | Confident | 33 Ų | 33 | 24.2 Ų | 24.2 | 15% | 0.154 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 179.2 | -76.2 | -178.1 | -31.7 | 0 | 0 | 112.5 | F1031 I1033 K1071 V1078 L1079 L1118 | F1031-Q1075 HydrophobicContact CD1-CG 4.39Å; F1031-Q1075 HydrophobicContact CD2-CB 3.82Å; F1031-Q1075 HydrophobicContact CD2-CG 3.76Å; F1031-Q1075 HydrophobicContact CE1-CG 4.38Å; F1031-Q1075 HydrophobicContact CE2-CB 3.54Å; F1031-Q1075 HydrophobicContact CE2-CG 3.75Å; F1031-Q1075 HydrophobicContact CG-CG 4.08Å; F1031-Q1075 HydrophobicContact CZ-CB 4.14Å; F1031-Q1075 HydrophobicContact CZ-CG 4.06Å; F1031-Q1075 WeakPolarHBondContact O-CG 3.45Å; F1031-Q1075 PolarHBondContact O-NE2 3.19Å; I1033-Q1075 HydrophobicContact CD1-CG 4.37Å; K1071-Q1075 WeakPolarHBondContact O-CB 3.49Å; K1071-Q1075 WeakPolarHBondContact O-CG 3.3Å; K1071-Q1075 PolarHBondContact O-N 3.4Å; Q1075-V1078 PolarHBondContact O-N 3.09Å; Q1075-L1079 PolarHBondContact O-N 2.84Å; Q1075-L1118 HydrophobicContact CB-CD1 4.2Å |
| 1076 | Y | 84.7 | Confident | 86.4 | Confident | 70 Ų | 70 | 21.6 Ų | 21.6 | 28% | 0.275 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 174.1 | 178.1 | -90.8 | 0 | 0 | 0 | 112.3 | R287 R1072 V1074 L1079 N1080 L1118 N1121 | R287-Y1076 VanDerWaalsContact NH1-CE1 3.27Å; R1072-Y1076 WeakPolarHBondContact O-CB 3.48Å; R1072-Y1076 PolarHBondContact O-N 3.34Å; V1074-Y1076 VanDerWaalsContact C-N 3.35Å; V1074-Y1076 PolarHBondContact O-N 2.94Å; Y1076-L1079 PolarHBondContact O-N 2.88Å; Y1076-N1080 WeakPolarHBondContact CE1-ND2 3.36Å; Y1076-N1080 VanDerWaalsContact CZ-ND2 3.34Å; Y1076-N1080 PolarHBondContact O-N 3.37Å; Y1076-N1080 PolarHBondContact OH-ND2 2.95Å; Y1076-L1118 HydrophobicContact CD2-CD2 4.24Å; Y1076-N1121 WeakPolarHBondContact CD2-ND2 3.39Å; Y1076-N1121 WeakPolarHBondContact CE2-ND2 3.25Å |
| 1077 | R | 87.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.7 | -31 | 179.3 | -72.6 | 169.7 | 176.2 | 173.2 | 0.3 | 112.6 | D284 Y998 H999 E1000 Y1001 F1002 R1073 V1074 N1080 F1081 | D284-R1077 IonicContact OD1-NH2 2.98Å; D284-R1077 IonicContact OD2-CZ 3.9Å; D284-R1077 IonicContact OD2-NH2 3.88Å; D284-R1077 PolarHBondContact OD2-NH2 2.88Å; Y998-R1077 WeakPolarHBondContact O-CD 3.48Å; Y998-R1077 PolarHBondContact O-NH1 3.12Å; H999-R1077 PolarHBondContact O-NH1 2.84Å; E1000-R1077 VanDerWaalsContact C-NH1 3.26Å; E1000-R1077 PolarHBondContact O-NH1 2.96Å; E1000-R1077 PolarHBondContact O-NH2 3.13Å; Y1001-R1077 PolarHBondContact O-NH1 2.77Å; F1002-R1077 HydrophobicContact CB-CG 4.46Å; F1002-R1077 HydrophobicContact CD2-CB 4.03Å; F1002-R1077 HydrophobicContact CD2-CG 3.75Å; F1002-R1077 HydrophobicContact CE2-CB 4.15Å; F1002-R1077 HydrophobicContact CE2-CG 4.23Å; F1002-R1077 HydrophobicContact CG-CG 4.26Å; R1073-R1077 WeakPolarHBondContact O-CB 3.41Å; R1073-R1077 VanDerWaalsContact O-CG 3.27Å; R1073-R1077 WeakPolarHBondContact O-CG 3.44Å; R1073-R1077 PolarHBondContact O-N 3.21Å; V1074-R1077 CarbonylContact O-C 3.56Å; V1074-R1077 PolarHBondContact O-N 2.89Å; V1074-R1077 VanDerWaalsContact O-N 3.08Å; R1077-N1080 PolarHBondContact O-N 3.41Å; R1077-F1081 PolarHBondContact O-N 3.14Å |
| 1078 | V | 94 | Very high | 86.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 166.9 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | T997 L1027 R1030 F1031 V1074 Q1075 N1080 F1081 I1082 | T997-V1078 HydrophobicContact CG2-CB 4.47Å; T997-V1078 HydrophobicContact CG2-CG2 3.77Å; L1027-V1078 HydrophobicContact CB-CG1 4.22Å; L1027-V1078 HydrophobicContact CD2-CG1 4.25Å; R1030-V1078 HydrophobicContact CB-CG2 4.17Å; R1030-V1078 HydrophobicContact CG-CG2 3.71Å; F1031-V1078 HydrophobicContact CB-CG1 4.19Å; F1031-V1078 HydrophobicContact CD2-CB 4.24Å; F1031-V1078 HydrophobicContact CD2-CG1 4.18Å; V1074-V1078 HydrophobicContact CG1-CG2 4.36Å; V1074-V1078 WeakPolarHBondContact O-CG2 3.47Å; V1074-V1078 PolarHBondContact O-N 3.43Å; Q1075-V1078 PolarHBondContact O-N 3.09Å; V1078-N1080 VanDerWaalsContact C-N 3.31Å; V1078-N1080 PolarHBondContact O-N 3.4Å; V1078-F1081 VanDerWaalsContact O-CB 3.27Å; V1078-F1081 WeakPolarHBondContact O-CB 3.33Å; V1078-F1081 PolarHBondContact O-N 3.45Å; V1078-I1082 HydrophobicContact CG1-CD1 4.09Å; V1078-I1082 WeakPolarHBondContact O-CG1 3.49Å; V1078-I1082 PolarHBondContact O-N 2.88Å |
| 1079 | L | 91 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.6 | -34.7 | 178 | -68.7 | 177.4 | 0 | 0 | 0 | 112.1 | F1031 Q1075 Y1076 I1082 I1083 F1109 V1113 L1118 N1121 V1122 I1125 | F1031-L1079 HydrophobicContact CD2-CG 4.44Å; F1031-L1079 HydrophobicContact CE2-CD1 3.99Å; F1031-L1079 HydrophobicContact CE2-CD2 4.34Å; F1031-L1079 HydrophobicContact CE2-CG 3.91Å; Q1075-L1079 PolarHBondContact O-N 2.84Å; Y1076-L1079 PolarHBondContact O-N 2.88Å; L1079-I1082 PolarHBondContact O-N 3.44Å; L1079-I1083 VanDerWaalsContact O-CG1 3.29Å; L1079-I1083 WeakPolarHBondContact O-CG1 3.48Å; L1079-I1083 PolarHBondContact O-N 3.13Å; L1079-F1109 HydrophobicContact CD2-CE1 4.03Å; L1079-F1109 HydrophobicContact CD2-CZ 4.32Å; L1079-V1113 HydrophobicContact CD1-CG1 4.44Å; L1079-L1118 HydrophobicContact CD1-CB 3.8Å; L1079-L1118 HydrophobicContact CD1-CD1 3.92Å; L1079-L1118 HydrophobicContact CD1-CD2 4.21Å; L1079-L1118 HydrophobicContact CD1-CG 4.19Å; L1079-N1121 HydrophobicContact CB-CB 3.99Å; L1079-N1121 HydrophobicContact CD1-CB 3.95Å; L1079-V1122 HydrophobicContact CD1-CG2 4.39Å; L1079-I1125 HydrophobicContact CD2-CD1 3.96Å |
| 1080 | N | 85.9 | Confident | 88.2 | Confident | 35 Ų | 35 | 27.2 Ų | 27.2 | 19% | 0.187 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.7 | -35.1 | 172.8 | -80.3 | 17.2 | 0 | 0 | 0 | 113 | F1002 Y1076 R1077 V1078 I1082 K1084 N1121 | F1002-N1080 HydrophobicContact CZ-CB 4.36Å; Y1076-N1080 WeakPolarHBondContact CE1-ND2 3.36Å; Y1076-N1080 VanDerWaalsContact CZ-ND2 3.34Å; Y1076-N1080 PolarHBondContact O-N 3.37Å; Y1076-N1080 PolarHBondContact OH-ND2 2.95Å; R1077-N1080 PolarHBondContact O-N 3.41Å; V1078-N1080 VanDerWaalsContact C-N 3.31Å; V1078-N1080 PolarHBondContact O-N 3.4Å; N1080-I1082 VanDerWaalsContact C-N 3.35Å; N1080-K1084 WeakPolarHBondContact O-CB 3.39Å; N1080-K1084 PolarHBondContact O-N 3.25Å; N1080-N1121 PolarHBondContact OD1-ND2 3.14Å; N1080-N1121 VanDerWaalsContact OD1-ND2 3.11Å |
| 1081 | F | 93.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56 | -51.9 | 168.7 | -173.2 | -61.8 | 0 | 0 | 0 | 109.7 | M996 T997 L1007 F1010 L1011 L1023 L1027 R1077 V1078 K1084 W1085 | M996-F1081 HydrophobicContact CB-CD2 4.14Å; M996-F1081 HydrophobicContact CB-CE2 4.12Å; M996-F1081 HydrophobicContact CG-CE2 4.21Å; T997-F1081 HydrophobicContact CG2-CD2 4.45Å; L1007-F1081 HydrophobicContact CD1-CB 4.48Å; L1007-F1081 HydrophobicContact CD1-CD2 3.22Å; L1007-F1081 HydrophobicContact CD1-CE2 3.39Å; L1007-F1081 HydrophobicContact CD1-CG 3.83Å; L1007-F1081 HydrophobicContact CD1-CZ 4.13Å; F1010-F1081 AromaticContact CD1-CE2 3.95Å; F1010-F1081 HydrophobicContact CD1-CE2 3.95Å; F1010-F1081 AromaticContact CD1-CZ 3.67Å; F1010-F1081 HydrophobicContact CD1-CZ 3.67Å; F1010-F1081 HydrophobicContact CE1-CE2 4.16Å; F1010-F1081 AromaticContact CE1-CZ 3.7Å; F1010-F1081 HydrophobicContact CE1-CZ 3.7Å; L1011-F1081 HydrophobicContact CD2-CD1 4.4Å; L1011-F1081 HydrophobicContact CD2-CE1 3.64Å; L1011-F1081 HydrophobicContact CD2-CZ 3.91Å; L1011-F1081 HydrophobicContact CG-CZ 4.49Å; L1023-F1081 HydrophobicContact CD1-CZ 4.14Å; L1023-F1081 HydrophobicContact CD2-CE1 4.22Å; L1023-F1081 HydrophobicContact CD2-CZ 4.18Å; L1027-F1081 HydrophobicContact CD1-CD1 3.68Å; L1027-F1081 HydrophobicContact CD1-CE1 3.66Å; L1027-F1081 HydrophobicContact CD1-CG 4.33Å; L1027-F1081 HydrophobicContact CD1-CZ 4.26Å; L1027-F1081 HydrophobicContact CD2-CD1 4.34Å; L1027-F1081 HydrophobicContact CD2-CD2 4.21Å; L1027-F1081 HydrophobicContact CD2-CE2 4.48Å; L1027-F1081 HydrophobicContact CD2-CG 4.17Å; R1077-F1081 PolarHBondContact O-N 3.14Å; V1078-F1081 VanDerWaalsContact O-CB 3.27Å; V1078-F1081 WeakPolarHBondContact O-CB 3.33Å; V1078-F1081 PolarHBondContact O-N 3.45Å; F1081-K1084 PolarHBondContact O-N 2.89Å; F1081-W1085 HydrophobicContact CE1-CE3 4.49Å; F1081-W1085 WeakPolarHBondContact O-CB 3.47Å; F1081-W1085 PolarHBondContact O-N 3.33Å |
| 1082 | I | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | -178 | -64.3 | 169.8 | 0 | 0 | 0 | 111.6 | L1027 V1078 L1079 N1080 K1084 W1085 V1086 L1106 F1109 I1125 | L1027-I1082 HydrophobicContact CD1-CG1 4.39Å; V1078-I1082 HydrophobicContact CG1-CD1 4.09Å; V1078-I1082 WeakPolarHBondContact O-CG1 3.49Å; V1078-I1082 PolarHBondContact O-N 2.88Å; L1079-I1082 PolarHBondContact O-N 3.44Å; N1080-I1082 VanDerWaalsContact C-N 3.35Å; I1082-K1084 VanDerWaalsContact C-N 3.31Å; I1082-K1084 PolarHBondContact O-N 3.26Å; I1082-W1085 PolarHBondContact O-N 2.86Å; I1082-V1086 HydrophobicContact CG2-CG2 4.08Å; I1082-V1086 VanDerWaalsContact O-CG2 3.29Å; I1082-V1086 WeakPolarHBondContact O-CG2 3.39Å; I1082-V1086 PolarHBondContact O-N 3.07Å; I1082-L1106 HydrophobicContact CD1-CD1 4.44Å; I1082-L1106 HydrophobicContact CG2-CD1 3.79Å; I1082-L1106 HydrophobicContact CG2-CD2 4.44Å; I1082-F1109 HydrophobicContact CD1-CD1 4.41Å; I1082-F1109 HydrophobicContact CD1-CE1 3.8Å; I1082-I1125 HydrophobicContact CB-CD1 4.13Å; I1082-I1125 HydrophobicContact CG2-CD1 3.71Å; I1082-I1125 HydrophobicContact CG2-CG1 4.09Å; I1082-I1125 HydrophobicContact CG2-CG2 4Å |
| 1083 | I | 89.9 | Confident | 88.9 | Confident | 30 Ų | 30 | 28.9 Ų | 28.9 | 15% | 0.154 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.7 | -49.4 | 173 | -71.8 | 163.4 | 0 | 0 | 0 | 110.1 | L1079 W1085 V1086 K1087 N1121 I1125 | L1079-I1083 VanDerWaalsContact O-CG1 3.29Å; L1079-I1083 WeakPolarHBondContact O-CG1 3.48Å; L1079-I1083 PolarHBondContact O-N 3.13Å; I1083-W1085 VanDerWaalsContact C-N 3.31Å; I1083-W1085 PolarHBondContact O-N 3.37Å; I1083-V1086 PolarHBondContact O-N 2.96Å; I1083-K1087 HydrophobicContact CG2-CD 4.48Å; I1083-K1087 WeakPolarHBondContact O-CB 3.48Å; I1083-K1087 PolarHBondContact O-N 2.77Å; I1083-N1121 HydrophobicContact CD1-CB 3.81Å; I1083-I1125 HydrophobicContact CB-CG1 4.44Å; I1083-I1125 HydrophobicContact CG1-CD1 3.95Å; I1083-I1125 HydrophobicContact CG1-CG1 3.46Å; I1083-I1125 VanDerWaalsContact CG1-CG1 3.46Å |
| 1084 | K | 89.6 | Confident | 89.3 | Confident | 43 Ų | 43 | 29.7 Ų | 29.7 | 19% | 0.187 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.3 | -36.4 | -178.5 | -167.2 | -178.9 | 179.4 | -169.8 | 0 | 112.1 | N1004 L1007 N1008 L1011 N1080 F1081 I1082 N1088 | N1004-K1084 PolarHBondContact O-NZ 3.38Å; N1004-K1084 WeakPolarHBondContact OD1-CE 3.41Å; N1004-K1084 PolarHBondContact OD1-NZ 3.48Å; L1007-K1084 HydrophobicContact CD2-CD 3.6Å; L1007-K1084 HydrophobicContact CG-CD 3.95Å; N1008-K1084 WeakPolarHBondContact OD1-CE 3.48Å; N1008-K1084 PolarHBondContact OD1-NZ 2.95Å; L1011-K1084 HydrophobicContact CD1-CB 4.35Å; L1011-K1084 HydrophobicContact CD1-CD 4Å; L1011-K1084 HydrophobicContact CD1-CG 4.04Å; N1080-K1084 WeakPolarHBondContact O-CB 3.39Å; N1080-K1084 PolarHBondContact O-N 3.25Å; F1081-K1084 PolarHBondContact O-N 2.89Å; I1082-K1084 VanDerWaalsContact C-N 3.31Å; I1082-K1084 PolarHBondContact O-N 3.26Å; K1084-N1088 PolarHBondContact O-N 2.85Å |
| 1085 | W | 93.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -47.9 | 176.1 | -170.6 | 20.7 | 0 | 0 | 0 | 112.2 | L1011 Y1014 S1020 L1023 L1024 F1081 I1082 I1083 Y1091 D1095 I1096 L1102 | L1011-W1085 HydrophobicContact CD2-CB 4.01Å; L1011-W1085 HydrophobicContact CD2-CG 3.93Å; Y1014-W1085 WeakPolarHBondContact OH-CZ2 3.15Å; S1020-W1085 WeakPolarHBondContact O-CH2 3.45Å; L1023-W1085 HydrophobicContact CD2-CH2 4.32Å; L1023-W1085 HydrophobicContact CD2-CZ2 4.43Å; L1024-W1085 HydrophobicContact CB-CZ3 4.39Å; F1081-W1085 HydrophobicContact CE1-CE3 4.49Å; F1081-W1085 WeakPolarHBondContact O-CB 3.47Å; F1081-W1085 PolarHBondContact O-N 3.33Å; I1082-W1085 PolarHBondContact O-N 2.86Å; I1083-W1085 VanDerWaalsContact C-N 3.31Å; I1083-W1085 PolarHBondContact O-N 3.37Å; W1085-Y1091 WeakPolarHBondContact O-CB 3.23Å; W1085-D1095 HydrophobicContact CZ2-CB 4.13Å; W1085-D1095 PolarHBondContact NE1-OD2 2.84Å; W1085-I1096 HydrophobicContact CD2-CD1 4.23Å; W1085-I1096 HydrophobicContact CG-CD1 4.43Å; W1085-L1102 HydrophobicContact CH2-CD1 4.13Å; W1085-L1102 HydrophobicContact CH2-CD2 4.26Å; W1085-L1102 HydrophobicContact CZ2-CD2 4.28Å |
| 1086 | V | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -79.6 | -36.8 | -176.3 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | I1082 I1083 Y1092 I1096 L1106 I1125 L1129 R1133 | I1082-V1086 HydrophobicContact CG2-CG2 4.08Å; I1082-V1086 VanDerWaalsContact O-CG2 3.29Å; I1082-V1086 WeakPolarHBondContact O-CG2 3.39Å; I1082-V1086 PolarHBondContact O-N 3.07Å; I1083-V1086 PolarHBondContact O-N 2.96Å; V1086-Y1092 HydrophobicContact CG1-CD2 4.3Å; V1086-I1096 HydrophobicContact CB-CD1 4.39Å; V1086-I1096 HydrophobicContact CG2-CD1 3.65Å; V1086-L1106 HydrophobicContact CG2-CD2 3.93Å; V1086-I1125 HydrophobicContact CG2-CG2 4.23Å; V1086-L1129 HydrophobicContact CG1-CD2 3.59Å; V1086-L1129 HydrophobicContact CG1-CG 3.86Å; V1086-L1129 HydrophobicContact CG2-CD2 4.2Å; V1086-R1133 PolarHBondContact O-NE 3.19Å |
| 1087 | K | 88.3 | Confident | 89.6 | Confident | 126 Ų | 126 | 29.3 Ų | 29.3 | 55% | 0.548 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -73.4 | -28.1 | -176.1 | -172.2 | 175 | -179.1 | 176.3 | 0 | 112.7 | I1083 S1089 | I1083-K1087 HydrophobicContact CG2-CD 4.48Å; I1083-K1087 WeakPolarHBondContact O-CB 3.48Å; I1083-K1087 PolarHBondContact O-N 2.77Å; K1087-S1089 PolarHBondContact O-N 3.19Å |
| 1088 | N | 87 | Confident | 89.7 | Confident | 53 Ų | 53 | 33.5 Ų | 33.5 | 28% | 0.283 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -73.8 | 116.2 | 172.3 | -172.1 | -4.9 | 0 | 0 | 0 | 110.2 | K1084 S1090 Y1091 Y1092 | K1084-N1088 PolarHBondContact O-N 2.85Å; N1088-S1090 PolarHBondContact O-N 3.08Å; N1088-S1090 PolarHBondContact OD1-N 3.22Å; N1088-S1090 VanDerWaalsContact OD1-N 3.15Å; N1088-Y1091 HydrophobicContact CB-CD2 3.46Å; N1088-Y1091 VanDerWaalsContact CB-CD2 3.46Å; N1088-Y1091 HydrophobicContact CB-CE2 3.89Å; N1088-Y1091 HydrophobicContact CB-CG 4.11Å; N1088-Y1091 WeakPolarHBondContact ND2-CD2 3.46Å; N1088-Y1091 WeakPolarHBondContact ND2-CE2 3.4Å; N1088-Y1091 PolarHBondContact O-N 3.34Å; N1088-Y1092 PolarHBondContact O-N 2.88Å |
| 1089 | S | 84.5 | Confident | 89.6 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.6 | -37.4 | 179.5 | -159.9 | 0 | 0 | 0 | 0 | 113 | K1087 K1093 | K1087-S1089 PolarHBondContact O-N 3.19Å; S1089-K1093 WeakPolarHBondContact O-CB 3.44Å; S1089-K1093 WeakPolarHBondContact O-CG 3.49Å; S1089-K1093 PolarHBondContact O-N 3.13Å |
| 1090 | S | 85.2 | Confident | 89.7 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.3 | -54.2 | -178.9 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | N1088 Y1092 K1093 L1094 E1185 W1187 | N1088-S1090 PolarHBondContact O-N 3.08Å; N1088-S1090 PolarHBondContact OD1-N 3.22Å; N1088-S1090 VanDerWaalsContact OD1-N 3.15Å; S1090-Y1092 VanDerWaalsContact C-N 3.31Å; S1090-Y1092 PolarHBondContact O-N 3.4Å; S1090-K1093 PolarHBondContact O-N 2.82Å; S1090-L1094 PolarHBondContact O-N 3.49Å; S1090-E1185 WeakPolarHBondContact CB-OE2 3.28Å; S1090-E1185 PolarHBondContact OG-OE2 3.46Å; S1090-W1187 WeakPolarHBondContact O-CZ3 3.4Å |
| 1091 | Y | 88.8 | Confident | 90.2 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 177 | -53 | -37.8 | 0 | 0 | 0 | 111.8 | L1011 L1012 W1085 N1088 L1094 D1095 F1186 | L1011-Y1091 HydrophobicContact CB-CD2 4.27Å; L1011-Y1091 HydrophobicContact CB-CE1 4.09Å; L1011-Y1091 HydrophobicContact CB-CE2 3.71Å; L1011-Y1091 HydrophobicContact CD1-CD2 4.22Å; L1011-Y1091 HydrophobicContact CD1-CE2 3.77Å; L1011-Y1091 HydrophobicContact CG-CE2 4.3Å; L1012-Y1091 HydrophobicContact CD1-CE1 4.48Å; L1012-Y1091 WeakPolarHBondContact CD1-OH 3.43Å; W1085-Y1091 WeakPolarHBondContact O-CB 3.23Å; N1088-Y1091 HydrophobicContact CB-CD2 3.46Å; N1088-Y1091 VanDerWaalsContact CB-CD2 3.46Å; N1088-Y1091 HydrophobicContact CB-CE2 3.89Å; N1088-Y1091 HydrophobicContact CB-CG 4.11Å; N1088-Y1091 WeakPolarHBondContact ND2-CD2 3.46Å; N1088-Y1091 WeakPolarHBondContact ND2-CE2 3.4Å; N1088-Y1091 PolarHBondContact O-N 3.34Å; Y1091-L1094 PolarHBondContact O-N 3.3Å; Y1091-D1095 WeakPolarHBondContact O-CB 2.97Å; Y1091-D1095 PolarHBondContact O-N 2.54Å; Y1091-F1186 HydrophobicContact CD1-CD1 4.35Å; Y1091-F1186 AromaticContact CD1-CE1 3.33Å; Y1091-F1186 HydrophobicContact CD1-CE1 3.33Å; Y1091-F1186 HydrophobicContact CD1-CE2 4.48Å; Y1091-F1186 AromaticContact CD1-CZ 3.44Å; Y1091-F1186 HydrophobicContact CD1-CZ 3.44Å; Y1091-F1186 VanDerWaalsContact CD1-CZ 3.44Å; Y1091-F1186 HydrophobicContact CE1-CD1 4.17Å; Y1091-F1186 AromaticContact CE1-CE1 3.52Å; Y1091-F1186 HydrophobicContact CE1-CE1 3.52Å; Y1091-F1186 HydrophobicContact CE1-CE2 4.34Å; Y1091-F1186 AromaticContact CE1-CZ 3.65Å; Y1091-F1186 HydrophobicContact CE1-CZ 3.65Å |
| 1092 | Y | 89.6 | Confident | 90.3 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -62.8 | -43.5 | 177.7 | 178.4 | -89.6 | 0 | 0 | 0 | 113.1 | V1086 N1088 S1090 L1094 I1096 L1097 L1129 R1133 | V1086-Y1092 HydrophobicContact CG1-CD2 4.3Å; N1088-Y1092 PolarHBondContact O-N 2.88Å; S1090-Y1092 VanDerWaalsContact C-N 3.31Å; S1090-Y1092 PolarHBondContact O-N 3.4Å; Y1092-L1094 VanDerWaalsContact C-N 3.25Å; Y1092-L1094 PolarHBondContact O-N 3.36Å; Y1092-I1096 HydrophobicContact CD2-CB 3.59Å; Y1092-I1096 HydrophobicContact CD2-CD1 4.28Å; Y1092-I1096 HydrophobicContact CD2-CG1 4.35Å; Y1092-I1096 HydrophobicContact CD2-CG2 3.84Å; Y1092-I1096 HydrophobicContact CE2-CB 3.82Å; Y1092-I1096 HydrophobicContact CE2-CG2 3.64Å; Y1092-I1096 HydrophobicContact CG-CB 4.31Å; Y1092-I1096 PolarHBondContact O-N 3.33Å; Y1092-L1097 HydrophobicContact CD1-CB 4.01Å; Y1092-L1097 HydrophobicContact CE1-CB 3.67Å; Y1092-L1097 HydrophobicContact CE1-CD1 4Å; Y1092-L1097 HydrophobicContact CE1-CD2 4.36Å; Y1092-L1097 HydrophobicContact CE1-CG 4.21Å; Y1092-L1097 WeakPolarHBondContact O-CB 3.36Å; Y1092-L1097 PolarHBondContact O-N 3.45Å; Y1092-L1129 HydrophobicContact CE2-CD2 4.28Å; Y1092-R1133 VanDerWaalsContact CG-CZ 3.47Å; Y1092-R1133 VanDerWaalsContact CZ-NH2 3.25Å |
| 1093 | K | 87.4 | Confident | 90.3 | Very high | 102 Ų | 102 | 46.4 Ų | 46.4 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -57.2 | -40.3 | 176.2 | -85.7 | -179.7 | 178.9 | -178 | 0 | 111.9 | S1089 S1090 P1098 E1185 W1187 | S1089-K1093 WeakPolarHBondContact O-CB 3.44Å; S1089-K1093 WeakPolarHBondContact O-CG 3.49Å; S1089-K1093 PolarHBondContact O-N 3.13Å; S1090-K1093 PolarHBondContact O-N 2.82Å; K1093-P1098 WeakPolarHBondContact O-CD 3.4Å; K1093-E1185 WeakPolarHBondContact CD-OE1 3.34Å; K1093-E1185 IonicContact NZ-OE1 3.71Å; K1093-E1185 PolarHBondContact NZ-OE1 2.8Å; K1093-W1187 HydrophobicContact CB-CH2 4.11Å; K1093-W1187 HydrophobicContact CD-CH2 4.35Å |
| 1094 | L | 87.9 | Confident | 90.5 | Very high | 48 Ų | 48 | 48 Ų | 48 | 25% | 0.251 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -80.1 | -42.5 | -175.2 | -176.9 | 63.3 | 0 | 0 | 0 | 112.7 | S1090 Y1091 Y1092 P1098 F1186 W1187 | S1090-L1094 PolarHBondContact O-N 3.49Å; Y1091-L1094 PolarHBondContact O-N 3.3Å; Y1092-L1094 VanDerWaalsContact C-N 3.25Å; Y1092-L1094 PolarHBondContact O-N 3.36Å; L1094-P1098 VanDerWaalsContact O-CG 3.23Å; L1094-P1098 WeakPolarHBondContact O-CG 3.43Å; L1094-F1186 HydrophobicContact CD2-CE2 4.48Å; L1094-F1186 HydrophobicContact CD2-CZ 3.95Å; L1094-W1187 HydrophobicContact CB-CD2 4.29Å; L1094-W1187 HydrophobicContact CB-CE3 3.94Å; L1094-W1187 HydrophobicContact CB-CH2 4.3Å; L1094-W1187 HydrophobicContact CB-CZ3 3.95Å; L1094-W1187 HydrophobicContact CD1-CB 4.41Å; L1094-W1187 HydrophobicContact CD1-CD2 3.91Å; L1094-W1187 HydrophobicContact CD1-CE3 4.4Å; L1094-W1187 HydrophobicContact CD1-CG 3.92Å; L1094-W1187 HydrophobicContact CD2-CB 3.71Å; L1094-W1187 HydrophobicContact CD2-CD2 3.8Å; L1094-W1187 HydrophobicContact CD2-CE3 3.65Å; L1094-W1187 HydrophobicContact CD2-CG 3.86Å; L1094-W1187 HydrophobicContact CD2-CZ3 4.45Å; L1094-W1187 HydrophobicContact CG-CD2 4.23Å; L1094-W1187 HydrophobicContact CG-CE3 4.23Å; L1094-W1187 HydrophobicContact CG-CG 4.47Å |
| 1095 | D | 90.5 | Very high | 90.9 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.032 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -104 | -48 | -167 | -53 | -28.4 | 0 | 0 | 0 | 112.9 | Y1014 R1015 W1085 Y1091 D1099 L1102 | Y1014-D1095 PolarHBondContact OH-OD1 3.35Å; Y1014-D1095 PolarHBondContact OH-OD2 3.26Å; R1015-D1095 IonicContact CZ-OD1 3.77Å; R1015-D1095 IonicContact CZ-OD2 2.79Å; R1015-D1095 IonicContact NE-OD1 2.71Å; R1015-D1095 PolarHBondContact NE-OD1 3.41Å; R1015-D1095 IonicContact NE-OD2 2.64Å; R1015-D1095 IonicContact NH2-OD1 2.7Å; R1015-D1095 PolarHBondContact NH2-OD1 3.11Å; R1015-D1095 IonicContact NH2-OD2 3.19Å; R1015-D1095 PolarHBondContact NH2-OD2 3.4Å; W1085-D1095 HydrophobicContact CZ2-CB 4.13Å; W1085-D1095 PolarHBondContact NE1-OD2 2.84Å; Y1091-D1095 WeakPolarHBondContact O-CB 2.97Å; Y1091-D1095 PolarHBondContact O-N 2.54Å; D1095-D1099 WeakPolarHBondContact O-CB 3.48Å; D1095-L1102 HydrophobicContact CB-CD2 4.48Å; D1095-L1102 WeakPolarHBondContact O-CD2 3.4Å |
| 1096 | I | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -103.6 | -25.6 | -161 | -48 | -175.9 | 0 | 0 | 0 | 112.5 | W1085 V1086 Y1092 D1099 L1102 R1103 L1129 | W1085-I1096 HydrophobicContact CD2-CD1 4.23Å; W1085-I1096 HydrophobicContact CG-CD1 4.43Å; V1086-I1096 HydrophobicContact CB-CD1 4.39Å; V1086-I1096 HydrophobicContact CG2-CD1 3.65Å; Y1092-I1096 HydrophobicContact CD2-CB 3.59Å; Y1092-I1096 HydrophobicContact CD2-CD1 4.28Å; Y1092-I1096 HydrophobicContact CD2-CG1 4.35Å; Y1092-I1096 HydrophobicContact CD2-CG2 3.84Å; Y1092-I1096 HydrophobicContact CE2-CB 3.82Å; Y1092-I1096 HydrophobicContact CE2-CG2 3.64Å; Y1092-I1096 HydrophobicContact CG-CB 4.31Å; Y1092-I1096 PolarHBondContact O-N 3.33Å; I1096-D1099 VanDerWaalsContact O-O 3.09Å; I1096-L1102 HydrophobicContact CG1-CD2 4.07Å; I1096-R1103 HydrophobicContact CG2-CB 4.27Å; I1096-R1103 HydrophobicContact CG2-CG 4.03Å; I1096-R1103 VanDerWaalsContact O-CZ 3.29Å; I1096-R1103 PolarHBondContact O-NE 3.04Å; I1096-R1103 PolarHBondContact O-NH2 3.43Å; I1096-L1129 HydrophobicContact CG2-CD2 3.98Å |
| 1097 | L | 89.1 | Confident | 91.1 | Very high | 90 Ų | 90 | 55.2 Ų | 55.2 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -43.7 | 173.6 | -174.8 | 57.1 | 0 | 0 | 0 | 114 | Y1092 R1103 | Y1092-L1097 HydrophobicContact CD1-CB 4.01Å; Y1092-L1097 HydrophobicContact CE1-CB 3.67Å; Y1092-L1097 HydrophobicContact CE1-CD1 4Å; Y1092-L1097 HydrophobicContact CE1-CD2 4.36Å; Y1092-L1097 HydrophobicContact CE1-CG 4.21Å; Y1092-L1097 WeakPolarHBondContact O-CB 3.36Å; Y1092-L1097 PolarHBondContact O-N 3.45Å; L1097-R1103 PolarHBondContact O-NH2 3.04Å |
| 1098 | P | 89.6 | Confident | 91.5 | Very high | 89 Ų | 89 | 53 Ų | 53 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -35.4 | 178.3 | 28.8 | -33.5 | 0 | 0 | 0 | 112.6 | K1093 L1094 | K1093-P1098 WeakPolarHBondContact O-CD 3.4Å; L1094-P1098 VanDerWaalsContact O-CG 3.23Å; L1094-P1098 WeakPolarHBondContact O-CG 3.43Å |
| 1099 | D | 91.9 | Very high | 92 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | trans | -87.3 | 114.3 | -179.6 | -167.2 | -23.8 | 0 | 0 | 0 | 111 | D1095 I1096 V1101 L1102 R1103 | D1095-D1099 WeakPolarHBondContact O-CB 3.48Å; I1096-D1099 VanDerWaalsContact O-O 3.09Å; D1099-V1101 WeakPolarHBondContact OD1-CA 3.21Å; D1099-V1101 WeakPolarHBondContact OD1-CB 3.49Å; D1099-V1101 PolarHBondContact OD1-N 2.84Å; D1099-L1102 HydrophobicContact CB-CB 3.79Å; D1099-L1102 HydrophobicContact CB-CD2 4.42Å; D1099-L1102 PolarHBondContact OD1-N 3.47Å; D1099-L1102 WeakPolarHBondContact OD2-CB 3.18Å; D1099-R1103 PolarHBondContact O-NH2 3.39Å; D1099-R1103 VanDerWaalsContact O-NH2 3.14Å | ||
| 1100 | T | 93.2 | Very high | 92.4 | Very high | 97 Ų | 97 | 49.3 Ų | 49.3 | 60% | 0.595 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -83.3 | -27.2 | 175.2 | 50 | 0 | 0 | 0 | 0 | 112.8 | S1104 | T1100-S1104 PolarHBondContact O-N 3.29Å |
| 1101 | V | 96.2 | Very high | 92.8 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -72.8 | -48.4 | 179.5 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | D1099 R1103 S1104 R1105 | D1099-V1101 WeakPolarHBondContact OD1-CA 3.21Å; D1099-V1101 WeakPolarHBondContact OD1-CB 3.49Å; D1099-V1101 PolarHBondContact OD1-N 2.84Å; V1101-R1103 PolarHBondContact O-N 3.26Å; V1101-S1104 PolarHBondContact O-N 2.97Å; V1101-R1105 VanDerWaalsContact O-CB 3.25Å; V1101-R1105 WeakPolarHBondContact O-CB 3.4Å; V1101-R1105 PolarHBondContact O-N 2.8Å |
| 1102 | L | 95.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.4 | -42.6 | 172.7 | -179.4 | 69.9 | 0 | 0 | 0 | 111.9 | S1020 L1021 L1024 W1085 D1095 I1096 D1099 L1106 | S1020-L1102 WeakPolarHBondContact O-CD1 3.22Å; L1021-L1102 HydrophobicContact CD1-CB 4.48Å; L1021-L1102 HydrophobicContact CD1-CD1 4.14Å; L1024-L1102 HydrophobicContact CB-CD1 3.81Å; L1024-L1102 HydrophobicContact CD2-CD1 3.66Å; L1024-L1102 HydrophobicContact CG-CD1 4.38Å; W1085-L1102 HydrophobicContact CH2-CD1 4.13Å; W1085-L1102 HydrophobicContact CH2-CD2 4.26Å; W1085-L1102 HydrophobicContact CZ2-CD2 4.28Å; D1095-L1102 HydrophobicContact CB-CD2 4.48Å; D1095-L1102 WeakPolarHBondContact O-CD2 3.4Å; I1096-L1102 HydrophobicContact CG1-CD2 4.07Å; D1099-L1102 HydrophobicContact CB-CB 3.79Å; D1099-L1102 HydrophobicContact CB-CD2 4.42Å; D1099-L1102 PolarHBondContact OD1-N 3.47Å; D1099-L1102 WeakPolarHBondContact OD2-CB 3.18Å; L1102-L1106 VanDerWaalsContact O-CB 3.25Å; L1102-L1106 WeakPolarHBondContact O-CB 3.38Å; L1102-L1106 PolarHBondContact O-N 3.09Å |
| 1103 | R | 94.2 | Very high | 93.1 | Very high | 68 Ų | 68 | 57 Ų | 57 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.4 | -39 | -178.3 | -159.2 | -172.9 | -43.6 | 133.4 | 24.2 | 112.7 | I1096 L1097 D1099 V1101 W1107 L1129 | I1096-R1103 HydrophobicContact CG2-CB 4.27Å; I1096-R1103 HydrophobicContact CG2-CG 4.03Å; I1096-R1103 VanDerWaalsContact O-CZ 3.29Å; I1096-R1103 PolarHBondContact O-NE 3.04Å; I1096-R1103 PolarHBondContact O-NH2 3.43Å; L1097-R1103 PolarHBondContact O-NH2 3.04Å; D1099-R1103 PolarHBondContact O-NH2 3.39Å; D1099-R1103 VanDerWaalsContact O-NH2 3.14Å; V1101-R1103 PolarHBondContact O-N 3.26Å; R1103-W1107 PolarHBondContact O-N 2.65Å; R1103-W1107 VanDerWaalsContact O-N 3.12Å; R1103-L1129 HydrophobicContact CG-CD2 4.35Å |
| 1104 | S | 95.3 | Very high | 92.6 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -52.3 | 171.6 | -164 | 0 | 0 | 0 | 0 | 110.1 | T1100 V1101 L1106 W1107 D1108 | T1100-S1104 PolarHBondContact O-N 3.29Å; V1101-S1104 PolarHBondContact O-N 2.97Å; S1104-L1106 PolarHBondContact O-N 2.92Å; S1104-W1107 CarbonylContact O-C 3.54Å; S1104-W1107 WeakPolarHBondContact O-CA 3.22Å; S1104-W1107 WeakPolarHBondContact O-CB 3.3Å; S1104-W1107 PolarHBondContact O-N 3.43Å; S1104-D1108 PolarHBondContact O-N 3.46Å; S1104-D1108 VanDerWaalsContact O-OD2 3.11Å |
| 1105 | R | 96.8 | Very high | 91.9 | Very high | 107 Ų | 107 | 57.4 Ų | 57.4 | 40% | 0.404 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.6 | -38.5 | -179.6 | -175.8 | 59.8 | 170.6 | 164.2 | -0.3 | 112.8 | L1021 L1024 D1025 V1101 F1109 | L1021-R1105 HydrophobicContact CD1-CB 4.39Å; L1021-R1105 HydrophobicContact CD1-CG 4.3Å; L1024-R1105 HydrophobicContact CD2-CB 3.95Å; L1024-R1105 HydrophobicContact CD2-CG 3.72Å; D1025-R1105 IonicContact OD1-CZ 3.59Å; D1025-R1105 VanDerWaalsContact OD1-CZ 3.23Å; D1025-R1105 IonicContact OD1-NE 2.65Å; D1025-R1105 PolarHBondContact OD1-NE 3.18Å; D1025-R1105 IonicContact OD1-NH2 2.66Å; D1025-R1105 PolarHBondContact OD1-NH2 3.07Å; V1101-R1105 VanDerWaalsContact O-CB 3.25Å; V1101-R1105 WeakPolarHBondContact O-CB 3.4Å; V1101-R1105 PolarHBondContact O-N 2.8Å; R1105-F1109 WeakPolarHBondContact O-CB 3.04Å; R1105-F1109 PolarHBondContact O-N 3.35Å; R1105-F1109 VanDerWaalsContact O-N 3.09Å |
| 1106 | L | 96.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 174.2 | 175.8 | 57.1 | 0 | 0 | 0 | 112 | L1024 I1082 V1086 L1102 S1104 F1109 L1110 L1129 | L1024-L1106 HydrophobicContact CD1-CB 4.49Å; L1024-L1106 HydrophobicContact CD1-CD1 3.95Å; L1024-L1106 HydrophobicContact CD2-CB 3.85Å; I1082-L1106 HydrophobicContact CD1-CD1 4.44Å; I1082-L1106 HydrophobicContact CG2-CD1 3.79Å; I1082-L1106 HydrophobicContact CG2-CD2 4.44Å; V1086-L1106 HydrophobicContact CG2-CD2 3.93Å; L1102-L1106 VanDerWaalsContact O-CB 3.25Å; L1102-L1106 WeakPolarHBondContact O-CB 3.38Å; L1102-L1106 PolarHBondContact O-N 3.09Å; S1104-L1106 PolarHBondContact O-N 2.92Å; L1106-F1109 HydrophobicContact CD1-CD1 4.31Å; L1106-L1110 HydrophobicContact CD1-CD1 4.27Å; L1106-L1110 HydrophobicContact CD1-CG 4.39Å; L1106-L1110 HydrophobicContact CG-CD1 4.25Å; L1106-L1110 WeakPolarHBondContact O-CD1 3.15Å; L1106-L1110 WeakPolarHBondContact O-CG 3.3Å; L1106-L1110 PolarHBondContact O-N 3.41Å; L1106-L1110 VanDerWaalsContact O-N 3.11Å; L1106-L1129 HydrophobicContact CD2-CD1 4.14Å; L1106-L1129 HydrophobicContact CD2-CD2 3.9Å; L1106-L1129 HydrophobicContact CG-CD1 4.26Å |
| 1107 | W | 94.9 | Very high | 89.7 | Confident | 87 Ų | 87 | 67.5 Ų | 67.5 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.3 | -47.4 | 174.8 | -160.9 | -71.6 | 0 | 0 | 0 | 111.6 | R1103 S1104 F1109 L1110 D1111 R1126 L1129 L1130 | R1103-W1107 PolarHBondContact O-N 2.65Å; R1103-W1107 VanDerWaalsContact O-N 3.12Å; S1104-W1107 CarbonylContact O-C 3.54Å; S1104-W1107 WeakPolarHBondContact O-CA 3.22Å; S1104-W1107 WeakPolarHBondContact O-CB 3.3Å; S1104-W1107 PolarHBondContact O-N 3.43Å; W1107-F1109 VanDerWaalsContact C-N 3.26Å; W1107-F1109 PolarHBondContact O-N 3.35Å; W1107-L1110 WeakPolarHBondContact O-CB 3.19Å; W1107-L1110 PolarHBondContact O-N 3.36Å; W1107-D1111 PolarHBondContact NE1-OD1 2.66Å; W1107-D1111 PolarHBondContact NE1-OD2 2.82Å; W1107-D1111 PolarHBondContact O-N 2.9Å; W1107-R1126 HydrophobicContact CH2-CB 4.27Å; W1107-R1126 HydrophobicContact CH2-CG 4.14Å; W1107-R1126 HydrophobicContact CZ2-CG 4.28Å; W1107-R1126 HydrophobicContact CZ3-CG 4.38Å; W1107-L1129 HydrophobicContact CE3-CD1 3.97Å; W1107-L1129 HydrophobicContact CZ3-CB 4.35Å; W1107-L1129 HydrophobicContact CZ3-CD1 4.35Å; W1107-L1130 HydrophobicContact CH2-CD2 4.46Å; W1107-L1130 HydrophobicContact CH2-CG 4.45Å |
| 1108 | D | 96.2 | Very high | 89.1 | Confident | 79 Ų | 79 | 63.3 Ų | 63.3 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.4 | -42.9 | 176.5 | -54.6 | -36.4 | 0 | 0 | 0 | 110.9 | S1104 D1111 T1112 | S1104-D1108 PolarHBondContact O-N 3.46Å; S1104-D1108 VanDerWaalsContact O-OD2 3.11Å; D1108-D1111 PolarHBondContact O-N 3.41Å; D1108-T1112 PolarHBondContact O-N 3.14Å |
| 1109 | F | 96.6 | Very high | 88.5 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 173.5 | 166 | -116.6 | 0 | 0 | 0 | 112.5 | I1028 F1031 L1079 I1082 R1105 L1106 W1107 D1111 T1112 V1113 | I1028-F1109 HydrophobicContact CB-CD2 4.41Å; I1028-F1109 HydrophobicContact CD1-CB 3.84Å; I1028-F1109 HydrophobicContact CD1-CD2 4.34Å; I1028-F1109 HydrophobicContact CD1-CG 4.06Å; I1028-F1109 HydrophobicContact CG1-CB 4.11Å; I1028-F1109 HydrophobicContact CG1-CD1 4.24Å; I1028-F1109 HydrophobicContact CG1-CD2 3.73Å; I1028-F1109 HydrophobicContact CG1-CE2 4.2Å; I1028-F1109 HydrophobicContact CG1-CG 3.74Å; I1028-F1109 HydrophobicContact CG2-CD2 4.1Å; I1028-F1109 HydrophobicContact CG2-CE2 4.45Å; F1031-F1109 HydrophobicContact CB-CE2 4.25Å; F1031-F1109 HydrophobicContact CB-CZ 4.14Å; F1031-F1109 AromaticContact CD1-CE2 3.75Å; F1031-F1109 HydrophobicContact CD1-CE2 3.75Å; F1031-F1109 AromaticContact CD1-CZ 3.96Å; F1031-F1109 HydrophobicContact CD1-CZ 3.96Å; F1031-F1109 AromaticContact CD2-CZ 3.95Å; F1031-F1109 HydrophobicContact CD2-CZ 3.95Å; F1031-F1109 HydrophobicContact CE1-CE2 4.24Å; F1031-F1109 HydrophobicContact CE1-CZ 4.37Å; F1031-F1109 HydrophobicContact CE2-CZ 4.36Å; F1031-F1109 AromaticContact CG-CE2 3.94Å; F1031-F1109 HydrophobicContact CG-CE2 3.94Å; F1031-F1109 AromaticContact CG-CZ 3.75Å; F1031-F1109 HydrophobicContact CG-CZ 3.75Å; L1079-F1109 HydrophobicContact CD2-CE1 4.03Å; L1079-F1109 HydrophobicContact CD2-CZ 4.32Å; I1082-F1109 HydrophobicContact CD1-CD1 4.41Å; I1082-F1109 HydrophobicContact CD1-CE1 3.8Å; R1105-F1109 WeakPolarHBondContact O-CB 3.04Å; R1105-F1109 PolarHBondContact O-N 3.35Å; R1105-F1109 VanDerWaalsContact O-N 3.09Å; L1106-F1109 HydrophobicContact CD1-CD1 4.31Å; W1107-F1109 VanDerWaalsContact C-N 3.26Å; W1107-F1109 PolarHBondContact O-N 3.35Å; F1109-D1111 PolarHBondContact O-N 3.23Å; F1109-T1112 PolarHBondContact O-N 2.91Å; F1109-T1112 PolarHBondContact O-OG1 3.18Å; F1109-V1113 HydrophobicContact CD2-CG2 4.49Å; F1109-V1113 HydrophobicContact CE1-CG2 4.43Å; F1109-V1113 HydrophobicContact CE2-CG2 3.99Å; F1109-V1113 HydrophobicContact CZ-CG2 3.96Å |
| 1110 | L | 94.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.8 | -27.3 | 179.8 | -68.8 | 165.1 | 0 | 0 | 0 | 112.7 | L1106 W1107 T1112 V1113 V1122 I1125 R1126 L1129 | L1106-L1110 HydrophobicContact CD1-CD1 4.27Å; L1106-L1110 HydrophobicContact CD1-CG 4.39Å; L1106-L1110 HydrophobicContact CG-CD1 4.25Å; L1106-L1110 WeakPolarHBondContact O-CD1 3.15Å; L1106-L1110 WeakPolarHBondContact O-CG 3.3Å; L1106-L1110 PolarHBondContact O-N 3.41Å; L1106-L1110 VanDerWaalsContact O-N 3.11Å; W1107-L1110 WeakPolarHBondContact O-CB 3.19Å; W1107-L1110 PolarHBondContact O-N 3.36Å; L1110-T1112 VanDerWaalsContact C-N 3.29Å; L1110-V1113 PolarHBondContact O-N 2.71Å; L1110-V1122 HydrophobicContact CB-CG1 4.16Å; L1110-V1122 HydrophobicContact CD2-CB 4.36Å; L1110-V1122 HydrophobicContact CD2-CG1 4.07Å; L1110-V1122 HydrophobicContact CD2-CG2 4.16Å; L1110-I1125 HydrophobicContact CD1-CB 4.17Å; L1110-I1125 HydrophobicContact CD1-CG2 3.56Å; L1110-I1125 HydrophobicContact CD2-CB 4.22Å; L1110-I1125 HydrophobicContact CD2-CD1 3.77Å; L1110-I1125 HydrophobicContact CD2-CG2 4.21Å; L1110-R1126 HydrophobicContact CD1-CG 4.26Å; L1110-R1126 PolarHBondContact O-NH2 3.27Å; L1110-L1129 HydrophobicContact CD1-CD1 3.97Å |
| 1111 | D | 93.4 | Very high | 87.2 | Confident | 98 Ų | 98 | 57.9 Ų | 57.9 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -75.7 | -14.8 | 174 | -67 | -4.2 | 0 | 0 | 0 | 112.6 | W1107 D1108 F1109 R1126 | W1107-D1111 PolarHBondContact NE1-OD1 2.66Å; W1107-D1111 PolarHBondContact NE1-OD2 2.82Å; W1107-D1111 PolarHBondContact O-N 2.9Å; D1108-D1111 PolarHBondContact O-N 3.41Å; F1109-D1111 PolarHBondContact O-N 3.23Å; D1111-R1126 IonicContact OD1-CZ 3.93Å; D1111-R1126 IonicContact OD1-NE 3.98Å; D1111-R1126 IonicContact OD1-NH2 2.71Å; D1111-R1126 PolarHBondContact OD1-NH2 3.35Å |
| 1112 | T | 93.6 | Very high | 86.9 | Confident | 94 Ų | 94 | 53.9 Ų | 53.9 | 58% | 0.577 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -7.8 | 171.3 | 67.1 | 0 | 0 | 0 | 0 | 114.9 | D1108 F1109 L1110 D1114 | D1108-T1112 PolarHBondContact O-N 3.14Å; F1109-T1112 PolarHBondContact O-N 2.91Å; F1109-T1112 PolarHBondContact O-OG1 3.18Å; L1110-T1112 VanDerWaalsContact C-N 3.29Å; T1112-D1114 PolarHBondContact O-N 3.13Å; T1112-D1114 VanDerWaalsContact O-N 3.11Å |
| 1113 | V | 90 | Very high | 86.4 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | trans | -86.8 | 81.3 | -175.6 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | F1031 L1079 F1109 L1110 A1115 L1118 V1122 | F1031-V1113 HydrophobicContact CE1-CG2 4.01Å; F1031-V1113 HydrophobicContact CZ-CG1 3.86Å; F1031-V1113 HydrophobicContact CZ-CG2 3.9Å; L1079-V1113 HydrophobicContact CD1-CG1 4.44Å; F1109-V1113 HydrophobicContact CD2-CG2 4.49Å; F1109-V1113 HydrophobicContact CE1-CG2 4.43Å; F1109-V1113 HydrophobicContact CE2-CG2 3.99Å; F1109-V1113 HydrophobicContact CZ-CG2 3.96Å; L1110-V1113 PolarHBondContact O-N 2.71Å; V1113-A1115 PolarHBondContact O-N 2.94Å; V1113-L1118 HydrophobicContact CG1-CB 4.17Å; V1113-L1118 HydrophobicContact CG1-CD1 4.25Å; V1113-V1122 HydrophobicContact CB-CG2 3.85Å; V1113-V1122 HydrophobicContact CG1-CG2 3.66Å; V1113-V1122 HydrophobicContact CG2-CG2 4.46Å | ||
| 1114 | D | 78.2 | Confident | 85.9 | Confident | 127 Ų | 127 | 56.4 Ų | 56.4 | 68% | 0.679 | 29% | 0.294 | S | S | * | . | trans | -93.3 | 68.2 | 178.9 | -159.8 | -7.1 | 0 | 0 | 0 | 112.2 | F490 T1112 | F490-D1114 VanDerWaalsContact CE2-OD2 3.28Å; F490-D1114 WeakPolarHBondContact CE2-OD2 3.45Å; F490-D1114 WeakPolarHBondContact CZ-OD2 3.48Å; T1112-D1114 PolarHBondContact O-N 3.13Å; T1112-D1114 VanDerWaalsContact O-N 3.11Å | ||
| 1115 | A | 73.5 | Confident | 85.7 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 26% | 0.256 | 27% | 0.272 | S | S | . | . | trans | -140.1 | 114.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | V1113 N1117 L1118 S1119 | V1113-A1115 PolarHBondContact O-N 2.94Å; A1115-N1117 VanDerWaalsContact C-N 3.32Å; A1115-N1117 PolarHBondContact O-N 3.05Å; A1115-L1118 HydrophobicContact CB-CB 4.29Å; A1115-L1118 HydrophobicContact CB-CD1 4.06Å; A1115-L1118 HydrophobicContact CB-CG 4.14Å; A1115-L1118 PolarHBondContact O-N 3.27Å; A1115-S1119 PolarHBondContact O-N 2.94Å | ||
| 1116 | R | 67.6 | Low | 85.5 | Confident | 168 Ų | 168 | 51.3 Ų | 51.3 | 63% | 0.634 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -51.7 | -47.7 | -174.6 | -67.8 | -171.7 | -175 | -173.2 | 10.1 | 112.8 | D631 L1118 S1119 | D631-R1116 IonicContact OD2-NH1 2.73Å; D631-R1116 PolarHBondContact OD2-NH1 3.18Å; R1116-L1118 PolarHBondContact O-N 2.85Å; R1116-L1118 VanDerWaalsContact O-N 3.08Å; R1116-S1119 VanDerWaalsContact O-CB 3.31Å; R1116-S1119 WeakPolarHBondContact O-CB 3.49Å; R1116-S1119 PolarHBondContact O-N 2.82Å; R1116-S1119 VanDerWaalsContact O-N 3.08Å; R1116-S1119 PolarHBondContact O-OG 2.85Å |
| 1117 | N | 66.8 | Low | 85.1 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -66.7 | -7.2 | -179 | 72.4 | -56.4 | 0 | 0 | 0 | 114.4 | A1115 | A1115-N1117 VanDerWaalsContact C-N 3.32Å; A1115-N1117 PolarHBondContact O-N 3.05Å |
| 1118 | L | 77.2 | Confident | 84.8 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -112.1 | -4 | 175.9 | -56.7 | -177.2 | 0 | 0 | 0 | 112.9 | F1031 Q1075 Y1076 L1079 V1113 A1115 R1116 D1120 N1121 V1122 | F1031-L1118 HydrophobicContact CE2-CD1 3.99Å; F1031-L1118 HydrophobicContact CZ-CD1 3.84Å; Q1075-L1118 HydrophobicContact CB-CD1 4.2Å; Y1076-L1118 HydrophobicContact CD2-CD2 4.24Å; L1079-L1118 HydrophobicContact CD1-CB 3.8Å; L1079-L1118 HydrophobicContact CD1-CD1 3.92Å; L1079-L1118 HydrophobicContact CD1-CD2 4.21Å; L1079-L1118 HydrophobicContact CD1-CG 4.19Å; V1113-L1118 HydrophobicContact CG1-CB 4.17Å; V1113-L1118 HydrophobicContact CG1-CD1 4.25Å; A1115-L1118 HydrophobicContact CB-CB 4.29Å; A1115-L1118 HydrophobicContact CB-CD1 4.06Å; A1115-L1118 HydrophobicContact CB-CG 4.14Å; A1115-L1118 PolarHBondContact O-N 3.27Å; R1116-L1118 PolarHBondContact O-N 2.85Å; R1116-L1118 VanDerWaalsContact O-N 3.08Å; L1118-D1120 VanDerWaalsContact C-N 3.35Å; L1118-D1120 PolarHBondContact O-N 2.87Å; L1118-N1121 WeakPolarHBondContact O-CB 3.35Å; L1118-N1121 PolarHBondContact O-N 3.39Å; L1118-V1122 WeakPolarHBondContact O-CG2 3.43Å; L1118-V1122 PolarHBondContact O-N 2.79Å |
| 1119 | S | 77.3 | Confident | 84.5 | Confident | 51 Ų | 51 | 49.3 Ų | 49.3 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | -175.2 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | A1115 R1116 V1122 T1123 | A1115-S1119 PolarHBondContact O-N 2.94Å; R1116-S1119 VanDerWaalsContact O-CB 3.31Å; R1116-S1119 WeakPolarHBondContact O-CB 3.49Å; R1116-S1119 PolarHBondContact O-N 2.82Å; R1116-S1119 VanDerWaalsContact O-N 3.08Å; R1116-S1119 PolarHBondContact O-OG 2.85Å; S1119-V1122 PolarHBondContact O-N 2.86Å; S1119-T1123 WeakPolarHBondContact O-CG2 3.17Å; S1119-T1123 PolarHBondContact O-N 3.16Å; S1119-T1123 PolarHBondContact O-OG1 2.9Å; S1119-T1123 VanDerWaalsContact O-OG1 3.09Å |
| 1120 | D | 74.8 | Confident | 84 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 171.1 | -97.2 | 13.2 | 0 | 0 | 0 | 112.6 | N624 L1118 V1122 T1123 N1124 | N624-D1120 WeakPolarHBondContact CB-OD2 3.27Å; N624-D1120 WeakPolarHBondContact ND2-CB 3.39Å; N624-D1120 PolarHBondContact ND2-OD2 2.8Å; L1118-D1120 VanDerWaalsContact C-N 3.35Å; L1118-D1120 PolarHBondContact O-N 2.87Å; D1120-V1122 VanDerWaalsContact C-N 3.34Å; D1120-V1122 PolarHBondContact O-N 3.48Å; D1120-T1123 PolarHBondContact O-N 3.39Å; D1120-T1123 PolarHBondContact O-OG1 3.48Å; D1120-T1123 VanDerWaalsContact O-OG1 3.13Å; D1120-N1124 VanDerWaalsContact O-CB 3.23Å; D1120-N1124 WeakPolarHBondContact O-CB 3.29Å; D1120-N1124 VanDerWaalsContact O-CG 3.23Å; D1120-N1124 PolarHBondContact O-N 2.84Å; D1120-N1124 PolarHBondContact O-ND2 3.47Å |
| 1121 | N | 81.6 | Confident | 83.2 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 178.5 | -81 | 9.8 | 0 | 0 | 0 | 110 | Y1076 L1079 N1080 I1083 L1118 N1124 I1125 | Y1076-N1121 WeakPolarHBondContact CD2-ND2 3.39Å; Y1076-N1121 WeakPolarHBondContact CE2-ND2 3.25Å; L1079-N1121 HydrophobicContact CB-CB 3.99Å; L1079-N1121 HydrophobicContact CD1-CB 3.95Å; N1080-N1121 PolarHBondContact OD1-ND2 3.14Å; N1080-N1121 VanDerWaalsContact OD1-ND2 3.11Å; I1083-N1121 HydrophobicContact CD1-CB 3.81Å; L1118-N1121 WeakPolarHBondContact O-CB 3.35Å; L1118-N1121 PolarHBondContact O-N 3.39Å; N1121-N1124 PolarHBondContact O-N 2.88Å; N1121-I1125 WeakPolarHBondContact O-CD1 3.44Å; N1121-I1125 WeakPolarHBondContact O-CG1 3.5Å; N1121-I1125 PolarHBondContact O-N 3.49Å |
| 1122 | V | 89.7 | Confident | 82.4 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | L1079 L1110 V1113 L1118 S1119 D1120 I1125 R1126 | L1079-V1122 HydrophobicContact CD1-CG2 4.39Å; L1110-V1122 HydrophobicContact CB-CG1 4.16Å; L1110-V1122 HydrophobicContact CD2-CB 4.36Å; L1110-V1122 HydrophobicContact CD2-CG1 4.07Å; L1110-V1122 HydrophobicContact CD2-CG2 4.16Å; V1113-V1122 HydrophobicContact CB-CG2 3.85Å; V1113-V1122 HydrophobicContact CG1-CG2 3.66Å; V1113-V1122 HydrophobicContact CG2-CG2 4.46Å; L1118-V1122 WeakPolarHBondContact O-CG2 3.43Å; L1118-V1122 PolarHBondContact O-N 2.79Å; S1119-V1122 PolarHBondContact O-N 2.86Å; D1120-V1122 VanDerWaalsContact C-N 3.34Å; D1120-V1122 PolarHBondContact O-N 3.48Å; V1122-I1125 PolarHBondContact O-N 2.83Å; V1122-R1126 VanDerWaalsContact CG1-NH1 3.25Å; V1122-R1126 PolarHBondContact O-N 2.77Å |
| 1123 | T | 86.5 | Confident | 81.2 | Confident | 55 Ų | 55 | 56 Ų | 56 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.2 | -35.5 | 179.3 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | S1119 D1120 R1126 K1127 | S1119-T1123 WeakPolarHBondContact O-CG2 3.17Å; S1119-T1123 PolarHBondContact O-N 3.16Å; S1119-T1123 PolarHBondContact O-OG1 2.9Å; S1119-T1123 VanDerWaalsContact O-OG1 3.09Å; D1120-T1123 PolarHBondContact O-N 3.39Å; D1120-T1123 PolarHBondContact O-OG1 3.48Å; D1120-T1123 VanDerWaalsContact O-OG1 3.13Å; T1123-R1126 PolarHBondContact O-N 2.88Å; T1123-K1127 WeakPolarHBondContact O-CB 3.22Å; T1123-K1127 WeakPolarHBondContact O-CG 2.94Å; T1123-K1127 PolarHBondContact O-N 2.9Å |
| 1124 | N | 84 | Confident | 79.4 | Confident | 67 Ų | 67 | 62 Ų | 62 | 36% | 0.358 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.5 | -33.8 | 173.5 | -75.1 | -41.2 | 0 | 0 | 0 | 112.4 | D1120 N1121 S1128 | D1120-N1124 VanDerWaalsContact O-CB 3.23Å; D1120-N1124 WeakPolarHBondContact O-CB 3.29Å; D1120-N1124 VanDerWaalsContact O-CG 3.23Å; D1120-N1124 PolarHBondContact O-N 2.84Å; D1120-N1124 PolarHBondContact O-ND2 3.47Å; N1121-N1124 PolarHBondContact O-N 2.88Å; N1124-S1128 WeakPolarHBondContact O-CB 3.39Å; N1124-S1128 PolarHBondContact O-N 2.7Å; N1124-S1128 PolarHBondContact O-OG 3.08Å |
| 1125 | I | 89.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.4 | -50.4 | 169.7 | -62.5 | 159.5 | 0 | 0 | 0 | 110 | L1079 I1082 I1083 V1086 L1110 N1121 V1122 K1127 S1128 L1129 | L1079-I1125 HydrophobicContact CD2-CD1 3.96Å; I1082-I1125 HydrophobicContact CB-CD1 4.13Å; I1082-I1125 HydrophobicContact CG2-CD1 3.71Å; I1082-I1125 HydrophobicContact CG2-CG1 4.09Å; I1082-I1125 HydrophobicContact CG2-CG2 4Å; I1083-I1125 HydrophobicContact CB-CG1 4.44Å; I1083-I1125 HydrophobicContact CG1-CD1 3.95Å; I1083-I1125 HydrophobicContact CG1-CG1 3.46Å; I1083-I1125 VanDerWaalsContact CG1-CG1 3.46Å; V1086-I1125 HydrophobicContact CG2-CG2 4.23Å; L1110-I1125 HydrophobicContact CD1-CB 4.17Å; L1110-I1125 HydrophobicContact CD1-CG2 3.56Å; L1110-I1125 HydrophobicContact CD2-CB 4.22Å; L1110-I1125 HydrophobicContact CD2-CD1 3.77Å; L1110-I1125 HydrophobicContact CD2-CG2 4.21Å; N1121-I1125 WeakPolarHBondContact O-CD1 3.44Å; N1121-I1125 WeakPolarHBondContact O-CG1 3.5Å; N1121-I1125 PolarHBondContact O-N 3.49Å; V1122-I1125 PolarHBondContact O-N 2.83Å; I1125-K1127 PolarHBondContact O-N 3.44Å; I1125-S1128 CarbonylContact O-C 3.42Å; I1125-S1128 WeakPolarHBondContact O-CA 3.26Å; I1125-S1128 WeakPolarHBondContact O-CB 3.17Å; I1125-S1128 PolarHBondContact O-N 2.66Å; I1125-L1129 HydrophobicContact CG2-CD1 4.04Å; I1125-L1129 HydrophobicContact CG2-CG 4.24Å; I1125-L1129 WeakPolarHBondContact O-CG 3.5Å; I1125-L1129 PolarHBondContact O-N 2.94Å |
| 1126 | R | 92.3 | Very high | 77 | Confident | 65 Ų | 65 | 69.8 Ų | 69.8 | 25% | 0.245 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 178.3 | -72.2 | -174.1 | -176.7 | 119.4 | 6.6 | 112.2 | W1107 L1110 D1111 V1122 T1123 S1128 L1129 L1130 | W1107-R1126 HydrophobicContact CH2-CB 4.27Å; W1107-R1126 HydrophobicContact CH2-CG 4.14Å; W1107-R1126 HydrophobicContact CZ2-CG 4.28Å; W1107-R1126 HydrophobicContact CZ3-CG 4.38Å; L1110-R1126 HydrophobicContact CD1-CG 4.26Å; L1110-R1126 PolarHBondContact O-NH2 3.27Å; D1111-R1126 IonicContact OD1-CZ 3.93Å; D1111-R1126 IonicContact OD1-NE 3.98Å; D1111-R1126 IonicContact OD1-NH2 2.71Å; D1111-R1126 PolarHBondContact OD1-NH2 3.35Å; V1122-R1126 VanDerWaalsContact CG1-NH1 3.25Å; V1122-R1126 PolarHBondContact O-N 2.77Å; T1123-R1126 PolarHBondContact O-N 2.88Å; R1126-S1128 PolarHBondContact O-N 3.48Å; R1126-L1129 PolarHBondContact O-N 3.11Å; R1126-L1130 WeakPolarHBondContact O-CG 3.33Å; R1126-L1130 PolarHBondContact O-N 3.5Å |
| 1127 | K | 89.2 | Confident | 76.3 | Confident | 104 Ų | 104 | 68 Ų | 68 | 45% | 0.452 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 172.2 | -73.2 | 171.5 | -175.1 | 169.6 | 0 | 112.1 | T1123 I1125 L1129 L1130 G1131 D1132 | T1123-K1127 WeakPolarHBondContact O-CB 3.22Å; T1123-K1127 WeakPolarHBondContact O-CG 2.94Å; T1123-K1127 PolarHBondContact O-N 2.9Å; I1125-K1127 PolarHBondContact O-N 3.44Å; K1127-L1129 VanDerWaalsContact C-N 3.31Å; K1127-L1129 PolarHBondContact O-N 2.93Å; K1127-L1130 PolarHBondContact O-N 3.19Å; K1127-G1131 PolarHBondContact O-N 3.33Å; K1127-D1132 HydrophobicContact CB-CB 4.38Å; K1127-D1132 PolarHBondContact O-N 2.75Å |
| 1128 | S | 87.8 | Confident | 75.4 | Confident | 8 Ų | 8 | 74 Ų | 74 | 6% | 0.056 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.4 | -31.5 | 179.1 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | N1124 I1125 R1126 G1131 R1133 | N1124-S1128 WeakPolarHBondContact O-CB 3.39Å; N1124-S1128 PolarHBondContact O-N 2.7Å; N1124-S1128 PolarHBondContact O-OG 3.08Å; I1125-S1128 CarbonylContact O-C 3.42Å; I1125-S1128 WeakPolarHBondContact O-CA 3.26Å; I1125-S1128 WeakPolarHBondContact O-CB 3.17Å; I1125-S1128 PolarHBondContact O-N 2.66Å; R1126-S1128 PolarHBondContact O-N 3.48Å; S1128-G1131 PolarHBondContact O-N 2.9Å; S1128-R1133 VanDerWaalsContact O-CZ 3.29Å; S1128-R1133 PolarHBondContact O-NE 3.36Å; S1128-R1133 PolarHBondContact O-NH2 3.12Å |
| 1129 | L | 89.1 | Confident | 74.3 | Confident | 13 Ų | 13 | 79.2 Ų | 79.2 | 7% | 0.068 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.2 | -37.9 | 172.5 | -70.2 | 172.9 | 0 | 0 | 0 | 112.4 | V1086 Y1092 I1096 R1103 L1106 W1107 L1110 I1125 R1126 K1127 G1131 | V1086-L1129 HydrophobicContact CG1-CD2 3.59Å; V1086-L1129 HydrophobicContact CG1-CG 3.86Å; V1086-L1129 HydrophobicContact CG2-CD2 4.2Å; Y1092-L1129 HydrophobicContact CE2-CD2 4.28Å; I1096-L1129 HydrophobicContact CG2-CD2 3.98Å; R1103-L1129 HydrophobicContact CG-CD2 4.35Å; L1106-L1129 HydrophobicContact CD2-CD1 4.14Å; L1106-L1129 HydrophobicContact CD2-CD2 3.9Å; L1106-L1129 HydrophobicContact CG-CD1 4.26Å; W1107-L1129 HydrophobicContact CE3-CD1 3.97Å; W1107-L1129 HydrophobicContact CZ3-CB 4.35Å; W1107-L1129 HydrophobicContact CZ3-CD1 4.35Å; L1110-L1129 HydrophobicContact CD1-CD1 3.97Å; I1125-L1129 HydrophobicContact CG2-CD1 4.04Å; I1125-L1129 HydrophobicContact CG2-CG 4.24Å; I1125-L1129 WeakPolarHBondContact O-CG 3.5Å; I1125-L1129 PolarHBondContact O-N 2.94Å; R1126-L1129 PolarHBondContact O-N 3.11Å; K1127-L1129 VanDerWaalsContact C-N 3.31Å; K1127-L1129 PolarHBondContact O-N 2.93Å; L1129-G1131 PolarHBondContact O-N 2.77Å |
| 1130 | L | 87.2 | Confident | 73.4 | Confident | 136 Ų | 136 | 83.9 Ų | 83.9 | 71% | 0.712 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -3.4 | 174.1 | -67.2 | 168.5 | 0 | 0 | 0 | 113.5 | W1107 R1126 K1127 | W1107-L1130 HydrophobicContact CH2-CD2 4.46Å; W1107-L1130 HydrophobicContact CH2-CG 4.45Å; R1126-L1130 WeakPolarHBondContact O-CG 3.33Å; R1126-L1130 PolarHBondContact O-N 3.5Å; K1127-L1130 PolarHBondContact O-N 3.19Å |
| 1131 | G | 76.9 | Confident | 72.7 | Confident | 45 Ų | 45 | 89.3 Ų | 89.3 | 46% | 0.464 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -1.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | K1127 S1128 L1129 R1133 | K1127-G1131 PolarHBondContact O-N 3.33Å; S1128-G1131 PolarHBondContact O-N 2.9Å; L1129-G1131 PolarHBondContact O-N 2.77Å; G1131-R1133 PolarHBondContact O-N 2.72Å |
| 1132 | D | 76.8 | Confident | 72.3 | Confident | 109 Ų | 109 | 95 Ų | 95 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | trans | -77.5 | 86.5 | -174.2 | -166.1 | 16.3 | 0 | 0 | 0 | 111.3 | K1127 | K1127-D1132 HydrophobicContact CB-CB 4.38Å; K1127-D1132 PolarHBondContact O-N 2.75Å | ||
| 1133 | R | 68.4 | Low | 71.9 | Confident | 51 Ų | 51 | 100.4 Ų | 100.4 | 19% | 0.192 | 51% | 0.513 | C | S | . | . | trans | -128 | 91.4 | -169 | -63.6 | -179 | -158.4 | 150.6 | 10 | 112.3 | V1086 Y1092 S1128 G1131 R1135 | V1086-R1133 PolarHBondContact O-NE 3.19Å; Y1092-R1133 VanDerWaalsContact CG-CZ 3.47Å; Y1092-R1133 VanDerWaalsContact CZ-NH2 3.25Å; S1128-R1133 VanDerWaalsContact O-CZ 3.29Å; S1128-R1133 PolarHBondContact O-NE 3.36Å; S1128-R1133 PolarHBondContact O-NH2 3.12Å; G1131-R1133 PolarHBondContact O-N 2.72Å; R1133-R1135 PolarHBondContact O-N 2.71Å | ||
| 1134 | I | 53.6 | Low | 72 | Confident | 145 Ų | 145 | 100.7 Ų | 100.7 | 74% | 0.744 | 52% | 0.516 | S | S | * | . | trans | -60.9 | 109.7 | 175.2 | -53.4 | 173.9 | 0 | 0 | 0 | 110.1 | ||||
| 1135 | R | 53.6 | Low | 72.1 | Confident | 171 Ų | 171 | 100.3 Ų | 100.3 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | trans | -100.4 | 106.3 | 163.5 | -82.6 | -174.1 | 164.3 | -168.8 | -5.5 | 108.6 | R1133 I1137 | R1133-R1135 PolarHBondContact O-N 2.71Å; R1135-I1137 PolarHBondContact O-N 3.46Å | ||
| 1136 | L | 46.5 | Very low | 72 | Confident | 151 Ų | 151 | 106.6 Ų | 106.6 | 79% | 0.791 | 55% | 0.546 | S | S | * | . | trans | -83.5 | 106.7 | 172.2 | -161.4 | 80 | 0 | 0 | 0 | 109 | ||||
| 1137 | I | 53.2 | Low | 71.9 | Confident | 131 Ų | 131 | 106.1 Ų | 106.1 | 67% | 0.672 | 55% | 0.547 | S | S | * | . | trans | -104.7 | 113.5 | 173.4 | -58.1 | 177.4 | 0 | 0 | 0 | 107.5 | R1135 T1139 | R1135-I1137 PolarHBondContact O-N 3.46Å; I1137-T1139 PolarHBondContact O-N 2.97Å | ||
| 1138 | Q | 46.9 | Very low | 72 | Confident | 175 Ų | 175 | 101.2 Ų | 101.2 | 82% | 0.818 | 53% | 0.525 | S | S | * | . | trans | -85.3 | 85.3 | 172.3 | -75.9 | -172.6 | -39.3 | 0 | 0 | 109.8 | I1140 | Q1138-I1140 PolarHBondContact O-N 3.3Š| ||
| 1139 | T | 55 | Low | 71.9 | Confident | 112 Ų | 112 | 104.6 Ų | 104.6 | 69% | 0.687 | 54% | 0.543 | S | S | * | . | trans | -73.7 | 119.5 | 173.1 | -44.1 | 0 | 0 | 0 | 0 | 109.9 | I1137 | I1137-T1139 PolarHBondContact O-N 2.97Š| ||
| 1140 | I | 58.2 | Low | 71.9 | Confident | 148 Ų | 148 | 104.4 Ų | 104.4 | 76% | 0.759 | 54% | 0.542 | S | S | * | . | trans | -90.3 | 108.9 | 169.5 | -60.4 | 175.1 | 0 | 0 | 0 | 107.4 | Q1138 Q1142 | Q1138-I1140 PolarHBondContact O-N 3.3Å; I1140-Q1142 PolarHBondContact O-N 2.64Å | ||
| 1141 | E | 60.6 | Low | 71.8 | Confident | 168 Ų | 168 | 100.6 Ų | 100.6 | 79% | 0.785 | 54% | 0.535 | S | S | * | . | trans | -71.1 | 111.7 | 178.3 | -64.9 | -172 | 153.2 | 0 | 0 | 110.9 | ||||
| 1142 | Q | 73.6 | Confident | 72.2 | Confident | 137 Ų | 137 | 100.4 Ų | 100.4 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | trans | -117.1 | 138.1 | 162.1 | -67.6 | -171.1 | 3.5 | 0 | 0 | 108.7 | I1140 N1383 | I1140-Q1142 PolarHBondContact O-N 2.64Å; Q1142-N1383 PolarHBondContact O-ND2 3.32Å; Q1142-N1383 VanDerWaalsContact O-ND2 3.1Å; Q1142-N1383 PolarHBondContact O-OD1 2.69Å | ||
| 1143 | P | 81.8 | Confident | 72.8 | Confident | 117 Ų | 117 | 96 Ų | 96 | 76% | 0.76 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 139.7 | 175.4 | 27.3 | -33.9 | 0 | 0 | 0 | 110.4 | N1383 | P1143-N1383 PolarHBondContact O-ND2 3.08Š|
| 1144 | P | 86.7 | Confident | 73.5 | Confident | 62 Ų | 62 | 99.5 Ų | 99.5 | 40% | 0.403 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -70 | 155 | 176.7 | 28.9 | -34.8 | 0 | 0 | 0 | 111.2 | N1383 | P1144-N1383 WeakPolarHBondContact CA-OD1 3.31Å; P1144-N1383 WeakPolarHBondContact CB-OD1 3.42Å |
| 1145 | P | 87 | Confident | 75.2 | Confident | 58 Ų | 58 | 94.6 Ų | 94.6 | 38% | 0.377 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 149.5 | 170 | -22.6 | 34.2 | 0 | 0 | 0 | 112.5 | N1383 F1384 | P1145-N1383 WeakPolarHBondContact CD-O 3.46Å; P1145-F1384 HydrophobicContact CG-CD1 4.32Å; P1145-F1384 HydrophobicContact CG-CE1 4.43Å |
| 1146 | E | 87.6 | Confident | 77 | Confident | 132 Ų | 132 | 88 Ų | 88 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 140.6 | 174.9 | -165.1 | 166.1 | -147.6 | 0 | 0 | 111.3 | R1171 A1461 | E1146-R1171 PolarHBondContact O-NH1 3.32Å; E1146-A1461 HydrophobicContact CB-CB 4.48Å; E1146-A1461 HydrophobicContact CG-CB 4.13Å; E1146-A1461 WeakPolarHBondContact OE2-CB 3.4Å |
| 1147 | Q | 89.7 | Confident | 78.9 | Confident | 55 Ų | 55 | 88 Ų | 88 | 26% | 0.257 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -74 | 135 | -175.7 | -65.8 | -171.7 | 4.4 | 0 | 0 | 111.3 | D1149 E1168 S1385 N1387 | Q1147-D1149 VanDerWaalsContact C-N 3.28Å; Q1147-D1149 PolarHBondContact O-N 2.65Å; Q1147-D1149 VanDerWaalsContact O-N 3.09Å; Q1147-E1168 WeakPolarHBondContact CA-OE2 3.03Å; Q1147-S1385 WeakPolarHBondContact CG-OG 2.9Å; Q1147-S1385 PolarHBondContact NE2-O 3.36Å; Q1147-S1385 PolarHBondContact NE2-OG 3.47Å; Q1147-N1387 PolarHBondContact OE1-ND2 2.66Å |
| 1148 | L | 90.9 | Very high | 80.7 | Confident | 1 Ų | 1 | 84.3 Ų | 84.3 | 1% | 0.005 | 47% | 0.469 | C | S | . | . | trans | -87.4 | 65.7 | 177.3 | -60.1 | 171.1 | 0 | 0 | 0 | 110.9 | H1165 L1167 E1168 L1459 T1460 A1461 F1466 | L1148-H1165 HydrophobicContact CB-CB 4.07Å; L1148-H1165 WeakPolarHBondContact O-CB 3.5Å; L1148-L1167 HydrophobicContact CD1-CB 4.26Å; L1148-L1167 HydrophobicContact CD1-CD2 3.84Å; L1148-L1167 HydrophobicContact CD1-CG 4.19Å; L1148-E1168 HydrophobicContact CB-CB 4.19Å; L1148-E1168 PolarHBondContact N-OE2 3.45Å; L1148-L1459 HydrophobicContact CD1-CB 4.41Å; L1148-L1459 HydrophobicContact CD1-CD2 4.12Å; L1148-L1459 HydrophobicContact CD1-CG 4.43Å; L1148-T1460 VanDerWaalsContact CD2-C 3.48Å; L1148-A1461 HydrophobicContact CD2-CB 4.4Å; L1148-F1466 HydrophobicContact CB-CD2 4.37Å; L1148-F1466 HydrophobicContact CB-CE2 3.7Å; L1148-F1466 HydrophobicContact CB-CZ 3.89Å; L1148-F1466 HydrophobicContact CD2-CD1 4.07Å; L1148-F1466 HydrophobicContact CD2-CD2 3.95Å; L1148-F1466 HydrophobicContact CD2-CE1 4.07Å; L1148-F1466 HydrophobicContact CD2-CE2 3.99Å; L1148-F1466 HydrophobicContact CD2-CG 3.99Å; L1148-F1466 HydrophobicContact CD2-CZ 4.05Å; L1148-F1466 HydrophobicContact CG-CE2 4.41Å | ||
| 1149 | D | 87.6 | Confident | 82.9 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | trans | -80.9 | 136.9 | 179.4 | -173.6 | 17.8 | 0 | 0 | 0 | 112.8 | Q1147 G1151 F1466 | Q1147-D1149 VanDerWaalsContact C-N 3.28Å; Q1147-D1149 PolarHBondContact O-N 2.65Å; Q1147-D1149 VanDerWaalsContact O-N 3.09Å; D1149-G1151 VanDerWaalsContact CG-N 3.32Å; D1149-G1151 PolarHBondContact OD1-N 2.86Å; D1149-F1466 WeakPolarHBondContact O-CZ 3.05Å | ||
| 1150 | F | 87.7 | Confident | 84.7 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 4% | 0.044 | 42% | 0.419 | C | S | . | . | trans | -87.3 | -12.3 | 172.4 | -70.4 | -17.6 | 0 | 0 | 0 | 113.4 | L1152 T1163 H1165 I1446 L1450 F1466 L1469 L1470 I1473 | F1150-L1152 VanDerWaalsContact C-N 3.29Å; F1150-L1152 HydrophobicContact CB-CB 4.36Å; F1150-L1152 HydrophobicContact CB-CD1 4Å; F1150-L1152 HydrophobicContact CB-CG 3.96Å; F1150-L1152 HydrophobicContact CD2-CD1 4.35Å; F1150-T1163 WeakPolarHBondContact CD2-O 3.41Å; F1150-H1165 HydrophobicContact CD1-CB 4.26Å; F1150-H1165 HydrophobicContact CE1-CB 3.67Å; F1150-H1165 AromaticContact CE1-CD2 3.61Å; F1150-H1165 HydrophobicContact CE2-CB 4.22Å; F1150-H1165 HydrophobicContact CZ-CB 3.67Å; F1150-H1165 AromaticContact CZ-CD2 3.6Å; F1150-I1446 HydrophobicContact CD2-CD1 4.38Å; F1150-I1446 HydrophobicContact CD2-CG2 4.46Å; F1150-I1446 HydrophobicContact CE2-CG2 3.64Å; F1150-I1446 HydrophobicContact CZ-CG2 3.94Å; F1150-L1450 HydrophobicContact CZ-CD1 4.37Å; F1150-F1466 HydrophobicContact CD1-CE2 4.05Å; F1150-F1466 HydrophobicContact CD1-CZ 4.49Å; F1150-F1466 AromaticContact CE1-CE2 3.89Å; F1150-F1466 HydrophobicContact CE1-CE2 3.89Å; F1150-L1469 HydrophobicContact CD1-CD2 3.84Å; F1150-L1469 HydrophobicContact CE1-CD1 4.27Å; F1150-L1469 HydrophobicContact CE1-CD2 3.33Å; F1150-L1469 HydrophobicContact CE1-CG 4.46Å; F1150-L1469 HydrophobicContact CZ-CD1 4.29Å; F1150-L1469 HydrophobicContact CZ-CD2 3.82Å; F1150-L1470 HydrophobicContact CD1-CD2 4.45Å; F1150-I1473 HydrophobicContact CB-CD1 3.72Å; F1150-I1473 HydrophobicContact CD1-CD1 3.85Å; F1150-I1473 HydrophobicContact CD2-CD1 4.18Å; F1150-I1473 HydrophobicContact CE1-CD1 4.47Å; F1150-I1473 HydrophobicContact CG-CD1 3.67Å | ||
| 1151 | G | 84.8 | Confident | 86.4 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 58% | 0.577 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 72.1 | 21.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1149 | D1149-G1151 VanDerWaalsContact CG-N 3.32Å; D1149-G1151 PolarHBondContact OD1-N 2.86Å |
| 1152 | L | 86.2 | Confident | 88 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | trans | -105.2 | -7 | -175.2 | -64.6 | 179 | 0 | 0 | 0 | 114.3 | F1150 I1446 I1473 T1477 | F1150-L1152 VanDerWaalsContact C-N 3.29Å; F1150-L1152 HydrophobicContact CB-CB 4.36Å; F1150-L1152 HydrophobicContact CB-CD1 4Å; F1150-L1152 HydrophobicContact CB-CG 3.96Å; F1150-L1152 HydrophobicContact CD2-CD1 4.35Å; L1152-I1446 HydrophobicContact CD1-CD1 3.48Å; L1152-I1446 VanDerWaalsContact CD1-CD1 3.48Å; L1152-I1473 HydrophobicContact CD1-CD1 4.26Å; L1152-I1473 HydrophobicContact CD2-CG2 4.15Å; L1152-I1473 HydrophobicContact CG-CG2 4.49Å; L1152-T1477 HydrophobicContact CD2-CG2 4.47Å | ||
| 1153 | V | 88.4 | Confident | 88.9 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 11% | 0.109 | 33% | 0.325 | C | S | . | . | trans | -119.7 | 105.7 | -174.9 | 174.6 | 0 | 0 | 0 | 0 | 108.8 | S1155 D1158 V1159 V1164 | V1153-S1155 VanDerWaalsContact CG1-O 3.25Å; V1153-S1155 WeakPolarHBondContact CG1-O 3.26Å; V1153-D1158 HydrophobicContact CB-CB 4.29Å; V1153-D1158 HydrophobicContact CG1-CB 4.17Å; V1153-D1158 HydrophobicContact CG2-CB 4.21Å; V1153-V1159 HydrophobicContact CG1-CG2 3.63Å; V1153-V1164 HydrophobicContact CG2-CG2 3.95Å | ||
| 1154 | T | 83.6 | Confident | 89.5 | Confident | 123 Ų | 123 | 50.8 Ų | 50.8 | 76% | 0.755 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -104.1 | -30 | 177.5 | 60.7 | 0 | 0 | 0 | 0 | 111.9 | D1158 | T1154-D1158 PolarHBondContact N-OD2 3.24Å; T1154-D1158 PolarHBondContact OG1-OD2 3.3Å |
| 1155 | S | 90.6 | Very high | 89.9 | Confident | 43 Ų | 43 | 48 Ų | 48 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -115.8 | 173.6 | 173.7 | 73.7 | 0 | 0 | 0 | 0 | 111.9 | V1153 D1157 D1158 | V1153-S1155 VanDerWaalsContact CG1-O 3.25Å; V1153-S1155 WeakPolarHBondContact CG1-O 3.26Å; S1155-D1157 VanDerWaalsContact C-N 3.29Å; S1155-D1157 PolarHBondContact OG-N 2.86Å; S1155-D1158 WeakPolarHBondContact CB-OD2 3.49Å; S1155-D1158 PolarHBondContact N-OD2 3.08Å; S1155-D1158 PolarHBondContact OG-N 2.98Å; S1155-D1158 PolarHBondContact OG-OD2 2.65Å |
| 1156 | S | 89.6 | Confident | 90.3 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -72.1 | -21.9 | 170.7 | -68 | 0 | 0 | 0 | 0 | 113.2 | D1158 V1159 S1389 F1393 | S1156-D1158 VanDerWaalsContact C-N 3.29Å; S1156-D1158 PolarHBondContact O-N 2.77Å; S1156-V1159 WeakPolarHBondContact O-CB 3.45Å; S1156-V1159 WeakPolarHBondContact O-CG2 3.35Å; S1156-V1159 PolarHBondContact O-N 2.96Å; S1156-S1389 PolarHBondContact OG-O 3.44Å; S1156-F1393 PolarHBondContact OG-N 3.47Å |
| 1157 | D | 87.9 | Confident | 90.7 | Very high | 150 Ų | 150 | 39.2 Ų | 39.2 | 80% | 0.802 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.6 | 179.7 | -57.6 | -45 | 0 | 0 | 0 | 112.7 | S1155 V1159 | S1155-D1157 VanDerWaalsContact C-N 3.29Å; S1155-D1157 PolarHBondContact OG-N 2.86Å; D1157-V1159 VanDerWaalsContact C-N 3.26Å; D1157-V1159 PolarHBondContact O-N 2.82Å |
| 1158 | D | 90.2 | Very high | 91 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 28% | 0.283 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10.2 | 175.2 | -62 | -63.5 | 0 | 0 | 0 | 113.2 | V1153 T1154 S1155 S1156 K1160 T1163 | V1153-D1158 HydrophobicContact CB-CB 4.29Å; V1153-D1158 HydrophobicContact CG1-CB 4.17Å; V1153-D1158 HydrophobicContact CG2-CB 4.21Å; T1154-D1158 PolarHBondContact N-OD2 3.24Å; T1154-D1158 PolarHBondContact OG1-OD2 3.3Å; S1155-D1158 WeakPolarHBondContact CB-OD2 3.49Å; S1155-D1158 PolarHBondContact N-OD2 3.08Å; S1155-D1158 PolarHBondContact OG-N 2.98Å; S1155-D1158 PolarHBondContact OG-OD2 2.65Å; S1156-D1158 VanDerWaalsContact C-N 3.29Å; S1156-D1158 PolarHBondContact O-N 2.77Å; D1158-K1160 PolarHBondContact O-N 2.99Å; D1158-T1163 WeakPolarHBondContact O-CB 3.1Å; D1158-T1163 PolarHBondContact O-OG1 3.08Å |
| 1159 | V | 92.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | trans | -75 | 115.5 | -171.1 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | V1153 S1156 D1157 V1164 F1169 V1390 F1393 | V1153-V1159 HydrophobicContact CG1-CG2 3.63Å; S1156-V1159 WeakPolarHBondContact O-CB 3.45Å; S1156-V1159 WeakPolarHBondContact O-CG2 3.35Å; S1156-V1159 PolarHBondContact O-N 2.96Å; D1157-V1159 VanDerWaalsContact C-N 3.26Å; D1157-V1159 PolarHBondContact O-N 2.82Å; V1159-V1164 HydrophobicContact CG1-CG2 4.22Å; V1159-F1169 HydrophobicContact CG1-CD2 4.41Å; V1159-F1169 HydrophobicContact CG1-CE2 3.71Å; V1159-V1390 HydrophobicContact CG2-CG2 4.37Å; V1159-F1393 HydrophobicContact CB-CB 3.97Å; V1159-F1393 HydrophobicContact CB-CD1 4.17Å; V1159-F1393 HydrophobicContact CB-CD2 3.9Å; V1159-F1393 HydrophobicContact CB-CE2 4.49Å; V1159-F1393 HydrophobicContact CB-CG 3.73Å; V1159-F1393 HydrophobicContact CG1-CB 4.14Å; V1159-F1393 HydrophobicContact CG1-CD1 3.53Å; V1159-F1393 HydrophobicContact CG1-CD2 4.1Å; V1159-F1393 HydrophobicContact CG1-CE1 3.94Å; V1159-F1393 HydrophobicContact CG1-CE2 4.46Å; V1159-F1393 HydrophobicContact CG1-CG 3.63Å; V1159-F1393 HydrophobicContact CG1-CZ 4.39Å; V1159-F1393 HydrophobicContact CG2-CB 3.89Å; V1159-F1393 HydrophobicContact CG2-CG 4.21Å | ||
| 1160 | K | 93.1 | Very high | 91.8 | Very high | 98 Ų | 98 | 33.2 Ų | 33.2 | 43% | 0.426 | 20% | 0.198 | S | C | . | . | trans | -144.4 | 159.2 | 178.9 | -56.4 | -175.6 | -177 | -173.2 | 0 | 110.6 | D1158 T1162 T1163 V1164 | D1158-K1160 PolarHBondContact O-N 2.99Å; K1160-T1162 PolarHBondContact O-N 3.32Å; K1160-T1163 HydrophobicContact CB-CG2 4.22Å; K1160-T1163 HydrophobicContact CD-CG2 4.49Å; K1160-T1163 PolarHBondContact N-OG1 3.2Å; K1160-T1163 PolarHBondContact O-N 2.93Å; K1160-T1163 VanDerWaalsContact O-N 3.07Å; K1160-T1163 PolarHBondContact O-OG1 2.91Å; K1160-V1164 PolarHBondContact O-N 3.04Å | ||
| 1161 | L | 94.1 | Very high | 92.2 | Very high | 12 Ų | 12 | 33.5 Ų | 33.5 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -15.8 | 171 | -67.9 | 171.4 | 0 | 0 | 0 | 114.1 | F1169 W1213 L1214 I1230 R1233 V1234 L1237 | L1161-F1169 HydrophobicContact CD2-CE1 4.29Å; L1161-W1213 HydrophobicContact CD1-CH2 4.43Å; L1161-W1213 HydrophobicContact CD1-CZ3 4.49Å; L1161-W1213 HydrophobicContact CD2-CH2 3.84Å; L1161-W1213 HydrophobicContact CD2-CZ3 3.86Å; L1161-W1213 HydrophobicContact CG-CH2 3.66Å; L1161-W1213 HydrophobicContact CG-CZ2 4.46Å; L1161-W1213 HydrophobicContact CG-CZ3 4.03Å; L1161-L1214 HydrophobicContact CD1-CD2 4.23Å; L1161-L1214 HydrophobicContact CD2-CD2 4.15Å; L1161-I1230 HydrophobicContact CD1-CG2 3.79Å; L1161-R1233 HydrophobicContact CB-CB 3.99Å; L1161-R1233 HydrophobicContact CB-CG 4.26Å; L1161-R1233 WeakPolarHBondContact O-CD 3.34Å; L1161-R1233 VanDerWaalsContact O-CG 3.29Å; L1161-R1233 WeakPolarHBondContact O-CG 3.22Å; L1161-V1234 HydrophobicContact CD1-CG2 3.97Å; L1161-L1237 HydrophobicContact CD2-CD1 3.55Å; L1161-L1237 HydrophobicContact CD2-CG 4.48Å |
| 1162 | T | 93.1 | Very high | 92.8 | Very high | 8 Ų | 8 | 31 Ų | 31 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -11.7 | -179.2 | 42.8 | 0 | 0 | 0 | 0 | 114.8 | K1160 V1229 I1230 L1439 E1443 | K1160-T1162 PolarHBondContact O-N 3.32Å; T1162-V1229 HydrophobicContact CG2-CG1 4.12Å; T1162-I1230 HydrophobicContact CG2-CD1 3.81Å; T1162-L1439 HydrophobicContact CG2-CD2 3.9Å; T1162-E1443 VanDerWaalsContact CB-OE1 3.31Å; T1162-E1443 WeakPolarHBondContact CB-OE1 3.21Å; T1162-E1443 PolarHBondContact OG1-OE1 3.21Å |
| 1163 | T | 93.1 | Very high | 93.4 | Very high | 15 Ų | 15 | 29 Ų | 29 | 9% | 0.092 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -18.1 | -177.8 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | F1150 D1158 K1160 | F1150-T1163 WeakPolarHBondContact CD2-O 3.41Å; D1158-T1163 WeakPolarHBondContact O-CB 3.1Å; D1158-T1163 PolarHBondContact O-OG1 3.08Å; K1160-T1163 HydrophobicContact CB-CG2 4.22Å; K1160-T1163 HydrophobicContact CD-CG2 4.49Å; K1160-T1163 PolarHBondContact N-OG1 3.2Å; K1160-T1163 PolarHBondContact O-N 2.93Å; K1160-T1163 VanDerWaalsContact O-N 3.07Å; K1160-T1163 PolarHBondContact O-OG1 2.91Å |
| 1164 | V | 94.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -106.7 | 145.5 | 173.7 | -172 | 0 | 0 | 0 | 0 | 109.9 | V1153 V1159 K1160 E1168 F1169 V1390 | V1153-V1164 HydrophobicContact CG2-CG2 3.95Å; V1159-V1164 HydrophobicContact CG1-CG2 4.22Å; K1160-V1164 PolarHBondContact O-N 3.04Å; V1164-E1168 HydrophobicContact CG1-CB 4.37Å; V1164-F1169 HydrophobicContact CB-CB 4.31Å; V1164-F1169 HydrophobicContact CB-CD2 4.23Å; V1164-F1169 HydrophobicContact CG1-CB 3.88Å; V1164-F1169 HydrophobicContact CG1-CD2 4.21Å; V1164-F1169 HydrophobicContact CG2-CD2 4.3Å; V1164-V1390 HydrophobicContact CG1-CG2 4.42Å; V1164-V1390 HydrophobicContact CG2-CG2 4.16Å |
| 1165 | H | 94.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.019 | 12% | 0.124 | C | C | . | . | trans | -64.5 | 131.1 | 171.6 | -174.6 | -96.3 | 0 | 0 | 0 | 110.4 | L1148 F1150 L1167 E1168 F1169 | L1148-H1165 HydrophobicContact CB-CB 4.07Å; L1148-H1165 WeakPolarHBondContact O-CB 3.5Å; F1150-H1165 HydrophobicContact CD1-CB 4.26Å; F1150-H1165 HydrophobicContact CE1-CB 3.67Å; F1150-H1165 AromaticContact CE1-CD2 3.61Å; F1150-H1165 HydrophobicContact CE2-CB 4.22Å; F1150-H1165 HydrophobicContact CZ-CB 3.67Å; F1150-H1165 AromaticContact CZ-CD2 3.6Å; H1165-L1167 PolarHBondContact ND1-N 3.01Å; H1165-L1167 PolarHBondContact O-N 3.41Å; H1165-E1168 HydrophobicContact CB-CB 4.26Å; H1165-E1168 WeakPolarHBondContact O-CA 3.37Å; H1165-E1168 WeakPolarHBondContact O-CB 3.08Å; H1165-E1168 PolarHBondContact O-N 3.48Å; H1165-F1169 PolarHBondContact O-N 2.92Å | ||
| 1166 | P | 95.6 | Very high | 94.7 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 4% | 0.039 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.7 | -37.1 | -169.6 | -20.2 | 27.9 | 0 | 0 | 0 | 114.4 | E1168 F1169 A1170 R1233 D1236 L1237 Y1240 L1450 | P1166-E1168 VanDerWaalsContact C-N 3.3Å; P1166-E1168 PolarHBondContact O-N 2.7Å; P1166-F1169 PolarHBondContact O-N 2.86Å; P1166-A1170 WeakPolarHBondContact O-CB 3.49Å; P1166-A1170 PolarHBondContact O-N 2.71Å; P1166-R1233 VanDerWaalsContact CG-NH1 3.29Å; P1166-D1236 HydrophobicContact CB-CB 3.95Å; P1166-D1236 HydrophobicContact CG-CB 4.38Å; P1166-L1237 HydrophobicContact CB-CD2 4.28Å; P1166-L1237 VanDerWaalsContact O-CD2 3.31Å; P1166-L1237 WeakPolarHBondContact O-CD2 3.31Å; P1166-Y1240 HydrophobicContact CB-CD2 4.11Å; P1166-Y1240 HydrophobicContact CB-CE2 3.92Å; P1166-L1450 HydrophobicContact CG-CD1 4.21Å |
| 1167 | L | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65 | -33.6 | 173.7 | 175.6 | 56.7 | 0 | 0 | 0 | 112 | L1148 H1165 R1171 Y1240 L1459 | L1148-L1167 HydrophobicContact CD1-CB 4.26Å; L1148-L1167 HydrophobicContact CD1-CD2 3.84Å; L1148-L1167 HydrophobicContact CD1-CG 4.19Å; H1165-L1167 PolarHBondContact ND1-N 3.01Å; H1165-L1167 PolarHBondContact O-N 3.41Å; L1167-R1171 HydrophobicContact CD1-CG 4.42Å; L1167-R1171 VanDerWaalsContact O-CG 3.25Å; L1167-R1171 WeakPolarHBondContact O-CG 3.4Å; L1167-R1171 PolarHBondContact O-N 3.5Å; L1167-Y1240 HydrophobicContact CB-CD1 3.99Å; L1167-Y1240 HydrophobicContact CB-CD2 4.14Å; L1167-Y1240 HydrophobicContact CB-CE1 3.8Å; L1167-Y1240 HydrophobicContact CB-CE2 3.99Å; L1167-Y1240 HydrophobicContact CB-CG 4.15Å; L1167-Y1240 HydrophobicContact CD1-CD1 3.57Å; L1167-Y1240 HydrophobicContact CD1-CE1 4.02Å; L1167-Y1240 HydrophobicContact CD1-CG 4.02Å; L1167-Y1240 HydrophobicContact CD2-CE1 4.16Å; L1167-Y1240 HydrophobicContact CG-CD1 4.21Å; L1167-Y1240 HydrophobicContact CG-CE1 4.19Å; L1167-L1459 HydrophobicContact CD2-CB 4.11Å |
| 1168 | E | 95.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 15.4 Ų | 15.4 | 2% | 0.023 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -73.4 | -43.4 | 177.2 | -163.4 | 54.4 | -132 | 0 | 0 | 110.5 | Q1147 L1148 V1164 H1165 P1166 A1170 R1171 Q1172 | Q1147-E1168 WeakPolarHBondContact CA-OE2 3.03Å; L1148-E1168 HydrophobicContact CB-CB 4.19Å; L1148-E1168 PolarHBondContact N-OE2 3.45Å; V1164-E1168 HydrophobicContact CG1-CB 4.37Å; H1165-E1168 HydrophobicContact CB-CB 4.26Å; H1165-E1168 WeakPolarHBondContact O-CA 3.37Å; H1165-E1168 WeakPolarHBondContact O-CB 3.08Å; H1165-E1168 PolarHBondContact O-N 3.48Å; P1166-E1168 VanDerWaalsContact C-N 3.3Å; P1166-E1168 PolarHBondContact O-N 2.7Å; E1168-A1170 VanDerWaalsContact C-N 3.3Å; E1168-A1170 PolarHBondContact O-N 3.39Å; E1168-R1171 WeakPolarHBondContact O-CB 3.31Å; E1168-R1171 PolarHBondContact O-N 3.36Å; E1168-R1171 VanDerWaalsContact O-N 3.14Å; E1168-R1171 WeakPolarHBondContact OE2-CD 3.42Å; E1168-R1171 IonicContact OE2-CZ 3.51Å; E1168-R1171 IonicContact OE2-NH1 2.96Å; E1168-R1171 PolarHBondContact OE2-NH1 2.92Å; E1168-Q1172 VanDerWaalsContact O-CG 3.32Å; E1168-Q1172 WeakPolarHBondContact O-CG 3.36Å; E1168-Q1172 PolarHBondContact O-N 3.31Å; E1168-Q1172 PolarHBondContact OE1-NE2 3.05Å |
| 1169 | F | 97.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 1% | 0.013 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.5 | -43.3 | 173.5 | -163.3 | -105.1 | 0 | 0 | 0 | 111.4 | V1159 L1161 V1164 H1165 P1166 R1171 Q1172 V1173 F1210 W1213 L1237 V1390 F1393 L1394 | V1159-F1169 HydrophobicContact CG1-CD2 4.41Å; V1159-F1169 HydrophobicContact CG1-CE2 3.71Å; L1161-F1169 HydrophobicContact CD2-CE1 4.29Å; V1164-F1169 HydrophobicContact CB-CB 4.31Å; V1164-F1169 HydrophobicContact CB-CD2 4.23Å; V1164-F1169 HydrophobicContact CG1-CB 3.88Å; V1164-F1169 HydrophobicContact CG1-CD2 4.21Å; V1164-F1169 HydrophobicContact CG2-CD2 4.3Å; H1165-F1169 PolarHBondContact O-N 2.92Å; P1166-F1169 PolarHBondContact O-N 2.86Å; F1169-R1171 PolarHBondContact O-N 3.05Å; F1169-Q1172 PolarHBondContact O-N 2.87Å; F1169-V1173 HydrophobicContact CD1-CG2 4.09Å; F1169-V1173 HydrophobicContact CE1-CG2 3.92Å; F1169-V1173 HydrophobicContact CZ-CG2 4.22Å; F1169-V1173 WeakPolarHBondContact O-CB 3.27Å; F1169-V1173 VanDerWaalsContact O-CG2 3.26Å; F1169-V1173 WeakPolarHBondContact O-CG2 3.45Å; F1169-V1173 PolarHBondContact O-N 3.22Å; F1169-F1210 AromaticContact CE1-CE2 3.7Å; F1169-F1210 HydrophobicContact CE1-CE2 3.7Å; F1169-F1210 AromaticContact CE1-CZ 3.77Å; F1169-F1210 HydrophobicContact CE1-CZ 3.77Å; F1169-F1210 HydrophobicContact CZ-CE2 4.04Å; F1169-W1213 AromaticContact CE1-CH2 3.89Å; F1169-W1213 HydrophobicContact CE1-CH2 3.89Å; F1169-W1213 AromaticContact CE1-CZ3 3.68Å; F1169-W1213 HydrophobicContact CE1-CZ3 3.68Å; F1169-W1213 HydrophobicContact CE2-CH2 4.42Å; F1169-W1213 AromaticContact CZ-CH2 3.51Å; F1169-W1213 HydrophobicContact CZ-CH2 3.51Å; F1169-W1213 AromaticContact CZ-CZ3 3.62Å; F1169-W1213 HydrophobicContact CZ-CZ3 3.62Å; F1169-L1237 HydrophobicContact CB-CD2 4.23Å; F1169-L1237 HydrophobicContact CD1-CD1 3.83Å; F1169-L1237 HydrophobicContact CD1-CD2 3.85Å; F1169-L1237 HydrophobicContact CE1-CD1 4.1Å; F1169-V1390 HydrophobicContact CD2-CG1 4.02Å; F1169-V1390 HydrophobicContact CE2-CG1 4.11Å; F1169-F1393 HydrophobicContact CE2-CD1 4.45Å; F1169-F1393 HydrophobicContact CE2-CE1 4.22Å; F1169-F1393 HydrophobicContact CZ-CE1 4.05Å; F1169-L1394 HydrophobicContact CZ-CD2 4.48Å |
| 1170 | A | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1166 E1168 T1174 L1237 F1241 L1244 | P1166-A1170 WeakPolarHBondContact O-CB 3.49Å; P1166-A1170 PolarHBondContact O-N 2.71Å; E1168-A1170 VanDerWaalsContact C-N 3.3Å; E1168-A1170 PolarHBondContact O-N 3.39Å; A1170-T1174 VanDerWaalsContact O-CB 3.22Å; A1170-T1174 WeakPolarHBondContact O-CB 3.48Å; A1170-T1174 PolarHBondContact O-N 3.31Å; A1170-T1174 PolarHBondContact O-OG1 3.38Å; A1170-L1237 HydrophobicContact CB-CD2 4.07Å; A1170-F1241 HydrophobicContact CB-CD1 4.09Å; A1170-F1241 HydrophobicContact CB-CE1 3.99Å; A1170-L1244 HydrophobicContact CB-CD1 4.04Å |
| 1171 | R | 97.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 10.6 Ų | 10.6 | 6% | 0.06 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 173 | -73.7 | 166.2 | -174.1 | 172.3 | -2.1 | 111.7 | E1146 L1167 E1168 F1169 T1174 L1175 F1384 L1459 | E1146-R1171 PolarHBondContact O-NH1 3.32Å; L1167-R1171 HydrophobicContact CD1-CG 4.42Å; L1167-R1171 VanDerWaalsContact O-CG 3.25Å; L1167-R1171 WeakPolarHBondContact O-CG 3.4Å; L1167-R1171 PolarHBondContact O-N 3.5Å; E1168-R1171 WeakPolarHBondContact O-CB 3.31Å; E1168-R1171 PolarHBondContact O-N 3.36Å; E1168-R1171 VanDerWaalsContact O-N 3.14Å; E1168-R1171 WeakPolarHBondContact OE2-CD 3.42Å; E1168-R1171 IonicContact OE2-CZ 3.51Å; E1168-R1171 IonicContact OE2-NH1 2.96Å; E1168-R1171 PolarHBondContact OE2-NH1 2.92Å; F1169-R1171 PolarHBondContact O-N 3.05Å; R1171-T1174 PolarHBondContact O-N 3.37Å; R1171-L1175 VanDerWaalsContact O-CB 3.29Å; R1171-L1175 WeakPolarHBondContact O-CB 3.36Å; R1171-L1175 PolarHBondContact O-N 3.39Å; R1171-F1384 HydrophobicContact CB-CD2 4.01Å; R1171-F1384 HydrophobicContact CB-CE2 4.33Å; R1171-F1384 HydrophobicContact CB-CG 4.19Å; R1171-F1384 HydrophobicContact CG-CD1 4.18Å; R1171-F1384 HydrophobicContact CG-CD2 4.23Å; R1171-F1384 HydrophobicContact CG-CE1 4.15Å; R1171-F1384 HydrophobicContact CG-CE2 4.18Å; R1171-F1384 HydrophobicContact CG-CG 4.27Å; R1171-F1384 HydrophobicContact CG-CZ 4.18Å; R1171-L1459 PolarHBondContact NH2-O 3.47Å |
| 1172 | Q | 97.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 12 Ų | 12 | 1% | 0.014 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68 | -39.5 | -176.9 | -62 | -57 | -40.5 | 0 | 0 | 112.4 | E1168 F1169 L1175 Y1176 S1385 N1387 V1390 | E1168-Q1172 VanDerWaalsContact O-CG 3.32Å; E1168-Q1172 WeakPolarHBondContact O-CG 3.36Å; E1168-Q1172 PolarHBondContact O-N 3.31Å; E1168-Q1172 PolarHBondContact OE1-NE2 3.05Å; F1169-Q1172 PolarHBondContact O-N 2.87Å; Q1172-L1175 PolarHBondContact O-N 2.82Å; Q1172-Y1176 PolarHBondContact O-N 2.93Å; Q1172-Y1176 VanDerWaalsContact O-N 3.1Å; Q1172-S1385 PolarHBondContact NE2-O 3.39Å; Q1172-N1387 HydrophobicContact CG-CB 4.01Å; Q1172-V1390 HydrophobicContact CB-CB 4.4Å; Q1172-V1390 HydrophobicContact CB-CG1 3.7Å; Q1172-V1390 HydrophobicContact CG-CB 4.33Å; Q1172-V1390 HydrophobicContact CG-CG1 4.11Å |
| 1173 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.2 | -51.4 | 173.6 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | F1169 L1175 Y1176 E1177 F1210 F1241 L1394 | F1169-V1173 HydrophobicContact CD1-CG2 4.09Å; F1169-V1173 HydrophobicContact CE1-CG2 3.92Å; F1169-V1173 HydrophobicContact CZ-CG2 4.22Å; F1169-V1173 WeakPolarHBondContact O-CB 3.27Å; F1169-V1173 VanDerWaalsContact O-CG2 3.26Å; F1169-V1173 WeakPolarHBondContact O-CG2 3.45Å; F1169-V1173 PolarHBondContact O-N 3.22Å; V1173-L1175 VanDerWaalsContact C-N 3.26Å; V1173-L1175 PolarHBondContact O-N 2.87Å; V1173-Y1176 PolarHBondContact O-N 3.15Å; V1173-E1177 HydrophobicContact CG1-CG 4.25Å; V1173-E1177 WeakPolarHBondContact CG1-OE1 3.4Å; V1173-E1177 WeakPolarHBondContact O-CG 3.31Å; V1173-E1177 PolarHBondContact O-N 3.13Å; V1173-F1210 HydrophobicContact CG1-CE1 4.23Å; V1173-F1210 HydrophobicContact CG1-CE2 4.23Å; V1173-F1210 HydrophobicContact CG1-CZ 3.98Å; V1173-F1210 HydrophobicContact CG2-CE2 3.71Å; V1173-F1210 HydrophobicContact CG2-CZ 3.84Å; V1173-F1241 HydrophobicContact CB-CE1 3.96Å; V1173-F1241 HydrophobicContact CB-CZ 4.07Å; V1173-F1241 HydrophobicContact CG1-CE1 3.74Å; V1173-F1241 HydrophobicContact CG1-CZ 3.64Å; V1173-L1394 HydrophobicContact CB-CD1 4.5Å; V1173-L1394 HydrophobicContact CG2-CD1 3.88Å; V1173-L1394 HydrophobicContact CG2-CD2 3.8Å |
| 1174 | T | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.6 | -39.2 | 176.7 | -57 | 0 | 0 | 0 | 0 | 112.4 | A1170 R1171 W1178 N1246 Y1382 | A1170-T1174 VanDerWaalsContact O-CB 3.22Å; A1170-T1174 WeakPolarHBondContact O-CB 3.48Å; A1170-T1174 PolarHBondContact O-N 3.31Å; A1170-T1174 PolarHBondContact O-OG1 3.38Å; R1171-T1174 PolarHBondContact O-N 3.37Å; T1174-W1178 VanDerWaalsContact O-CB 3.24Å; T1174-W1178 WeakPolarHBondContact O-CB 3.26Å; T1174-W1178 PolarHBondContact O-N 2.85Å; T1174-N1246 HydrophobicContact CG2-CB 3.89Å; T1174-N1246 PolarHBondContact OG1-ND2 3.12Å; T1174-Y1382 HydrophobicContact CG2-CD1 4.16Å; T1174-Y1382 HydrophobicContact CG2-CD2 3.95Å; T1174-Y1382 HydrophobicContact CG2-CE1 3.77Å; T1174-Y1382 HydrophobicContact CG2-CE2 3.54Å; T1174-Y1382 HydrophobicContact CG2-CG 4.23Å; T1174-Y1382 VanDerWaalsContact CG2-CZ 3.42Å |
| 1175 | L | 96.5 | Very high | 95 | Very high | 14 Ų | 14 | 17.2 Ų | 17.2 | 7% | 0.073 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 177.6 | -175 | 64.5 | 0 | 0 | 0 | 112.1 | R1171 Q1172 V1173 E1179 F1384 I1386 | R1171-L1175 VanDerWaalsContact O-CB 3.29Å; R1171-L1175 WeakPolarHBondContact O-CB 3.36Å; R1171-L1175 PolarHBondContact O-N 3.39Å; Q1172-L1175 PolarHBondContact O-N 2.82Å; V1173-L1175 VanDerWaalsContact C-N 3.26Å; V1173-L1175 PolarHBondContact O-N 2.87Å; L1175-E1179 WeakPolarHBondContact O-CB 3.43Å; L1175-E1179 PolarHBondContact O-N 3.27Å; L1175-F1384 HydrophobicContact CD2-CB 4.16Å; L1175-I1386 HydrophobicContact CD2-CG1 3.64Å |
| 1176 | Y | 97.4 | Very high | 94.6 | Very high | 29 Ų | 29 | 17.9 Ų | 17.9 | 11% | 0.114 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -72.7 | -44.8 | 178.1 | -176.8 | -134.1 | 0 | 0 | 0 | 112.3 | Q1172 V1173 W1178 E1179 L1180 F1206 R1391 L1394 E1395 | Q1172-Y1176 PolarHBondContact O-N 2.93Å; Q1172-Y1176 VanDerWaalsContact O-N 3.1Å; V1173-Y1176 PolarHBondContact O-N 3.15Å; Y1176-W1178 VanDerWaalsContact C-N 3.35Å; Y1176-W1178 PolarHBondContact O-N 3.07Å; Y1176-E1179 WeakPolarHBondContact O-CA 3.34Å; Y1176-E1179 VanDerWaalsContact O-CB 3.3Å; Y1176-E1179 WeakPolarHBondContact O-CB 3.35Å; Y1176-E1179 PolarHBondContact O-N 3.04Å; Y1176-E1179 VanDerWaalsContact O-N 3.07Å; Y1176-L1180 HydrophobicContact CE1-CD1 4.31Å; Y1176-L1180 HydrophobicContact CE2-CD2 4.38Å; Y1176-L1180 HydrophobicContact CE2-CG 4.41Å; Y1176-L1180 PolarHBondContact O-N 3.47Å; Y1176-F1206 AromaticContact CD1-CD2 3.95Å; Y1176-F1206 HydrophobicContact CD1-CD2 3.95Å; Y1176-F1206 HydrophobicContact CD1-CE1 4.39Å; Y1176-F1206 AromaticContact CD1-CE2 3.62Å; Y1176-F1206 HydrophobicContact CD1-CE2 3.62Å; Y1176-F1206 HydrophobicContact CD1-CG 4.45Å; Y1176-F1206 AromaticContact CD1-CZ 3.87Å; Y1176-F1206 HydrophobicContact CD1-CZ 3.87Å; Y1176-F1206 AromaticContact CE1-CD2 3.49Å; Y1176-F1206 HydrophobicContact CE1-CD2 3.49Å; Y1176-F1206 VanDerWaalsContact CE1-CD2 3.49Å; Y1176-F1206 AromaticContact CE1-CE2 3.52Å; Y1176-F1206 HydrophobicContact CE1-CE2 3.52Å; Y1176-F1206 HydrophobicContact CE1-CG 4.17Å; Y1176-F1206 HydrophobicContact CE1-CZ 4.24Å; Y1176-R1391 VanDerWaalsContact CD2-CZ 3.42Å; Y1176-L1394 HydrophobicContact CD1-CB 3.74Å; Y1176-L1394 HydrophobicContact CD1-CD1 4.36Å; Y1176-L1394 HydrophobicContact CE1-CB 4.04Å; Y1176-L1394 HydrophobicContact CG-CB 4.47Å; Y1176-E1395 HydrophobicContact CE1-CG 4.47Å; Y1176-E1395 HydrophobicContact CE2-CG 3.77Å |
| 1177 | E | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.3 | -64.7 | 166.8 | -177.3 | 0 | 0 | 111.4 | V1173 E1179 L1180 Y1181 F1206 N1246 L1315 | V1173-E1177 HydrophobicContact CG1-CG 4.25Å; V1173-E1177 WeakPolarHBondContact CG1-OE1 3.4Å; V1173-E1177 WeakPolarHBondContact O-CG 3.31Å; V1173-E1177 PolarHBondContact O-N 3.13Å; E1177-E1179 VanDerWaalsContact C-N 3.28Å; E1177-E1179 PolarHBondContact O-N 3.18Å; E1177-L1180 PolarHBondContact O-N 3.09Å; E1177-L1180 VanDerWaalsContact O-N 3.15Å; E1177-Y1181 VanDerWaalsContact O-CB 3.31Å; E1177-Y1181 WeakPolarHBondContact O-CB 3.33Å; E1177-Y1181 PolarHBondContact O-N 3.1Å; E1177-F1206 HydrophobicContact CG-CD1 3.83Å; E1177-F1206 HydrophobicContact CG-CE1 3.52Å; E1177-N1246 PolarHBondContact OE2-ND2 2.98Å; E1177-N1246 PolarHBondContact OE2-OD1 3.36Å; E1177-L1315 HydrophobicContact CB-CD2 3.42Å; E1177-L1315 VanDerWaalsContact CB-CD2 3.42Å; E1177-L1315 HydrophobicContact CG-CD2 4.49Å; E1177-L1315 WeakPolarHBondContact OE2-CD2 3.47Å |
| 1178 | W | 95 | Very high | 93.4 | Very high | 35 Ų | 35 | 19.7 Ų | 19.7 | 13% | 0.133 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.7 | -34.1 | 173.3 | -177.1 | 94.3 | 0 | 0 | 0 | 112.1 | T1174 Y1176 L1180 Y1181 S1182 L1315 T1380 P1381 Y1382 | T1174-W1178 VanDerWaalsContact O-CB 3.24Å; T1174-W1178 WeakPolarHBondContact O-CB 3.26Å; T1174-W1178 PolarHBondContact O-N 2.85Å; Y1176-W1178 VanDerWaalsContact C-N 3.35Å; Y1176-W1178 PolarHBondContact O-N 3.07Å; W1178-L1180 VanDerWaalsContact C-N 3.34Å; W1178-Y1181 PolarHBondContact O-N 3.07Å; W1178-S1182 VanDerWaalsContact O-CB 3.27Å; W1178-S1182 WeakPolarHBondContact O-CB 3.44Å; W1178-S1182 PolarHBondContact O-N 2.04Å; W1178-S1182 PolarHBondContact O-OG 3.28Å; W1178-L1315 HydrophobicContact CB-CD1 4.15Å; W1178-T1380 PolarHBondContact NE1-O 2.8Å; W1178-P1381 HydrophobicContact CH2-CB 3.61Å; W1178-P1381 VanDerWaalsContact CZ2-CA 3.49Å; W1178-P1381 HydrophobicContact CZ2-CB 3.78Å; W1178-P1381 HydrophobicContact CZ3-CB 4.05Å; W1178-Y1382 HydrophobicContact CB-CD2 3.73Å; W1178-Y1382 HydrophobicContact CB-CE2 4.05Å; W1178-Y1382 AromaticContact CD1-CD2 3.65Å; W1178-Y1382 AromaticContact CD1-CE2 3.75Å; W1178-Y1382 HydrophobicContact CD2-CD2 4.46Å; W1178-Y1382 AromaticContact CG-CD2 3.65Å; W1178-Y1382 HydrophobicContact CG-CD2 3.65Å; W1178-Y1382 HydrophobicContact CG-CE2 4.07Å |
| 1179 | E | 94.4 | Very high | 92.7 | Very high | 43 Ų | 43 | 19.6 Ų | 19.6 | 20% | 0.201 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.3 | -32.1 | 173 | -115.1 | -167.5 | -118.6 | 0 | 0 | 113.3 | L1175 Y1176 E1177 S1182 R1183 R1391 | L1175-E1179 WeakPolarHBondContact O-CB 3.43Å; L1175-E1179 PolarHBondContact O-N 3.27Å; Y1176-E1179 WeakPolarHBondContact O-CA 3.34Å; Y1176-E1179 VanDerWaalsContact O-CB 3.3Å; Y1176-E1179 WeakPolarHBondContact O-CB 3.35Å; Y1176-E1179 PolarHBondContact O-N 3.04Å; Y1176-E1179 VanDerWaalsContact O-N 3.07Å; E1177-E1179 VanDerWaalsContact C-N 3.28Å; E1177-E1179 PolarHBondContact O-N 3.18Å; E1179-S1182 PolarHBondContact O-OG 2.84Å; E1179-R1183 VanDerWaalsContact O-CD 3.29Å; E1179-R1183 WeakPolarHBondContact O-CD 3.38Å; E1179-R1183 VanDerWaalsContact O-CG 3.3Å; E1179-R1183 WeakPolarHBondContact O-CG 3.38Å; E1179-R1183 PolarHBondContact O-NE 3.33Å; E1179-R1183 IonicContact OE2-NH2 3.68Å; E1179-R1183 PolarHBondContact OE2-NH2 3.08Å; E1179-R1391 IonicContact OE1-CZ 2.85Å; E1179-R1391 IonicContact OE1-NH1 3.79Å; E1179-R1391 PolarHBondContact OE1-NH1 3Å; E1179-R1391 IonicContact OE1-NH2 3.82Å; E1179-R1391 IonicContact OE2-CZ 2.77Å; E1179-R1391 IonicContact OE2-NH1 3.53Å; E1179-R1391 PolarHBondContact OE2-NH1 3.29Å; E1179-R1391 IonicContact OE2-NH2 3.66Å; E1179-R1391 PolarHBondContact OE2-NH2 3.41Å |
| 1180 | L | 94.1 | Very high | 91.1 | Very high | 11 Ų | 11 | 21 Ų | 21 | 6% | 0.058 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -73.7 | -46.8 | 171.4 | -63.2 | 174.7 | 0 | 0 | 0 | 110.3 | Y1176 E1177 W1178 S1182 R1183 F1206 | Y1176-L1180 HydrophobicContact CE1-CD1 4.31Å; Y1176-L1180 HydrophobicContact CE2-CD2 4.38Å; Y1176-L1180 HydrophobicContact CE2-CG 4.41Å; Y1176-L1180 PolarHBondContact O-N 3.47Å; E1177-L1180 PolarHBondContact O-N 3.09Å; E1177-L1180 VanDerWaalsContact O-N 3.15Å; W1178-L1180 VanDerWaalsContact C-N 3.34Å; L1180-S1182 PolarHBondContact O-N 3.4Å; L1180-R1183 WeakPolarHBondContact O-CB 3.5Å; L1180-R1183 PolarHBondContact O-N 3.28Å; L1180-R1183 VanDerWaalsContact O-N 3.12Å; L1180-F1206 HydrophobicContact CD1-CB 3.63Å; L1180-F1206 HydrophobicContact CD1-CD1 4.35Å; L1180-F1206 HydrophobicContact CD1-CG 3.95Å |
| 1181 | Y | 93.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | -179.4 | -170.3 | -88.2 | 0 | 0 | 0 | 113.5 | E1177 W1178 R1183 I1184 L1315 P1316 I1318 Y1374 F1377 Q1378 | E1177-Y1181 VanDerWaalsContact O-CB 3.31Å; E1177-Y1181 WeakPolarHBondContact O-CB 3.33Å; E1177-Y1181 PolarHBondContact O-N 3.1Å; W1178-Y1181 PolarHBondContact O-N 3.07Å; Y1181-R1183 PolarHBondContact O-N 3.24Å; Y1181-R1183 VanDerWaalsContact O-N 3.16Å; Y1181-I1184 HydrophobicContact CD2-CD1 4.05Å; Y1181-I1184 HydrophobicContact CG-CD1 4.37Å; Y1181-I1184 WeakPolarHBondContact O-CB 3.37Å; Y1181-I1184 WeakPolarHBondContact O-CG1 3.42Å; Y1181-I1184 PolarHBondContact O-N 3.33Å; Y1181-I1184 VanDerWaalsContact O-N 3.12Å; Y1181-L1315 HydrophobicContact CD1-CD1 3.91Å; Y1181-L1315 HydrophobicContact CD2-CD1 3.74Å; Y1181-L1315 HydrophobicContact CE2-CD1 4.41Å; Y1181-L1315 HydrophobicContact CG-CD1 3.46Å; Y1181-L1315 VanDerWaalsContact CG-CD1 3.46Å; Y1181-P1316 WeakPolarHBondContact CE2-O 3.22Å; Y1181-P1316 WeakPolarHBondContact OH-CG 3.29Å; Y1181-I1318 HydrophobicContact CD2-CD1 4.41Å; Y1181-I1318 HydrophobicContact CE2-CD1 3.53Å; Y1181-I1318 HydrophobicContact CE2-CG1 3.91Å; Y1181-Y1374 PolarHBondContact OH-O 3.05Å; Y1181-F1377 HydrophobicContact CE1-CB 4.4Å; Y1181-Q1378 HydrophobicContact CD1-CG 3.88Å; Y1181-Q1378 HydrophobicContact CE1-CG 3.83Å; Y1181-Q1378 PolarHBondContact O-NE2 2.93Å |
| 1182 | S | 92.1 | Very high | 87.5 | Confident | 40 Ų | 40 | 26.5 Ų | 26.5 | 28% | 0.28 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -7.6 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | W1178 E1179 L1180 | W1178-S1182 VanDerWaalsContact O-CB 3.27Å; W1178-S1182 WeakPolarHBondContact O-CB 3.44Å; W1178-S1182 PolarHBondContact O-N 2.04Å; W1178-S1182 PolarHBondContact O-OG 3.28Å; E1179-S1182 PolarHBondContact O-OG 2.84Å; L1180-S1182 PolarHBondContact O-N 3.4Å |
| 1183 | R | 91.5 | Very high | 85.4 | Confident | 113 Ų | 113 | 33.7 Ų | 33.7 | 43% | 0.426 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -13 | 173.6 | -58.3 | 167.9 | -159.7 | -169.1 | 4 | 113.1 | E1179 L1180 Y1181 E1185 N1199 | E1179-R1183 VanDerWaalsContact O-CD 3.29Å; E1179-R1183 WeakPolarHBondContact O-CD 3.38Å; E1179-R1183 VanDerWaalsContact O-CG 3.3Å; E1179-R1183 WeakPolarHBondContact O-CG 3.38Å; E1179-R1183 PolarHBondContact O-NE 3.33Å; E1179-R1183 IonicContact OE2-NH2 3.68Å; E1179-R1183 PolarHBondContact OE2-NH2 3.08Å; L1180-R1183 WeakPolarHBondContact O-CB 3.5Å; L1180-R1183 PolarHBondContact O-N 3.28Å; L1180-R1183 VanDerWaalsContact O-N 3.12Å; Y1181-R1183 PolarHBondContact O-N 3.24Å; Y1181-R1183 VanDerWaalsContact O-N 3.16Å; R1183-E1185 PolarHBondContact O-N 3.46Å; R1183-N1199 HydrophobicContact CB-CB 4.01Å; R1183-N1199 VanDerWaalsContact O-CG 3.31Å; R1183-N1199 PolarHBondContact O-ND2 3.34Å |
| 1184 | I | 90.1 | Very high | 83.5 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | trans | -67.4 | 116.2 | 179.9 | -57.5 | 174.1 | 0 | 0 | 0 | 109.2 | Y1181 E1188 V1189 N1199 F1200 I1318 L1375 Q1378 | Y1181-I1184 HydrophobicContact CD2-CD1 4.05Å; Y1181-I1184 HydrophobicContact CG-CD1 4.37Å; Y1181-I1184 WeakPolarHBondContact O-CB 3.37Å; Y1181-I1184 WeakPolarHBondContact O-CG1 3.42Å; Y1181-I1184 PolarHBondContact O-N 3.33Å; Y1181-I1184 VanDerWaalsContact O-N 3.12Å; I1184-E1188 HydrophobicContact CG2-CB 4.12Å; I1184-V1189 HydrophobicContact CG2-CG2 3.58Å; I1184-N1199 HydrophobicContact CG1-CB 4.24Å; I1184-F1200 HydrophobicContact CD1-CD2 4.12Å; I1184-F1200 HydrophobicContact CG2-CB 4.25Å; I1184-F1200 HydrophobicContact CG2-CD2 4.25Å; I1184-I1318 HydrophobicContact CD1-CD1 4.48Å; I1184-L1375 HydrophobicContact CG2-CD2 4.36Å; I1184-Q1378 PolarHBondContact O-NE2 2.96Å | ||
| 1185 | E | 87.6 | Confident | 81.8 | Confident | 30 Ų | 30 | 46.9 Ų | 46.9 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | trans | -93.5 | 157.5 | 176.1 | -61.5 | -109.5 | -151.6 | 0 | 0 | 111.1 | S1090 K1093 R1183 W1187 E1188 | S1090-E1185 WeakPolarHBondContact CB-OE2 3.28Å; S1090-E1185 PolarHBondContact OG-OE2 3.46Å; K1093-E1185 WeakPolarHBondContact CD-OE1 3.34Å; K1093-E1185 IonicContact NZ-OE1 3.71Å; K1093-E1185 PolarHBondContact NZ-OE1 2.8Å; R1183-E1185 PolarHBondContact O-N 3.46Å; E1185-W1187 HydrophobicContact CB-CD2 3.88Å; E1185-W1187 HydrophobicContact CB-CE3 3.81Å; E1185-W1187 HydrophobicContact CB-CH2 3.38Å; E1185-W1187 HydrophobicContact CB-CZ2 3.4Å; E1185-W1187 HydrophobicContact CB-CZ3 3.58Å; E1185-W1187 VanDerWaalsContact CD-CH2 3.46Å; E1185-W1187 HydrophobicContact CG-CH2 3.59Å; E1185-W1187 HydrophobicContact CG-CZ2 3.71Å; E1185-W1187 HydrophobicContact CG-CZ3 4.19Å; E1185-W1187 PolarHBondContact O-N 2.97Å; E1185-E1188 PolarHBondContact N-OE1 3.38Å; E1185-E1188 WeakPolarHBondContact O-CB 3.37Å; E1185-E1188 WeakPolarHBondContact O-CG 3.34Å; E1185-E1188 PolarHBondContact O-N 3Å | ||
| 1186 | F | 86.5 | Confident | 80.5 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25 | -166.7 | 77.9 | -91.9 | 0 | 0 | 0 | 115.7 | L1012 Y1091 L1094 E1188 V1371 L1375 | L1012-F1186 HydrophobicContact CB-CD2 4.2Å; L1012-F1186 HydrophobicContact CB-CE2 4.36Å; L1012-F1186 HydrophobicContact CD2-CB 4.17Å; L1012-F1186 HydrophobicContact CD2-CD2 4Å; L1012-F1186 HydrophobicContact CD2-CG 4.26Å; L1012-F1186 HydrophobicContact CG-CD2 3.78Å; L1012-F1186 HydrophobicContact CG-CE2 4.26Å; L1012-F1186 HydrophobicContact CG-CG 4.22Å; Y1091-F1186 HydrophobicContact CD1-CD1 4.35Å; Y1091-F1186 AromaticContact CD1-CE1 3.33Å; Y1091-F1186 HydrophobicContact CD1-CE1 3.33Å; Y1091-F1186 HydrophobicContact CD1-CE2 4.48Å; Y1091-F1186 AromaticContact CD1-CZ 3.44Å; Y1091-F1186 HydrophobicContact CD1-CZ 3.44Å; Y1091-F1186 VanDerWaalsContact CD1-CZ 3.44Å; Y1091-F1186 HydrophobicContact CE1-CD1 4.17Å; Y1091-F1186 AromaticContact CE1-CE1 3.52Å; Y1091-F1186 HydrophobicContact CE1-CE1 3.52Å; Y1091-F1186 HydrophobicContact CE1-CE2 4.34Å; Y1091-F1186 AromaticContact CE1-CZ 3.65Å; Y1091-F1186 HydrophobicContact CE1-CZ 3.65Å; L1094-F1186 HydrophobicContact CD2-CE2 4.48Å; L1094-F1186 HydrophobicContact CD2-CZ 3.95Å; F1186-E1188 VanDerWaalsContact C-N 3.29Å; F1186-V1371 HydrophobicContact CB-CG1 3.78Å; F1186-L1375 HydrophobicContact CB-CD1 3.74Å |
| 1187 | W | 82.8 | Confident | 79.7 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -16.5 | 177.5 | 57.4 | 83.5 | 0 | 0 | 0 | 113.5 | S1090 K1093 L1094 E1185 V1189 T1190 I1195 | S1090-W1187 WeakPolarHBondContact O-CZ3 3.4Å; K1093-W1187 HydrophobicContact CB-CH2 4.11Å; K1093-W1187 HydrophobicContact CD-CH2 4.35Å; L1094-W1187 HydrophobicContact CB-CD2 4.29Å; L1094-W1187 HydrophobicContact CB-CE3 3.94Å; L1094-W1187 HydrophobicContact CB-CH2 4.3Å; L1094-W1187 HydrophobicContact CB-CZ3 3.95Å; L1094-W1187 HydrophobicContact CD1-CB 4.41Å; L1094-W1187 HydrophobicContact CD1-CD2 3.91Å; L1094-W1187 HydrophobicContact CD1-CE3 4.4Å; L1094-W1187 HydrophobicContact CD1-CG 3.92Å; L1094-W1187 HydrophobicContact CD2-CB 3.71Å; L1094-W1187 HydrophobicContact CD2-CD2 3.8Å; L1094-W1187 HydrophobicContact CD2-CE3 3.65Å; L1094-W1187 HydrophobicContact CD2-CG 3.86Å; L1094-W1187 HydrophobicContact CD2-CZ3 4.45Å; L1094-W1187 HydrophobicContact CG-CD2 4.23Å; L1094-W1187 HydrophobicContact CG-CE3 4.23Å; L1094-W1187 HydrophobicContact CG-CG 4.47Å; E1185-W1187 HydrophobicContact CB-CD2 3.88Å; E1185-W1187 HydrophobicContact CB-CE3 3.81Å; E1185-W1187 HydrophobicContact CB-CH2 3.38Å; E1185-W1187 HydrophobicContact CB-CZ2 3.4Å; E1185-W1187 HydrophobicContact CB-CZ3 3.58Å; E1185-W1187 VanDerWaalsContact CD-CH2 3.46Å; E1185-W1187 HydrophobicContact CG-CH2 3.59Å; E1185-W1187 HydrophobicContact CG-CZ2 3.71Å; E1185-W1187 HydrophobicContact CG-CZ3 4.19Å; E1185-W1187 PolarHBondContact O-N 2.97Å; W1187-V1189 VanDerWaalsContact C-N 3.35Å; W1187-T1190 WeakPolarHBondContact O-CB 3.46Å; W1187-T1190 WeakPolarHBondContact O-CG2 3.26Å; W1187-T1190 PolarHBondContact O-OG1 2.77Å; W1187-I1195 WeakPolarHBondContact O-CG2 3.47Å |
| 1188 | E | 83.5 | Confident | 79.2 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -26.3 | 177.4 | -50.4 | -171.3 | -125.7 | 0 | 0 | 111 | I1184 E1185 F1186 T1190 S1197 P1198 N1199 F1200 | I1184-E1188 HydrophobicContact CG2-CB 4.12Å; E1185-E1188 PolarHBondContact N-OE1 3.38Å; E1185-E1188 WeakPolarHBondContact O-CB 3.37Å; E1185-E1188 WeakPolarHBondContact O-CG 3.34Å; E1185-E1188 PolarHBondContact O-N 3Å; F1186-E1188 VanDerWaalsContact C-N 3.29Å; E1188-T1190 VanDerWaalsContact C-N 3.3Å; E1188-T1190 PolarHBondContact O-N 2.31Å; E1188-S1197 WeakPolarHBondContact OE2-CA 3.41Å; E1188-P1198 WeakPolarHBondContact OE2-CD 3.24Å; E1188-P1198 VanDerWaalsContact OE2-N 3.12Å; E1188-N1199 PolarHBondContact OE1-ND2 3.43Å; E1188-N1199 WeakPolarHBondContact OE2-CA 3.07Å; E1188-N1199 WeakPolarHBondContact OE2-CB 3.1Å; E1188-N1199 PolarHBondContact OE2-N 2.83Å; E1188-F1200 HydrophobicContact CB-CB 3.98Å; E1188-F1200 PolarHBondContact OE2-N 2.95Å; E1188-F1200 VanDerWaalsContact OE2-N 3.09Å |
| 1189 | V | 80.7 | Confident | 79 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -91.8 | 54.4 | -180 | -165.2 | 0 | 0 | 0 | 0 | 110.6 | I1184 W1187 I1318 L1326 V1371 L1375 | I1184-V1189 HydrophobicContact CG2-CG2 3.58Å; W1187-V1189 VanDerWaalsContact C-N 3.35Å; V1189-I1318 HydrophobicContact CG1-CG2 4.09Å; V1189-I1318 HydrophobicContact CG2-CD1 4.48Å; V1189-L1326 HydrophobicContact CG1-CD1 4.48Å; V1189-L1326 HydrophobicContact CG1-CD2 3.86Å; V1189-V1371 HydrophobicContact CB-CG1 4.33Å; V1189-V1371 HydrophobicContact CB-CG2 4.19Å; V1189-V1371 HydrophobicContact CG1-CG2 4.09Å; V1189-V1371 WeakPolarHBondContact O-CG2 3.36Å; V1189-L1375 HydrophobicContact CG2-CD2 4.33Å |
| 1190 | T | 63.8 | Low | 78.7 | Confident | 33 Ų | 33 | 59 Ų | 59 | 20% | 0.202 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -114.6 | -3.7 | -168.6 | 44.1 | 0 | 0 | 0 | 0 | 116.2 | W1187 E1188 K1192 I1195 | W1187-T1190 WeakPolarHBondContact O-CB 3.46Å; W1187-T1190 WeakPolarHBondContact O-CG2 3.26Å; W1187-T1190 PolarHBondContact O-OG1 2.77Å; E1188-T1190 VanDerWaalsContact C-N 3.3Å; E1188-T1190 PolarHBondContact O-N 2.31Å; T1190-K1192 PolarHBondContact O-N 2.93Å; T1190-I1195 HydrophobicContact CG2-CD1 4.21Å |
| 1191 | G | 59.4 | Low | 78.3 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 46% | 0.464 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 67.1 | -0.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1192 | K | 60.4 | Low | 78.1 | Confident | 85 Ų | 85 | 66.4 Ų | 66.4 | 37% | 0.37 | 33% | 0.33 | S | S | . | . | trans | -114.9 | 112 | 176 | -81.5 | 171.2 | 171.9 | 151.8 | 0 | 109.7 | T1190 K1194 I1195 E1330 D1335 | T1190-K1192 PolarHBondContact O-N 2.93Å; K1192-K1194 PolarHBondContact O-N 2.72Å; K1192-I1195 PolarHBondContact O-N 3.46Å; K1192-E1330 WeakPolarHBondContact CD-OE1 3.16Å; K1192-E1330 WeakPolarHBondContact CE-OE1 3.41Å; K1192-E1330 HydrophobicContact CG-CG 4.29Å; K1192-E1330 WeakPolarHBondContact CG-OE1 3.45Å; K1192-E1330 IonicContact NZ-OE1 2.64Å; K1192-E1330 PolarHBondContact NZ-OE1 3.34Å; K1192-D1335 IonicContact NZ-OD2 2.73Å; K1192-D1335 PolarHBondContact NZ-OD2 3.32Å | ||
| 1193 | E | 53.4 | Low | 78.1 | Confident | 154 Ų | 154 | 65.1 Ų | 65.1 | 72% | 0.72 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -13.4 | -177.3 | -56.7 | 176.1 | 138.7 | 0 | 0 | 115.5 | ||
| 1194 | K | 56.3 | Low | 77.9 | Confident | 208 Ų | 208 | 62 Ų | 62 | 90% | 0.904 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.1 | -177.2 | -63.5 | -176.7 | 178.9 | 179.2 | 0 | 114.3 | K1192 | K1192-K1194 PolarHBondContact O-N 2.72Š|
| 1195 | I | 62.5 | Low | 77.9 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 35% | 0.354 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -93.6 | 130.5 | 178.1 | -62.5 | 176.9 | 0 | 0 | 0 | 109 | W1187 T1190 K1192 S1197 | W1187-I1195 WeakPolarHBondContact O-CG2 3.47Å; T1190-I1195 HydrophobicContact CG2-CD1 4.21Å; K1192-I1195 PolarHBondContact O-N 3.46Å; I1195-S1197 PolarHBondContact O-N 3.44Å; I1195-S1197 VanDerWaalsContact O-N 3.13Å |
| 1196 | K | 70 | Confident | 78.3 | Confident | 187 Ų | 187 | 64.5 Ų | 64.5 | 81% | 0.813 | 32% | 0.324 | S | S | * | . | trans | -64.9 | 114 | 177.6 | -70.9 | -174.5 | 177.1 | -177.7 | 0 | 110.4 | P1198 | K1196-P1198 VanDerWaalsContact O-CD 3.22Å; K1196-P1198 WeakPolarHBondContact O-CD 3.33Å | ||
| 1197 | S | 80.5 | Confident | 78.6 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | trans | -117.2 | 53.9 | -174.3 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | E1188 I1195 N1199 F1200 E1201 | E1188-S1197 WeakPolarHBondContact OE2-CA 3.41Å; I1195-S1197 PolarHBondContact O-N 3.44Å; I1195-S1197 VanDerWaalsContact O-N 3.13Å; S1197-N1199 PolarHBondContact O-N 2.85Å; S1197-F1200 PolarHBondContact O-N 2.88Å; S1197-E1201 WeakPolarHBondContact O-CB 3.01Å; S1197-E1201 PolarHBondContact O-N 3.04Å | ||
| 1198 | P | 86.4 | Confident | 79 | Confident | 71 Ų | 71 | 63 Ų | 63 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -33.7 | -164.8 | 28.7 | -37.3 | 0 | 0 | 0 | 115.1 | E1188 K1196 L1202 | E1188-P1198 WeakPolarHBondContact OE2-CD 3.24Å; E1188-P1198 VanDerWaalsContact OE2-N 3.12Å; K1196-P1198 VanDerWaalsContact O-CD 3.22Å; K1196-P1198 WeakPolarHBondContact O-CD 3.33Å; P1198-L1202 WeakPolarHBondContact O-CB 3.43Å; P1198-L1202 WeakPolarHBondContact O-CD1 3.29Å; P1198-L1202 WeakPolarHBondContact O-CG 3.48Å; P1198-L1202 PolarHBondContact O-N 2.8Å |
| 1199 | N | 90 | Very high | 79.5 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -80.1 | -37.9 | 179.4 | -55.8 | -72.1 | 0 | 0 | 0 | 110.7 | R1183 I1184 E1188 S1197 L1202 S1203 | R1183-N1199 HydrophobicContact CB-CB 4.01Å; R1183-N1199 VanDerWaalsContact O-CG 3.31Å; R1183-N1199 PolarHBondContact O-ND2 3.34Å; I1184-N1199 HydrophobicContact CG1-CB 4.24Å; E1188-N1199 PolarHBondContact OE1-ND2 3.43Å; E1188-N1199 WeakPolarHBondContact OE2-CA 3.07Å; E1188-N1199 WeakPolarHBondContact OE2-CB 3.1Å; E1188-N1199 PolarHBondContact OE2-N 2.83Å; S1197-N1199 PolarHBondContact O-N 2.85Å; N1199-L1202 PolarHBondContact O-N 2.74Å; N1199-S1203 PolarHBondContact O-N 2.84Å |
| 1200 | F | 87.3 | Confident | 80.2 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 172.7 | -175.2 | -91.6 | 0 | 0 | 0 | 111.1 | I1184 E1188 S1197 S1203 L1204 I1318 | I1184-F1200 HydrophobicContact CD1-CD2 4.12Å; I1184-F1200 HydrophobicContact CG2-CB 4.25Å; I1184-F1200 HydrophobicContact CG2-CD2 4.25Å; E1188-F1200 HydrophobicContact CB-CB 3.98Å; E1188-F1200 PolarHBondContact OE2-N 2.95Å; E1188-F1200 VanDerWaalsContact OE2-N 3.09Å; S1197-F1200 PolarHBondContact O-N 2.88Å; F1200-S1203 WeakPolarHBondContact O-CB 2.88Å; F1200-S1203 PolarHBondContact O-N 3.17Å; F1200-L1204 PolarHBondContact O-N 3.48Å; F1200-I1318 HydrophobicContact CE2-CB 3.96Å; F1200-I1318 HydrophobicContact CE2-CD1 4.13Å; F1200-I1318 HydrophobicContact CE2-CG2 3.71Å; F1200-I1318 HydrophobicContact CZ-CG2 4.2Å |
| 1201 | E | 85.5 | Confident | 81.7 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 176.2 | -178 | 59.9 | -155.9 | 0 | 0 | 111.7 | S1197 S1203 L1204 Q1205 | S1197-E1201 WeakPolarHBondContact O-CB 3.01Å; S1197-E1201 PolarHBondContact O-N 3.04Å; E1201-S1203 VanDerWaalsContact C-N 3.31Å; E1201-S1203 PolarHBondContact O-N 3.03Å; E1201-L1204 PolarHBondContact O-N 3.27Å; E1201-Q1205 HydrophobicContact CG-CG 4.48Å; E1201-Q1205 WeakPolarHBondContact O-CB 3.3Å; E1201-Q1205 VanDerWaalsContact O-CG 3.3Å; E1201-Q1205 WeakPolarHBondContact O-CG 3.19Å; E1201-Q1205 PolarHBondContact O-N 3.26Å; E1201-Q1205 WeakPolarHBondContact OE1-CG 3.06Å; E1201-Q1205 PolarHBondContact OE1-NE2 3.28Å |
| 1202 | L | 90.7 | Very high | 83.5 | Confident | 92 Ų | 92 | 63.1 Ų | 63.1 | 48% | 0.482 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 174 | -77.9 | 168.1 | 0 | 0 | 0 | 112.6 | P1198 N1199 F1206 | P1198-L1202 WeakPolarHBondContact O-CB 3.43Å; P1198-L1202 WeakPolarHBondContact O-CD1 3.29Å; P1198-L1202 WeakPolarHBondContact O-CG 3.48Å; P1198-L1202 PolarHBondContact O-N 2.8Å; N1199-L1202 PolarHBondContact O-N 2.74Å; L1202-F1206 PolarHBondContact O-N 3.44Å |
| 1203 | S | 91.9 | Very high | 85.2 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 175.7 | -161.7 | 0 | 0 | 0 | 0 | 111.9 | N1199 F1200 E1201 F1206 S1207 | N1199-S1203 PolarHBondContact O-N 2.84Å; F1200-S1203 WeakPolarHBondContact O-CB 2.88Å; F1200-S1203 PolarHBondContact O-N 3.17Å; E1201-S1203 VanDerWaalsContact C-N 3.31Å; E1201-S1203 PolarHBondContact O-N 3.03Å; S1203-F1206 PolarHBondContact O-N 3.25Å; S1203-S1207 PolarHBondContact O-N 3.37Å; S1203-S1207 VanDerWaalsContact O-N 3.1Å |
| 1204 | L | 87.8 | Confident | 87.3 | Confident | 48 Ų | 48 | 53 Ų | 53 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 178.2 | -176.6 | 61.5 | 0 | 0 | 0 | 112 | F1200 E1201 F1206 S1207 N1208 | F1200-L1204 PolarHBondContact O-N 3.48Å; E1201-L1204 PolarHBondContact O-N 3.27Å; L1204-F1206 VanDerWaalsContact C-N 3.34Å; L1204-F1206 PolarHBondContact O-N 3.03Å; L1204-S1207 WeakPolarHBondContact O-CB 3.1Å; L1204-S1207 PolarHBondContact O-N 3.13Å; L1204-N1208 PolarHBondContact O-N 3.25Å |
| 1205 | Q | 89.8 | Confident | 89.3 | Confident | 74 Ų | 74 | 43.2 Ų | 43.2 | 35% | 0.346 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.5 | -37 | 175.7 | -73.7 | -176.6 | 16.7 | 0 | 0 | 112.3 | E1201 K1209 | E1201-Q1205 HydrophobicContact CG-CG 4.48Å; E1201-Q1205 WeakPolarHBondContact O-CB 3.3Å; E1201-Q1205 VanDerWaalsContact O-CG 3.3Å; E1201-Q1205 WeakPolarHBondContact O-CG 3.19Å; E1201-Q1205 PolarHBondContact O-N 3.26Å; E1201-Q1205 WeakPolarHBondContact OE1-CG 3.06Å; E1201-Q1205 PolarHBondContact OE1-NE2 3.28Å; Q1205-K1209 WeakPolarHBondContact O-CB 3.48Å; Q1205-K1209 VanDerWaalsContact O-CD 3.26Å; Q1205-K1209 WeakPolarHBondContact O-CD 3.35Å; Q1205-K1209 WeakPolarHBondContact O-CG 3.47Å; Q1205-K1209 PolarHBondContact O-N 2.84Å; Q1205-K1209 VanDerWaalsContact O-N 3.1Å |
| 1206 | F | 94.5 | Very high | 90.8 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -49.8 | 172 | 176.2 | -95.8 | 0 | 0 | 0 | 111.1 | Y1176 E1177 L1180 L1202 S1203 L1204 N1208 K1209 F1210 L1394 L1397 | Y1176-F1206 AromaticContact CD1-CD2 3.95Å; Y1176-F1206 HydrophobicContact CD1-CD2 3.95Å; Y1176-F1206 HydrophobicContact CD1-CE1 4.39Å; Y1176-F1206 AromaticContact CD1-CE2 3.62Å; Y1176-F1206 HydrophobicContact CD1-CE2 3.62Å; Y1176-F1206 HydrophobicContact CD1-CG 4.45Å; Y1176-F1206 AromaticContact CD1-CZ 3.87Å; Y1176-F1206 HydrophobicContact CD1-CZ 3.87Å; Y1176-F1206 AromaticContact CE1-CD2 3.49Å; Y1176-F1206 HydrophobicContact CE1-CD2 3.49Å; Y1176-F1206 VanDerWaalsContact CE1-CD2 3.49Å; Y1176-F1206 AromaticContact CE1-CE2 3.52Å; Y1176-F1206 HydrophobicContact CE1-CE2 3.52Å; Y1176-F1206 HydrophobicContact CE1-CG 4.17Å; Y1176-F1206 HydrophobicContact CE1-CZ 4.24Å; E1177-F1206 HydrophobicContact CG-CD1 3.83Å; E1177-F1206 HydrophobicContact CG-CE1 3.52Å; L1180-F1206 HydrophobicContact CD1-CB 3.63Å; L1180-F1206 HydrophobicContact CD1-CD1 4.35Å; L1180-F1206 HydrophobicContact CD1-CG 3.95Å; L1202-F1206 PolarHBondContact O-N 3.44Å; S1203-F1206 PolarHBondContact O-N 3.25Å; L1204-F1206 VanDerWaalsContact C-N 3.34Å; L1204-F1206 PolarHBondContact O-N 3.03Å; F1206-N1208 VanDerWaalsContact C-N 3.33Å; F1206-N1208 PolarHBondContact O-N 3.44Å; F1206-K1209 CarbonylContact O-C 3.55Å; F1206-K1209 WeakPolarHBondContact O-CB 3.12Å; F1206-K1209 PolarHBondContact O-N 3.42Å; F1206-F1210 HydrophobicContact CE1-CB 4.13Å; F1206-F1210 HydrophobicContact CE1-CG 4.46Å; F1206-F1210 HydrophobicContact CZ-CB 4.14Å; F1206-F1210 HydrophobicContact CZ-CD2 4.11Å; F1206-F1210 HydrophobicContact CZ-CG 4.32Å; F1206-F1210 PolarHBondContact O-N 2.91Å; F1206-L1394 HydrophobicContact CE2-CB 4.36Å; F1206-L1394 HydrophobicContact CE2-CD2 4.38Å; F1206-L1394 HydrophobicContact CZ-CD2 4.18Å; F1206-L1397 HydrophobicContact CE2-CD2 4.2Å |
| 1207 | S | 93.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -48.6 | -51.3 | 176.1 | 151.9 | 0 | 0 | 0 | 0 | 112.4 | S1203 L1204 K1209 F1210 K1211 Q1248 E1252 | S1203-S1207 PolarHBondContact O-N 3.37Å; S1203-S1207 VanDerWaalsContact O-N 3.1Å; L1204-S1207 WeakPolarHBondContact O-CB 3.1Å; L1204-S1207 PolarHBondContact O-N 3.13Å; S1207-K1209 PolarHBondContact O-N 3.19Å; S1207-F1210 PolarHBondContact O-N 2.78Å; S1207-K1211 WeakPolarHBondContact O-CB 3.32Å; S1207-K1211 PolarHBondContact O-N 2.93Å; S1207-Q1248 PolarHBondContact OG-NE2 2.91Å; S1207-E1252 VanDerWaalsContact CA-CD 3.49Å; S1207-E1252 VanDerWaalsContact CA-OE1 3.28Å; S1207-E1252 WeakPolarHBondContact CA-OE1 3.42Å; S1207-E1252 WeakPolarHBondContact CB-OE1 3.26Å; S1207-E1252 PolarHBondContact OG-OE1 3.09Å |
| 1208 | N | 91.3 | Very high | 92.8 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 10% | 0.096 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.5 | -37.1 | -179.9 | -72.9 | 12.8 | 0 | 0 | 0 | 112.5 | L1204 F1206 C1212 E1408 | L1204-N1208 PolarHBondContact O-N 3.25Å; F1206-N1208 VanDerWaalsContact C-N 3.33Å; F1206-N1208 PolarHBondContact O-N 3.44Å; N1208-C1212 WeakPolarHBondContact O-CB 3.26Å; N1208-C1212 PolarHBondContact O-N 2.66Å; N1208-C1212 PolarHBondContact O-SG 2.99Å; N1208-E1408 VanDerWaalsContact CB-OE1 3.32Å; N1208-E1408 WeakPolarHBondContact CB-OE1 3.43Å; N1208-E1408 PolarHBondContact ND2-OE1 3.02Å |
| 1209 | K | 94.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 27.8 Ų | 27.8 | 27% | 0.274 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 174 | -72.8 | 162.8 | -178.1 | 171.3 | 0 | 111.8 | Q1205 F1206 S1207 W1213 L1397 P1399 | Q1205-K1209 WeakPolarHBondContact O-CB 3.48Å; Q1205-K1209 VanDerWaalsContact O-CD 3.26Å; Q1205-K1209 WeakPolarHBondContact O-CD 3.35Å; Q1205-K1209 WeakPolarHBondContact O-CG 3.47Å; Q1205-K1209 PolarHBondContact O-N 2.84Å; Q1205-K1209 VanDerWaalsContact O-N 3.1Å; F1206-K1209 CarbonylContact O-C 3.55Å; F1206-K1209 WeakPolarHBondContact O-CB 3.12Å; F1206-K1209 PolarHBondContact O-N 3.42Å; S1207-K1209 PolarHBondContact O-N 3.19Å; K1209-W1213 WeakPolarHBondContact O-CB 3.47Å; K1209-W1213 PolarHBondContact O-N 3.48Å; K1209-L1397 WeakPolarHBondContact CD-O 3.26Å; K1209-P1399 WeakPolarHBondContact O-CG 3.39Å |
| 1210 | F | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69 | -47.5 | 176.7 | -167.7 | -106.2 | 0 | 0 | 0 | 111.3 | F1169 V1173 F1206 S1207 C1212 W1213 L1214 L1237 F1241 E1252 L1394 L1397 | F1169-F1210 AromaticContact CE1-CE2 3.7Å; F1169-F1210 HydrophobicContact CE1-CE2 3.7Å; F1169-F1210 AromaticContact CE1-CZ 3.77Å; F1169-F1210 HydrophobicContact CE1-CZ 3.77Å; F1169-F1210 HydrophobicContact CZ-CE2 4.04Å; V1173-F1210 HydrophobicContact CG1-CE1 4.23Å; V1173-F1210 HydrophobicContact CG1-CE2 4.23Å; V1173-F1210 HydrophobicContact CG1-CZ 3.98Å; V1173-F1210 HydrophobicContact CG2-CE2 3.71Å; V1173-F1210 HydrophobicContact CG2-CZ 3.84Å; F1206-F1210 HydrophobicContact CE1-CB 4.13Å; F1206-F1210 HydrophobicContact CE1-CG 4.46Å; F1206-F1210 HydrophobicContact CZ-CB 4.14Å; F1206-F1210 HydrophobicContact CZ-CD2 4.11Å; F1206-F1210 HydrophobicContact CZ-CG 4.32Å; F1206-F1210 PolarHBondContact O-N 2.91Å; S1207-F1210 PolarHBondContact O-N 2.78Å; F1210-C1212 PolarHBondContact O-N 2.91Å; F1210-W1213 HydrophobicContact CD2-CE3 4.26Å; F1210-W1213 HydrophobicContact CE2-CE3 4.05Å; F1210-W1213 HydrophobicContact CE2-CZ3 4.02Å; F1210-W1213 HydrophobicContact CZ-CZ3 4.49Å; F1210-W1213 PolarHBondContact O-N 3.49Å; F1210-W1213 VanDerWaalsContact O-N 3.12Å; F1210-L1214 HydrophobicContact CD1-CD1 3.95Å; F1210-L1214 HydrophobicContact CD1-CG 4.33Å; F1210-L1214 HydrophobicContact CE1-CD1 3.76Å; F1210-L1214 HydrophobicContact CE1-CD2 4.33Å; F1210-L1214 HydrophobicContact CE1-CG 4.19Å; F1210-L1214 HydrophobicContact CZ-CD1 4.5Å; F1210-L1214 HydrophobicContact CZ-CD2 4.28Å; F1210-L1214 WeakPolarHBondContact O-CG 3.18Å; F1210-L1214 PolarHBondContact O-N 3.18Å; F1210-L1237 HydrophobicContact CZ-CD1 4.39Å; F1210-F1241 HydrophobicContact CE1-CE2 4.13Å; F1210-F1241 HydrophobicContact CE1-CZ 4.02Å; F1210-F1241 HydrophobicContact CZ-CZ 4.2Å; F1210-E1252 WeakPolarHBondContact CB-OE2 3.5Å; F1210-E1252 HydrophobicContact CD1-CB 4.28Å; F1210-E1252 WeakPolarHBondContact CD1-OE2 3.5Å; F1210-L1394 HydrophobicContact CE2-CD2 4.44Å; F1210-L1397 HydrophobicContact CB-CD2 4.38Å; F1210-L1397 HydrophobicContact CD2-CD2 4.02Å |
| 1211 | K | 95 | Very high | 93.7 | Very high | 30 Ų | 30 | 26.2 Ų | 26.2 | 13% | 0.13 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -46.8 | -55.7 | 168.1 | 178.9 | -147.8 | 73.3 | 171.8 | 0 | 111.7 | S1207 W1213 L1214 V1215 A1255 E1408 | S1207-K1211 WeakPolarHBondContact O-CB 3.32Å; S1207-K1211 PolarHBondContact O-N 2.93Å; K1211-W1213 VanDerWaalsContact C-N 3.34Å; K1211-W1213 PolarHBondContact O-N 2.98Å; K1211-L1214 PolarHBondContact O-N 3.04Å; K1211-V1215 WeakPolarHBondContact O-CG2 3.1Å; K1211-V1215 PolarHBondContact O-N 2.84Å; K1211-V1215 VanDerWaalsContact O-N 3.08Å; K1211-A1255 HydrophobicContact CG-CB 4.42Å; K1211-E1408 IonicContact NZ-OE2 2.69Å; K1211-E1408 PolarHBondContact NZ-OE2 3.25Å |
| 1212 | C | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.3 | -35.3 | -179.1 | -71.8 | 0 | 0 | 0 | 0 | 112.6 | N1208 F1210 V1215 S1216 P1399 F1411 | N1208-C1212 WeakPolarHBondContact O-CB 3.26Å; N1208-C1212 PolarHBondContact O-N 2.66Å; N1208-C1212 PolarHBondContact O-SG 2.99Å; F1210-C1212 PolarHBondContact O-N 2.91Å; C1212-V1215 PolarHBondContact O-N 3Å; C1212-S1216 WeakPolarHBondContact O-CB 3.49Å; C1212-S1216 PolarHBondContact O-N 2.89Å; C1212-P1399 HydrophobicContact CB-CB 4.32Å; C1212-P1399 HydrophobicContact CB-CG 3.6Å; C1212-F1411 HydrophobicContact CB-CD1 4.24Å; C1212-F1411 HydrophobicContact CB-CE1 3.66Å; C1212-F1411 HydrophobicContact CB-CE2 4.38Å; C1212-F1411 HydrophobicContact CB-CZ 3.75Å; C1212-F1411 VanDerWaalsContact O-CZ 3.28Å; C1212-F1411 WeakPolarHBondContact O-CZ 3.4Å |
| 1213 | W | 96.8 | Very high | 94.1 | Very high | 28 Ų | 28 | 23.3 Ų | 23.3 | 11% | 0.106 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.9 | -37.5 | 175.4 | 176.2 | 80 | 0 | 0 | 0 | 112.9 | L1161 F1169 K1209 F1210 K1211 S1216 S1217 F1393 L1397 P1399 | L1161-W1213 HydrophobicContact CD1-CH2 4.43Å; L1161-W1213 HydrophobicContact CD1-CZ3 4.49Å; L1161-W1213 HydrophobicContact CD2-CH2 3.84Å; L1161-W1213 HydrophobicContact CD2-CZ3 3.86Å; L1161-W1213 HydrophobicContact CG-CH2 3.66Å; L1161-W1213 HydrophobicContact CG-CZ2 4.46Å; L1161-W1213 HydrophobicContact CG-CZ3 4.03Å; F1169-W1213 AromaticContact CE1-CH2 3.89Å; F1169-W1213 HydrophobicContact CE1-CH2 3.89Å; F1169-W1213 AromaticContact CE1-CZ3 3.68Å; F1169-W1213 HydrophobicContact CE1-CZ3 3.68Å; F1169-W1213 HydrophobicContact CE2-CH2 4.42Å; F1169-W1213 AromaticContact CZ-CH2 3.51Å; F1169-W1213 HydrophobicContact CZ-CH2 3.51Å; F1169-W1213 AromaticContact CZ-CZ3 3.62Å; F1169-W1213 HydrophobicContact CZ-CZ3 3.62Å; K1209-W1213 WeakPolarHBondContact O-CB 3.47Å; K1209-W1213 PolarHBondContact O-N 3.48Å; F1210-W1213 HydrophobicContact CD2-CE3 4.26Å; F1210-W1213 HydrophobicContact CE2-CE3 4.05Å; F1210-W1213 HydrophobicContact CE2-CZ3 4.02Å; F1210-W1213 HydrophobicContact CZ-CZ3 4.49Å; F1210-W1213 PolarHBondContact O-N 3.49Å; F1210-W1213 VanDerWaalsContact O-N 3.12Å; K1211-W1213 VanDerWaalsContact C-N 3.34Å; K1211-W1213 PolarHBondContact O-N 2.98Å; W1213-S1216 PolarHBondContact O-N 2.82Å; W1213-S1217 WeakPolarHBondContact O-CB 3.28Å; W1213-S1217 PolarHBondContact O-N 2.83Å; W1213-S1217 PolarHBondContact O-OG 2.86Å; W1213-F1393 HydrophobicContact CD2-CZ 4.11Å; W1213-F1393 AromaticContact CE2-CZ 3.53Å; W1213-F1393 HydrophobicContact CH2-CE1 4.47Å; W1213-F1393 HydrophobicContact CH2-CZ 4.25Å; W1213-F1393 HydrophobicContact CZ2-CE1 4.25Å; W1213-F1393 HydrophobicContact CZ2-CE2 4.42Å; W1213-F1393 AromaticContact CZ2-CZ 3.6Å; W1213-F1393 HydrophobicContact CZ2-CZ 3.6Å; W1213-F1393 AromaticContact NE1-CZ 3.66Å; W1213-L1397 HydrophobicContact CB-CD1 3.9Å; W1213-L1397 HydrophobicContact CB-CD2 4.3Å; W1213-L1397 HydrophobicContact CB-CG 4.46Å; W1213-L1397 HydrophobicContact CD2-CD1 4.42Å; W1213-L1397 HydrophobicContact CG-CD1 3.73Å; W1213-P1399 HydrophobicContact CB-CB 4.32Å; W1213-P1399 HydrophobicContact CB-CG 4.27Å |
| 1214 | L | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 173.2 | -65.4 | 176.3 | 0 | 0 | 0 | 111.1 | L1161 F1210 K1211 S1217 I1218 V1234 L1237 A1253 A1256 | L1161-L1214 HydrophobicContact CD1-CD2 4.23Å; L1161-L1214 HydrophobicContact CD2-CD2 4.15Å; F1210-L1214 HydrophobicContact CD1-CD1 3.95Å; F1210-L1214 HydrophobicContact CD1-CG 4.33Å; F1210-L1214 HydrophobicContact CE1-CD1 3.76Å; F1210-L1214 HydrophobicContact CE1-CD2 4.33Å; F1210-L1214 HydrophobicContact CE1-CG 4.19Å; F1210-L1214 HydrophobicContact CZ-CD1 4.5Å; F1210-L1214 HydrophobicContact CZ-CD2 4.28Å; F1210-L1214 WeakPolarHBondContact O-CG 3.18Å; F1210-L1214 PolarHBondContact O-N 3.18Å; K1211-L1214 PolarHBondContact O-N 3.04Å; L1214-S1217 WeakPolarHBondContact O-CB 3.08Å; L1214-S1217 PolarHBondContact O-N 2.77Å; L1214-I1218 WeakPolarHBondContact O-CG1 3.01Å; L1214-I1218 PolarHBondContact O-N 2.7Å; L1214-I1218 VanDerWaalsContact O-N 3.08Å; L1214-V1234 HydrophobicContact CD1-CG1 4.38Å; L1214-V1234 HydrophobicContact CD2-CG2 4.12Å; L1214-L1237 HydrophobicContact CD2-CD1 4.24Å; L1214-A1253 HydrophobicContact CD1-CB 4.45Å; L1214-A1256 HydrophobicContact CB-CB 3.57Å; L1214-A1256 HydrophobicContact CD1-CB 3.96Å; L1214-A1256 HydrophobicContact CG-CB 4.44Å |
| 1215 | V | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.5 | -49.7 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | K1211 C1212 S1217 I1218 M1219 A1256 P1261 V1262 F1411 M1415 | K1211-V1215 WeakPolarHBondContact O-CG2 3.1Å; K1211-V1215 PolarHBondContact O-N 2.84Å; K1211-V1215 VanDerWaalsContact O-N 3.08Å; C1212-V1215 PolarHBondContact O-N 3Å; V1215-S1217 VanDerWaalsContact C-N 3.27Å; V1215-S1217 PolarHBondContact O-N 2.91Å; V1215-I1218 PolarHBondContact O-N 2.97Å; V1215-I1218 VanDerWaalsContact O-N 3.12Å; V1215-M1219 HydrophobicContact CG1-CG 4.26Å; V1215-M1219 WeakPolarHBondContact O-CG 3.42Å; V1215-M1219 PolarHBondContact O-N 3.47Å; V1215-A1256 HydrophobicContact CG2-CB 3.98Å; V1215-P1261 HydrophobicContact CG1-CG 3.9Å; V1215-V1262 HydrophobicContact CG1-CG2 4.28Å; V1215-F1411 HydrophobicContact CG1-CE1 4.44Å; V1215-M1415 HydrophobicContact CG1-CB 4.13Å; V1215-M1415 HydrophobicContact CG1-CG 3.85Å; V1215-M1415 HydrophobicContact CG1-SD 4.28Å |
| 1216 | S | 95.7 | Very high | 94.6 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 8% | 0.077 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.3 | -41.8 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 112.2 | C1212 W1213 M1219 S1220 W1403 | C1212-S1216 WeakPolarHBondContact O-CB 3.49Å; C1212-S1216 PolarHBondContact O-N 2.89Å; W1213-S1216 PolarHBondContact O-N 2.82Å; S1216-M1219 PolarHBondContact O-N 3.41Å; S1216-S1220 VanDerWaalsContact O-CB 3.28Å; S1216-S1220 WeakPolarHBondContact O-CB 3.45Å; S1216-S1220 PolarHBondContact O-N 2.81Å; S1216-S1220 PolarHBondContact O-OG 2.96Å; S1216-W1403 PolarHBondContact OG-NE1 3Å |
| 1217 | S | 95.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 23.4 Ų | 23.4 | 16% | 0.161 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | W1213 L1214 V1215 S1220 | W1213-S1217 WeakPolarHBondContact O-CB 3.28Å; W1213-S1217 PolarHBondContact O-N 2.83Å; W1213-S1217 PolarHBondContact O-OG 2.86Å; L1214-S1217 WeakPolarHBondContact O-CB 3.08Å; L1214-S1217 PolarHBondContact O-N 2.77Å; V1215-S1217 VanDerWaalsContact C-N 3.27Å; V1215-S1217 PolarHBondContact O-N 2.91Å; S1217-S1220 PolarHBondContact O-N 2.86Å |
| 1218 | I | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69 | -43.4 | 176.1 | -60 | 162.4 | 0 | 0 | 0 | 110.7 | L1214 V1215 S1220 A1221 R1227 I1230 M1231 V1234 L1257 V1262 | L1214-I1218 WeakPolarHBondContact O-CG1 3.01Å; L1214-I1218 PolarHBondContact O-N 2.7Å; L1214-I1218 VanDerWaalsContact O-N 3.08Å; V1215-I1218 PolarHBondContact O-N 2.97Å; V1215-I1218 VanDerWaalsContact O-N 3.12Å; I1218-S1220 VanDerWaalsContact C-N 3.27Å; I1218-S1220 PolarHBondContact O-N 2.91Å; I1218-A1221 PolarHBondContact O-N 3.17Å; I1218-R1227 HydrophobicContact CG2-CG 3.82Å; I1218-I1230 HydrophobicContact CG1-CG2 3.83Å; I1218-M1231 HydrophobicContact CD1-CG 4.14Å; I1218-M1231 HydrophobicContact CG1-CG 4.05Å; I1218-M1231 HydrophobicContact CG2-CG 3.74Å; I1218-M1231 HydrophobicContact CG2-SD 4.02Å; I1218-V1234 HydrophobicContact CD1-CG2 4.3Å; I1218-V1234 HydrophobicContact CG1-CG2 4.47Å; I1218-L1257 HydrophobicContact CD1-CD2 4.21Å; I1218-V1262 HydrophobicContact CB-CG2 4.34Å; I1218-V1262 HydrophobicContact CD1-CG1 4.17Å; I1218-V1262 HydrophobicContact CD1-CG2 4.01Å; I1218-V1262 HydrophobicContact CG2-CG1 4.33Å; I1218-V1262 HydrophobicContact CG2-CG2 4.22Å |
| 1219 | M | 95.1 | Very high | 95 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.9 | -20.2 | 178 | -65.6 | -53.8 | 92.5 | 0 | 0 | 113.3 | V1215 S1216 P1261 V1262 L1265 M1415 K1418 I1422 | V1215-M1219 HydrophobicContact CG1-CG 4.26Å; V1215-M1219 WeakPolarHBondContact O-CG 3.42Å; V1215-M1219 PolarHBondContact O-N 3.47Å; S1216-M1219 PolarHBondContact O-N 3.41Å; M1219-P1261 HydrophobicContact SD-CB 4.15Å; M1219-V1262 HydrophobicContact CE-CG2 3.73Å; M1219-L1265 HydrophobicContact CE-CD1 3.53Å; M1219-M1415 HydrophobicContact CB-SD 3.73Å; M1219-M1415 HydrophobicContact CG-CB 4.18Å; M1219-M1415 HydrophobicContact CG-CG 4.39Å; M1219-M1415 HydrophobicContact CG-SD 3.61Å; M1219-K1418 HydrophobicContact CB-CD 4.31Å; M1219-K1418 HydrophobicContact CB-CG 4.47Å; M1219-K1418 WeakPolarHBondContact O-CD 3.36Å; M1219-K1418 WeakPolarHBondContact O-CE 3.38Å; M1219-K1418 PolarHBondContact O-NZ 3.4Å; M1219-I1422 VanDerWaalsContact O-CD1 3.29Å; M1219-I1422 WeakPolarHBondContact O-CD1 3.46Å |
| 1220 | S | 92.8 | Very high | 95.1 | Very high | 47 Ų | 47 | 21.5 Ų | 21.5 | 33% | 0.329 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -80.8 | -16.3 | 176.1 | -62.7 | 0 | 0 | 0 | 0 | 113.5 | S1216 S1217 I1218 E1222 | S1216-S1220 VanDerWaalsContact O-CB 3.28Å; S1216-S1220 WeakPolarHBondContact O-CB 3.45Å; S1216-S1220 PolarHBondContact O-N 2.81Å; S1216-S1220 PolarHBondContact O-OG 2.96Å; S1217-S1220 PolarHBondContact O-N 2.86Å; I1218-S1220 VanDerWaalsContact C-N 3.27Å; I1218-S1220 PolarHBondContact O-N 2.91Å; S1220-E1222 PolarHBondContact O-N 3.31Å |
| 1221 | A | 93.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 7% | 0.066 | 11% | 0.112 | C | C | . | . | trans | -89.2 | 86.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1218 D1226 R1227 I1230 | I1218-A1221 PolarHBondContact O-N 3.17Å; A1221-D1226 HydrophobicContact CB-CB 4.27Å; A1221-R1227 HydrophobicContact CB-CB 3.91Å; A1221-R1227 HydrophobicContact CB-CG 4.33Å; A1221-R1227 WeakPolarHBondContact O-CB 3.45Å; A1221-R1227 WeakPolarHBondContact O-CD 3.47Å; A1221-R1227 PolarHBondContact O-NH1 2.87Å; A1221-I1230 HydrophobicContact CB-CG1 4.06Å | ||
| 1222 | E | 91.5 | Very high | 95.3 | Very high | 67 Ų | 67 | 20.5 Ų | 20.5 | 31% | 0.313 | 11% | 0.107 | S | C | . | . | trans | -76.5 | -30.7 | -175.8 | -53.6 | -166.5 | -173.1 | 0 | 0 | 113.4 | S1220 R1227 K1418 I1422 R1435 | S1220-E1222 PolarHBondContact O-N 3.31Å; E1222-R1227 VanDerWaalsContact C-NH1 3.3Å; E1222-R1227 PolarHBondContact O-NH1 3.32Å; E1222-K1418 WeakPolarHBondContact OE1-CE 3.12Å; E1222-K1418 IonicContact OE1-NZ 3.15Å; E1222-K1418 PolarHBondContact OE1-NZ 2.89Å; E1222-I1422 HydrophobicContact CB-CG1 4.31Å; E1222-I1422 HydrophobicContact CG-CD1 4.19Å; E1222-I1422 HydrophobicContact CG-CG1 4.16Å; E1222-R1435 VanDerWaalsContact CB-CD 3.49Å; E1222-R1435 IonicContact OE2-NE 3.87Å; E1222-R1435 PolarHBondContact OE2-NE 2.99Å | ||
| 1223 | H | 93.2 | Very high | 95.3 | Very high | 43 Ų | 43 | 20.7 Ų | 20.7 | 20% | 0.199 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -70.9 | 134.4 | 171.5 | -176.4 | -106.7 | 0 | 0 | 0 | 111.2 | E1225 D1226 R1227 R1435 | H1223-E1225 IonicContact CE1-OE2 2.73Å; H1223-E1225 PolarHBondContact ND1-N 3.14Å; H1223-E1225 PolarHBondContact O-N 3.41Å; H1223-D1226 HydrophobicContact CB-CB 4.36Å; H1223-D1226 IonicContact ND1-OD1 2.88Å; H1223-D1226 PolarHBondContact O-N 3.45Å; H1223-R1227 PolarHBondContact O-N 3.17Å; H1223-R1435 PolarHBondContact CD2-O 3.41Å |
| 1224 | L | 93.1 | Very high | 95.4 | Very high | 50 Ų | 50 | 19.3 Ų | 19.3 | 26% | 0.262 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -56.9 | -47.9 | -171.9 | 177.4 | 61.5 | 0 | 0 | 0 | 112.7 | D1226 R1227 M1228 T1268 A1271 | L1224-D1226 VanDerWaalsContact C-N 3.34Å; L1224-D1226 PolarHBondContact O-N 3.48Å; L1224-R1227 PolarHBondContact O-N 3.07Å; L1224-M1228 HydrophobicContact CG-SD 4.31Å; L1224-M1228 VanDerWaalsContact O-CG 3.31Å; L1224-M1228 WeakPolarHBondContact O-CG 3.39Å; L1224-M1228 PolarHBondContact O-N 3.25Å; L1224-T1268 HydrophobicContact CD1-CG2 4.21Å; L1224-T1268 VanDerWaalsContact CD1-OG1 3.24Å; L1224-T1268 WeakPolarHBondContact CD1-OG1 3.39Å; L1224-A1271 HydrophobicContact CD1-CB 4.48Å; L1224-A1271 HydrophobicContact CD2-CB 4.43Å |
| 1225 | E | 93 | Very high | 95.3 | Very high | 94 Ų | 94 | 19.3 Ų | 19.3 | 44% | 0.439 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -70.7 | -30.6 | -176.1 | -57.3 | -174.6 | 158.5 | 0 | 0 | 112.8 | H1223 V1229 R1437 | H1223-E1225 IonicContact CE1-OE2 2.73Å; H1223-E1225 PolarHBondContact ND1-N 3.14Å; H1223-E1225 PolarHBondContact O-N 3.41Å; E1225-V1229 WeakPolarHBondContact O-CG2 3.35Å; E1225-V1229 PolarHBondContact O-N 2.77Å; E1225-V1229 VanDerWaalsContact O-N 3.1Å; E1225-R1437 IonicContact OE2-CZ 3.73Å; E1225-R1437 VanDerWaalsContact OE2-CZ 3.31Å; E1225-R1437 IonicContact OE2-NH1 2.7Å; E1225-R1437 PolarHBondContact OE2-NH1 3.12Å; E1225-R1437 IonicContact OE2-NH2 3.8Å |
| 1226 | D | 95.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -71.8 | -39.3 | 176.3 | -68.1 | 10.3 | 0 | 0 | 0 | 109.3 | A1221 H1223 L1224 V1229 I1230 R1437 N1438 L1439 | A1221-D1226 HydrophobicContact CB-CB 4.27Å; H1223-D1226 HydrophobicContact CB-CB 4.36Å; H1223-D1226 IonicContact ND1-OD1 2.88Å; H1223-D1226 PolarHBondContact O-N 3.45Å; L1224-D1226 VanDerWaalsContact C-N 3.34Å; L1224-D1226 PolarHBondContact O-N 3.48Å; D1226-V1229 WeakPolarHBondContact O-CB 3.29Å; D1226-V1229 PolarHBondContact O-N 3.2Å; D1226-I1230 WeakPolarHBondContact O-CG1 3.35Å; D1226-I1230 PolarHBondContact O-N 2.84Å; D1226-R1437 IonicContact OD1-CZ 3.53Å; D1226-R1437 IonicContact OD1-NE 2.88Å; D1226-R1437 PolarHBondContact OD1-NE 2.83Å; D1226-R1437 IonicContact OD1-NH2 3.15Å; D1226-R1437 PolarHBondContact OD1-NH2 3.04Å; D1226-R1437 WeakPolarHBondContact OD2-CA 3.34Å; D1226-N1438 PolarHBondContact OD2-N 2.91Å; D1226-L1439 HydrophobicContact CB-CD1 3.88Å; D1226-L1439 HydrophobicContact CB-CG 4Å; D1226-L1439 PolarHBondContact OD2-N 3.35Å |
| 1227 | R | 95.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.015 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 174.9 | -163.2 | 165.2 | 52 | -102.7 | 9.1 | 112.8 | I1218 A1221 E1222 H1223 L1224 V1229 I1230 M1231 T1268 I1422 | I1218-R1227 HydrophobicContact CG2-CG 3.82Å; A1221-R1227 HydrophobicContact CB-CB 3.91Å; A1221-R1227 HydrophobicContact CB-CG 4.33Å; A1221-R1227 WeakPolarHBondContact O-CB 3.45Å; A1221-R1227 WeakPolarHBondContact O-CD 3.47Å; A1221-R1227 PolarHBondContact O-NH1 2.87Å; E1222-R1227 VanDerWaalsContact C-NH1 3.3Å; E1222-R1227 PolarHBondContact O-NH1 3.32Å; H1223-R1227 PolarHBondContact O-N 3.17Å; L1224-R1227 PolarHBondContact O-N 3.07Å; R1227-V1229 VanDerWaalsContact C-N 3.32Å; R1227-V1229 PolarHBondContact O-N 3.03Å; R1227-I1230 PolarHBondContact O-N 3.23Å; R1227-M1231 HydrophobicContact CG-SD 4.43Å; R1227-M1231 WeakPolarHBondContact O-CG 3.49Å; R1227-M1231 PolarHBondContact O-N 3Å; R1227-T1268 HydrophobicContact CB-CG2 4.43Å; R1227-T1268 HydrophobicContact CG-CG2 4.15Å; R1227-T1268 PolarHBondContact NE-OG1 3.37Å; R1227-T1268 PolarHBondContact NH2-OG1 3.12Å; R1227-I1422 VanDerWaalsContact CZ-CG2 3.41Å |
| 1228 | M | 95.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 19 Ų | 19 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.2 | -45.3 | 170.7 | -71.2 | 173.9 | 64.6 | 0 | 0 | 111 | L1224 M1231 Q1232 T1268 A1271 L1272 K1275 | L1224-M1228 HydrophobicContact CG-SD 4.31Å; L1224-M1228 VanDerWaalsContact O-CG 3.31Å; L1224-M1228 WeakPolarHBondContact O-CG 3.39Å; L1224-M1228 PolarHBondContact O-N 3.25Å; M1228-M1231 PolarHBondContact O-N 3.34Å; M1228-Q1232 WeakPolarHBondContact O-CB 3.46Å; M1228-Q1232 WeakPolarHBondContact O-CG 3.28Å; M1228-Q1232 PolarHBondContact O-N 3.01Å; M1228-Q1232 PolarHBondContact O-OE1 2.98Å; M1228-T1268 HydrophobicContact CG-CG2 4.25Å; M1228-A1271 HydrophobicContact CE-CB 4.18Å; M1228-A1271 WeakPolarHBondContact CE-O 3.3Å; M1228-A1271 HydrophobicContact SD-CB 3.7Å; M1228-L1272 HydrophobicContact CB-CD2 3.89Å; M1228-L1272 HydrophobicContact CB-CG 4.44Å; M1228-L1272 HydrophobicContact CE-CD2 4.3Å; M1228-L1272 HydrophobicContact CG-CD2 4.07Å; M1228-L1272 HydrophobicContact CG-CG 4.1Å; M1228-K1275 HydrophobicContact CE-CB 4.23Å |
| 1229 | V | 95.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 9% | 0.085 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.6 | -51.6 | 174.8 | 164.7 | 0 | 0 | 0 | 0 | 111 | T1162 E1225 D1226 R1227 M1231 Q1232 R1233 L1439 A1447 | T1162-V1229 HydrophobicContact CG2-CG1 4.12Å; E1225-V1229 WeakPolarHBondContact O-CG2 3.35Å; E1225-V1229 PolarHBondContact O-N 2.77Å; E1225-V1229 VanDerWaalsContact O-N 3.1Å; D1226-V1229 WeakPolarHBondContact O-CB 3.29Å; D1226-V1229 PolarHBondContact O-N 3.2Å; R1227-V1229 VanDerWaalsContact C-N 3.32Å; R1227-V1229 PolarHBondContact O-N 3.03Å; V1229-M1231 PolarHBondContact O-N 3.29Å; V1229-Q1232 WeakPolarHBondContact O-CB 3.34Å; V1229-Q1232 PolarHBondContact O-N 3.08Å; V1229-Q1232 VanDerWaalsContact O-N 3.16Å; V1229-R1233 HydrophobicContact CG1-CG 4.48Å; V1229-R1233 WeakPolarHBondContact O-CG 3.35Å; V1229-R1233 PolarHBondContact O-N 3.16Å; V1229-L1439 HydrophobicContact CB-CD1 4.08Å; V1229-L1439 HydrophobicContact CG1-CD1 3.88Å; V1229-A1447 HydrophobicContact CB-CB 4.28Å; V1229-A1447 HydrophobicContact CG1-CB 3.45Å; V1229-A1447 VanDerWaalsContact CG1-CB 3.45Å; V1229-A1447 HydrophobicContact CG2-CB 3.79Å |
| 1230 | I | 97 | Very high | 95.4 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 7% | 0.067 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | -180 | -61.3 | -55.1 | 0 | 0 | 0 | 111.4 | L1161 T1162 I1218 A1221 D1226 R1227 Q1232 R1233 V1234 | L1161-I1230 HydrophobicContact CD1-CG2 3.79Å; T1162-I1230 HydrophobicContact CG2-CD1 3.81Å; I1218-I1230 HydrophobicContact CG1-CG2 3.83Å; A1221-I1230 HydrophobicContact CB-CG1 4.06Å; D1226-I1230 WeakPolarHBondContact O-CG1 3.35Å; D1226-I1230 PolarHBondContact O-N 2.84Å; R1227-I1230 PolarHBondContact O-N 3.23Å; I1230-Q1232 VanDerWaalsContact C-N 3.31Å; I1230-Q1232 PolarHBondContact O-N 3.35Å; I1230-R1233 WeakPolarHBondContact O-CA 3.38Å; I1230-R1233 WeakPolarHBondContact O-CB 3.3Å; I1230-R1233 PolarHBondContact O-N 3.35Å; I1230-V1234 WeakPolarHBondContact O-CG2 3.28Å; I1230-V1234 PolarHBondContact O-N 3.26Å |
| 1231 | M | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.4 | -34.3 | 177.4 | -70.2 | -179.3 | 71.9 | 0 | 0 | 112.8 | I1218 R1227 M1228 V1229 V1234 A1235 L1257 V1262 T1268 Y1269 L1272 F1284 | I1218-M1231 HydrophobicContact CD1-CG 4.14Å; I1218-M1231 HydrophobicContact CG1-CG 4.05Å; I1218-M1231 HydrophobicContact CG2-CG 3.74Å; I1218-M1231 HydrophobicContact CG2-SD 4.02Å; R1227-M1231 HydrophobicContact CG-SD 4.43Å; R1227-M1231 WeakPolarHBondContact O-CG 3.49Å; R1227-M1231 PolarHBondContact O-N 3Å; M1228-M1231 PolarHBondContact O-N 3.34Å; V1229-M1231 PolarHBondContact O-N 3.29Å; M1231-V1234 PolarHBondContact O-N 2.96Å; M1231-A1235 PolarHBondContact O-N 2.84Å; M1231-L1257 HydrophobicContact CB-CD2 4.5Å; M1231-L1257 HydrophobicContact CE-CD2 3.92Å; M1231-L1257 HydrophobicContact CG-CD2 4.42Å; M1231-V1262 HydrophobicContact CE-CG1 3.86Å; M1231-V1262 HydrophobicContact SD-CG1 4.45Å; M1231-T1268 HydrophobicContact SD-CG2 3.59Å; M1231-T1268 VanDerWaalsContact SD-CG2 3.59Å; M1231-Y1269 HydrophobicContact CE-CD2 4.23Å; M1231-Y1269 HydrophobicContact CE-CE1 4.44Å; M1231-Y1269 HydrophobicContact CE-CE2 3.64Å; M1231-L1272 HydrophobicContact CB-CD1 3.92Å; M1231-L1272 HydrophobicContact CE-CD1 3.88Å; M1231-L1272 HydrophobicContact SD-CD1 3.93Å; M1231-F1284 HydrophobicContact CB-CZ 4.24Å; M1231-F1284 HydrophobicContact CE-CE1 4.3Å |
| 1232 | Q | 96.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.037 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.9 | -36.2 | 171.3 | -71.9 | 160.1 | -16.2 | 0 | 0 | 112 | M1228 V1229 I1230 A1235 D1236 L1272 S1276 Y1280 N1451 | M1228-Q1232 WeakPolarHBondContact O-CB 3.46Å; M1228-Q1232 WeakPolarHBondContact O-CG 3.28Å; M1228-Q1232 PolarHBondContact O-N 3.01Å; M1228-Q1232 PolarHBondContact O-OE1 2.98Å; V1229-Q1232 WeakPolarHBondContact O-CB 3.34Å; V1229-Q1232 PolarHBondContact O-N 3.08Å; V1229-Q1232 VanDerWaalsContact O-N 3.16Å; I1230-Q1232 VanDerWaalsContact C-N 3.31Å; I1230-Q1232 PolarHBondContact O-N 3.35Å; Q1232-A1235 PolarHBondContact O-N 3.1Å; Q1232-D1236 PolarHBondContact O-N 3.02Å; Q1232-L1272 HydrophobicContact CG-CD2 3.73Å; Q1232-S1276 PolarHBondContact NE2-OG 3.25Å; Q1232-Y1280 HydrophobicContact CB-CD1 4.38Å; Q1232-Y1280 HydrophobicContact CB-CD2 4.45Å; Q1232-Y1280 HydrophobicContact CB-CE1 4.06Å; Q1232-Y1280 HydrophobicContact CB-CE2 4.1Å; Q1232-Y1280 HydrophobicContact CG-CD1 4.14Å; Q1232-Y1280 HydrophobicContact CG-CD2 3.85Å; Q1232-Y1280 HydrophobicContact CG-CE1 4.29Å; Q1232-Y1280 HydrophobicContact CG-CE2 3.98Å; Q1232-Y1280 HydrophobicContact CG-CG 3.96Å; Q1232-N1451 PolarHBondContact OE1-ND2 3.26Å; Q1232-N1451 PolarHBondContact OE1-OD1 3.32Å |
| 1233 | R | 96.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.015 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 172.4 | -54.2 | -57.5 | 85.5 | -133.9 | -2.2 | 111.6 | L1161 P1166 V1229 I1230 D1236 L1237 Y1280 N1451 | L1161-R1233 HydrophobicContact CB-CB 3.99Å; L1161-R1233 HydrophobicContact CB-CG 4.26Å; L1161-R1233 WeakPolarHBondContact O-CD 3.34Å; L1161-R1233 VanDerWaalsContact O-CG 3.29Å; L1161-R1233 WeakPolarHBondContact O-CG 3.22Å; P1166-R1233 VanDerWaalsContact CG-NH1 3.29Å; V1229-R1233 HydrophobicContact CG1-CG 4.48Å; V1229-R1233 WeakPolarHBondContact O-CG 3.35Å; V1229-R1233 PolarHBondContact O-N 3.16Å; I1230-R1233 WeakPolarHBondContact O-CA 3.38Å; I1230-R1233 WeakPolarHBondContact O-CB 3.3Å; I1230-R1233 PolarHBondContact O-N 3.35Å; R1233-D1236 IonicContact CZ-OD2 3.8Å; R1233-D1236 IonicContact NH1-OD2 3.92Å; R1233-D1236 PolarHBondContact NH1-OD2 2.8Å; R1233-D1236 IonicContact NH2-OD2 2.65Å; R1233-D1236 PolarHBondContact NH2-OD2 2.93Å; R1233-D1236 WeakPolarHBondContact O-CB 3.49Å; R1233-D1236 PolarHBondContact O-N 3.44Å; R1233-L1237 WeakPolarHBondContact O-CG 3.49Å; R1233-L1237 PolarHBondContact O-N 2.92Å; R1233-Y1280 PolarHBondContact NH2-OH 3.12Å; R1233-N1451 PolarHBondContact NH2-OD1 3.28Å |
| 1234 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.8 | -36.7 | 175.6 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | L1161 L1214 I1218 I1230 M1231 L1237 L1238 A1253 L1257 | L1161-V1234 HydrophobicContact CD1-CG2 3.97Å; L1214-V1234 HydrophobicContact CD1-CG1 4.38Å; L1214-V1234 HydrophobicContact CD2-CG2 4.12Å; I1218-V1234 HydrophobicContact CD1-CG2 4.3Å; I1218-V1234 HydrophobicContact CG1-CG2 4.47Å; I1230-V1234 WeakPolarHBondContact O-CG2 3.28Å; I1230-V1234 PolarHBondContact O-N 3.26Å; M1231-V1234 PolarHBondContact O-N 2.96Å; V1234-L1237 PolarHBondContact O-N 3.4Å; V1234-L1238 PolarHBondContact O-N 2.97Å; V1234-A1253 HydrophobicContact CG1-CB 4.16Å; V1234-L1257 HydrophobicContact CB-CD2 4.32Å; V1234-L1257 HydrophobicContact CG1-CD1 4.15Å; V1234-L1257 HydrophobicContact CG1-CD2 4.13Å; V1234-L1257 HydrophobicContact CG1-CG 3.88Å |
| 1235 | A | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1231 Q1232 L1238 I1239 Y1280 F1283 F1284 | M1231-A1235 PolarHBondContact O-N 2.84Å; Q1232-A1235 PolarHBondContact O-N 3.1Å; A1235-L1238 PolarHBondContact O-N 2.87Å; A1235-I1239 WeakPolarHBondContact O-CG1 3.33Å; A1235-I1239 PolarHBondContact O-N 3.28Å; A1235-I1239 VanDerWaalsContact O-N 3.09Å; A1235-Y1280 HydrophobicContact CB-CD1 4.2Å; A1235-Y1280 HydrophobicContact CB-CE1 4.22Å; A1235-F1283 HydrophobicContact CB-CD1 3.78Å; A1235-F1283 HydrophobicContact CB-CE1 3.41Å; A1235-F1283 VanDerWaalsContact CB-CE1 3.41Å; A1235-F1283 HydrophobicContact CB-CZ 3.87Å; A1235-F1284 HydrophobicContact CB-CE2 4.29Å; A1235-F1284 HydrophobicContact CB-CZ 3.94Å |
| 1236 | D | 96.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.027 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 172.9 | -80.8 | 13.9 | 0 | 0 | 0 | 111.5 | P1166 Q1232 R1233 L1238 I1239 Y1240 Y1280 P1455 | P1166-D1236 HydrophobicContact CB-CB 3.95Å; P1166-D1236 HydrophobicContact CG-CB 4.38Å; Q1232-D1236 PolarHBondContact O-N 3.02Å; R1233-D1236 IonicContact CZ-OD2 3.8Å; R1233-D1236 IonicContact NH1-OD2 3.92Å; R1233-D1236 PolarHBondContact NH1-OD2 2.8Å; R1233-D1236 IonicContact NH2-OD2 2.65Å; R1233-D1236 PolarHBondContact NH2-OD2 2.93Å; R1233-D1236 WeakPolarHBondContact O-CB 3.49Å; R1233-D1236 PolarHBondContact O-N 3.44Å; D1236-L1238 PolarHBondContact O-N 3.09Å; D1236-I1239 PolarHBondContact O-N 2.84Å; D1236-Y1240 HydrophobicContact CB-CD2 4.22Å; D1236-Y1240 HydrophobicContact CB-CE2 4.08Å; D1236-Y1240 WeakPolarHBondContact O-CD2 3.38Å; D1236-Y1240 PolarHBondContact O-N 3.45Å; D1236-Y1280 VanDerWaalsContact CG-OH 3.25Å; D1236-Y1280 WeakPolarHBondContact OD1-CE1 3.43Å; D1236-Y1280 VanDerWaalsContact OD1-CZ 3.27Å; D1236-Y1280 PolarHBondContact OD1-OH 3.28Å; D1236-Y1280 PolarHBondContact OD2-OH 3.29Å; D1236-P1455 VanDerWaalsContact OD1-CG 3.29Å; D1236-P1455 WeakPolarHBondContact OD1-CG 3.49Å |
| 1237 | L | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 177.3 | -69.1 | -175.6 | 0 | 0 | 0 | 111.8 | L1161 P1166 F1169 A1170 F1210 L1214 R1233 V1234 I1239 Y1240 F1241 | L1161-L1237 HydrophobicContact CD2-CD1 3.55Å; L1161-L1237 HydrophobicContact CD2-CG 4.48Å; P1166-L1237 HydrophobicContact CB-CD2 4.28Å; P1166-L1237 VanDerWaalsContact O-CD2 3.31Å; P1166-L1237 WeakPolarHBondContact O-CD2 3.31Å; F1169-L1237 HydrophobicContact CB-CD2 4.23Å; F1169-L1237 HydrophobicContact CD1-CD1 3.83Å; F1169-L1237 HydrophobicContact CD1-CD2 3.85Å; F1169-L1237 HydrophobicContact CE1-CD1 4.1Å; A1170-L1237 HydrophobicContact CB-CD2 4.07Å; F1210-L1237 HydrophobicContact CZ-CD1 4.39Å; L1214-L1237 HydrophobicContact CD2-CD1 4.24Å; R1233-L1237 WeakPolarHBondContact O-CG 3.49Å; R1233-L1237 PolarHBondContact O-N 2.92Å; V1234-L1237 PolarHBondContact O-N 3.4Å; L1237-I1239 PolarHBondContact O-N 3.5Å; L1237-Y1240 PolarHBondContact O-N 3.08Å; L1237-F1241 HydrophobicContact CB-CD2 4.22Å; L1237-F1241 HydrophobicContact CB-CE2 3.86Å; L1237-F1241 WeakPolarHBondContact O-CB 3.47Å; L1237-F1241 WeakPolarHBondContact O-CD2 3.42Å; L1237-F1241 VanDerWaalsContact O-CG 3.24Å; L1237-F1241 WeakPolarHBondContact O-CG 3.28Å; L1237-F1241 PolarHBondContact O-N 3.44Å |
| 1238 | L | 95.8 | Very high | 95.8 | Very high | 22 Ų | 22 | 16.7 Ų | 16.7 | 12% | 0.115 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 176.9 | -166.1 | 161.6 | 0 | 0 | 0 | 111.2 | V1234 A1235 D1236 Y1240 F1241 D1242 V1250 A1253 K1254 F1283 | V1234-L1238 PolarHBondContact O-N 2.97Å; A1235-L1238 PolarHBondContact O-N 2.87Å; D1236-L1238 PolarHBondContact O-N 3.09Å; L1238-Y1240 VanDerWaalsContact C-N 3.34Å; L1238-Y1240 PolarHBondContact O-N 2.85Å; L1238-F1241 PolarHBondContact O-N 2.89Å; L1238-D1242 WeakPolarHBondContact O-CB 3.24Å; L1238-D1242 PolarHBondContact O-N 3.07Å; L1238-V1250 HydrophobicContact CD2-CG1 4.05Å; L1238-V1250 HydrophobicContact CG-CG1 4.18Å; L1238-A1253 HydrophobicContact CB-CB 3.84Å; L1238-A1253 HydrophobicContact CD1-CB 4.28Å; L1238-A1253 HydrophobicContact CG-CB 4.23Å; L1238-K1254 HydrophobicContact CD1-CB 3.92Å; L1238-F1283 HydrophobicContact CD1-CE2 4.32Å; L1238-F1283 HydrophobicContact CD1-CZ 4.11Å; L1238-F1283 HydrophobicContact CD2-CE2 4.27Å |
| 1239 | I | 94.9 | Very high | 95.8 | Very high | 58 Ų | 58 | 15.9 Ų | 15.9 | 30% | 0.297 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 178.3 | -65.7 | 163.2 | 0 | 0 | 0 | 111.1 | A1235 D1236 L1237 S1243 P1455 | A1235-I1239 WeakPolarHBondContact O-CG1 3.33Å; A1235-I1239 PolarHBondContact O-N 3.28Å; A1235-I1239 VanDerWaalsContact O-N 3.09Å; D1236-I1239 PolarHBondContact O-N 2.84Å; L1237-I1239 PolarHBondContact O-N 3.5Å; I1239-S1243 PolarHBondContact O-N 3.29Å; I1239-S1243 VanDerWaalsContact O-N 3.11Å; I1239-P1455 HydrophobicContact CB-CB 4.5Å; I1239-P1455 HydrophobicContact CD1-CG 4.11Å; I1239-P1455 HydrophobicContact CG2-CB 3.92Å; I1239-P1455 HydrophobicContact CG2-CG 4.43Å |
| 1240 | Y | 97.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 15.7 Ų | 15.7 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69.5 | -44.9 | 177.6 | -71.8 | -54 | 0 | 0 | 0 | 112.3 | P1166 L1167 D1236 L1237 L1238 D1242 S1243 L1244 P1455 D1456 P1457 | P1166-Y1240 HydrophobicContact CB-CD2 4.11Å; P1166-Y1240 HydrophobicContact CB-CE2 3.92Å; L1167-Y1240 HydrophobicContact CB-CD1 3.99Å; L1167-Y1240 HydrophobicContact CB-CD2 4.14Å; L1167-Y1240 HydrophobicContact CB-CE1 3.8Å; L1167-Y1240 HydrophobicContact CB-CE2 3.99Å; L1167-Y1240 HydrophobicContact CB-CG 4.15Å; L1167-Y1240 HydrophobicContact CD1-CD1 3.57Å; L1167-Y1240 HydrophobicContact CD1-CE1 4.02Å; L1167-Y1240 HydrophobicContact CD1-CG 4.02Å; L1167-Y1240 HydrophobicContact CD2-CE1 4.16Å; L1167-Y1240 HydrophobicContact CG-CD1 4.21Å; L1167-Y1240 HydrophobicContact CG-CE1 4.19Å; D1236-Y1240 HydrophobicContact CB-CD2 4.22Å; D1236-Y1240 HydrophobicContact CB-CE2 4.08Å; D1236-Y1240 WeakPolarHBondContact O-CD2 3.38Å; D1236-Y1240 PolarHBondContact O-N 3.45Å; L1237-Y1240 PolarHBondContact O-N 3.08Å; L1238-Y1240 VanDerWaalsContact C-N 3.34Å; L1238-Y1240 PolarHBondContact O-N 2.85Å; Y1240-D1242 VanDerWaalsContact C-N 3.28Å; Y1240-D1242 PolarHBondContact O-N 3.09Å; Y1240-S1243 WeakPolarHBondContact CA-OG 3.23Å; Y1240-S1243 PolarHBondContact O-N 2.81Å; Y1240-S1243 VanDerWaalsContact O-N 3.17Å; Y1240-S1243 PolarHBondContact O-OG 3.29Å; Y1240-L1244 WeakPolarHBondContact O-CB 3.44Å; Y1240-L1244 WeakPolarHBondContact O-CG 3.45Å; Y1240-L1244 PolarHBondContact O-N 3.04Å; Y1240-P1455 HydrophobicContact CE1-CB 3.9Å; Y1240-P1455 HydrophobicContact CE2-CB 3.97Å; Y1240-P1455 WeakPolarHBondContact OH-CA 2.8Å; Y1240-D1456 PolarHBondContact OH-N 3.06Å; Y1240-P1457 HydrophobicContact CD1-CB 4.4Å |
| 1241 | F | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -55.9 | -43.7 | 173.9 | -68.4 | -46.8 | 0 | 0 | 0 | 111.6 | A1170 V1173 F1210 L1237 L1238 S1243 L1244 N1245 N1246 G1249 V1250 | A1170-F1241 HydrophobicContact CB-CD1 4.09Å; A1170-F1241 HydrophobicContact CB-CE1 3.99Å; V1173-F1241 HydrophobicContact CB-CE1 3.96Å; V1173-F1241 HydrophobicContact CB-CZ 4.07Å; V1173-F1241 HydrophobicContact CG1-CE1 3.74Å; V1173-F1241 HydrophobicContact CG1-CZ 3.64Å; F1210-F1241 HydrophobicContact CE1-CE2 4.13Å; F1210-F1241 HydrophobicContact CE1-CZ 4.02Å; F1210-F1241 HydrophobicContact CZ-CZ 4.2Å; L1237-F1241 HydrophobicContact CB-CD2 4.22Å; L1237-F1241 HydrophobicContact CB-CE2 3.86Å; L1237-F1241 WeakPolarHBondContact O-CB 3.47Å; L1237-F1241 WeakPolarHBondContact O-CD2 3.42Å; L1237-F1241 VanDerWaalsContact O-CG 3.24Å; L1237-F1241 WeakPolarHBondContact O-CG 3.28Å; L1237-F1241 PolarHBondContact O-N 3.44Å; L1238-F1241 PolarHBondContact O-N 2.89Å; F1241-S1243 VanDerWaalsContact C-N 3.35Å; F1241-S1243 PolarHBondContact O-N 3.08Å; F1241-L1244 CarbonylContact O-C 3.57Å; F1241-L1244 PolarHBondContact O-N 3.45Å; F1241-L1244 VanDerWaalsContact O-N 3.09Å; F1241-N1245 PolarHBondContact O-N 3.27Å; F1241-N1246 HydrophobicContact CB-CB 4.12Å; F1241-N1246 HydrophobicContact CD1-CB 4.21Å; F1241-N1246 WeakPolarHBondContact CD1-ND2 3.32Å; F1241-N1246 PolarHBondContact O-N 3.41Å; F1241-G1249 VanDerWaalsContact CD2-O 3.28Å; F1241-G1249 WeakPolarHBondContact CD2-O 3.41Å; F1241-V1250 HydrophobicContact CB-CG2 3.71Å |
| 1242 | D | 94.1 | Very high | 95.3 | Very high | 54 Ų | 54 | 16.6 Ų | 16.6 | 29% | 0.289 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 178.1 | -157.1 | 71.3 | 0 | 0 | 0 | 112.1 | L1238 Y1240 L1244 N1245 V1250 K1306 | L1238-D1242 WeakPolarHBondContact O-CB 3.24Å; L1238-D1242 PolarHBondContact O-N 3.07Å; Y1240-D1242 VanDerWaalsContact C-N 3.28Å; Y1240-D1242 PolarHBondContact O-N 3.09Å; D1242-L1244 VanDerWaalsContact C-N 3.27Å; D1242-L1244 PolarHBondContact O-N 3.38Å; D1242-N1245 PolarHBondContact O-N 3.46Å; D1242-V1250 HydrophobicContact CB-CG2 3.71Å; D1242-V1250 VanDerWaalsContact N-CG2 3.3Å; D1242-K1306 IonicContact OD1-NZ 3.86Å; D1242-K1306 PolarHBondContact OD1-NZ 3.35Å; D1242-K1306 IonicContact OD2-NZ 3.55Å; D1242-K1306 PolarHBondContact OD2-NZ 3.34Å |
| 1243 | S | 94.2 | Very high | 95.3 | Very high | 52 Ų | 52 | 16.2 Ų | 16.2 | 36% | 0.364 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -69.4 | -21.2 | 175.6 | 75.7 | 0 | 0 | 0 | 0 | 114.6 | I1239 Y1240 F1241 N1245 P1457 | I1239-S1243 PolarHBondContact O-N 3.29Å; I1239-S1243 VanDerWaalsContact O-N 3.11Å; Y1240-S1243 WeakPolarHBondContact CA-OG 3.23Å; Y1240-S1243 PolarHBondContact O-N 2.81Å; Y1240-S1243 VanDerWaalsContact O-N 3.17Å; Y1240-S1243 PolarHBondContact O-OG 3.29Å; F1241-S1243 VanDerWaalsContact C-N 3.35Å; F1241-S1243 PolarHBondContact O-N 3.08Å; S1243-N1245 VanDerWaalsContact C-N 3.32Å; S1243-P1457 VanDerWaalsContact OG-CB 3.26Å; S1243-P1457 WeakPolarHBondContact OG-CB 3.47Å |
| 1244 | L | 94.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 17.6 Ų | 17.6 | 12% | 0.12 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 8.1 | 176.7 | -68.3 | 172.5 | 0 | 0 | 0 | 112 | A1170 Y1240 F1241 D1242 N1246 Y1382 F1384 | A1170-L1244 HydrophobicContact CB-CD1 4.04Å; Y1240-L1244 WeakPolarHBondContact O-CB 3.44Å; Y1240-L1244 WeakPolarHBondContact O-CG 3.45Å; Y1240-L1244 PolarHBondContact O-N 3.04Å; F1241-L1244 CarbonylContact O-C 3.57Å; F1241-L1244 PolarHBondContact O-N 3.45Å; F1241-L1244 VanDerWaalsContact O-N 3.09Å; D1242-L1244 VanDerWaalsContact C-N 3.27Å; D1242-L1244 PolarHBondContact O-N 3.38Å; L1244-N1246 HydrophobicContact CB-CB 4.5Å; L1244-N1246 PolarHBondContact O-N 3.11Å; L1244-N1246 VanDerWaalsContact O-N 3.15Å; L1244-Y1382 VanDerWaalsContact O-CE1 3.23Å; L1244-Y1382 WeakPolarHBondContact O-CE1 3.49Å; L1244-Y1382 PolarHBondContact O-OH 2.94Å; L1244-F1384 HydrophobicContact CD2-CE2 4.2Å; L1244-F1384 HydrophobicContact CD2-CZ 3.67Å |
| 1245 | N | 95.3 | Very high | 94.8 | Very high | 52 Ų | 52 | 19.3 Ų | 19.3 | 28% | 0.278 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 20.5 | -170.5 | -60.5 | -32 | 0 | 0 | 0 | 113.8 | F1241 D1242 S1243 L1247 I1310 H1311 P1313 G1314 L1315 | F1241-N1245 PolarHBondContact O-N 3.27Å; D1242-N1245 PolarHBondContact O-N 3.46Å; S1243-N1245 VanDerWaalsContact C-N 3.32Å; N1245-L1247 PolarHBondContact O-N 2.99Å; N1245-I1310 HydrophobicContact CB-CD1 4.22Å; N1245-I1310 HydrophobicContact CB-CG1 4.38Å; N1245-I1310 HydrophobicContact CB-CG2 3.84Å; N1245-H1311 PolarHBondContact ND2-O 3.44Å; N1245-P1313 PolarHBondContact ND2-O 3.12Å; N1245-G1314 WeakPolarHBondContact O-CA 3.44Å; N1245-L1315 PolarHBondContact O-N 3.03Å |
| 1246 | N | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -87.7 | 88 | 178 | -177.5 | -5.1 | 0 | 0 | 0 | 110 | T1174 E1177 F1241 L1244 Q1248 G1249 V1250 L1315 | T1174-N1246 HydrophobicContact CG2-CB 3.89Å; T1174-N1246 PolarHBondContact OG1-ND2 3.12Å; E1177-N1246 PolarHBondContact OE2-ND2 2.98Å; E1177-N1246 PolarHBondContact OE2-OD1 3.36Å; F1241-N1246 HydrophobicContact CB-CB 4.12Å; F1241-N1246 HydrophobicContact CD1-CB 4.21Å; F1241-N1246 WeakPolarHBondContact CD1-ND2 3.32Å; F1241-N1246 PolarHBondContact O-N 3.41Å; L1244-N1246 HydrophobicContact CB-CB 4.5Å; L1244-N1246 PolarHBondContact O-N 3.11Å; L1244-N1246 VanDerWaalsContact O-N 3.15Å; N1246-Q1248 VanDerWaalsContact C-N 3.29Å; N1246-Q1248 PolarHBondContact O-N 2.81Å; N1246-Q1248 WeakPolarHBondContact OD1-CB 3.24Å; N1246-Q1248 PolarHBondContact OD1-N 3.46Å; N1246-G1249 PolarHBondContact OD1-N 3.28Å; N1246-V1250 VanDerWaalsContact O-CG2 3.26Å; N1246-V1250 WeakPolarHBondContact O-CG2 3.28Å; N1246-V1250 PolarHBondContact O-N 3.34Å; N1246-L1315 HydrophobicContact CB-CB 4.43Å |
| 1247 | L | 93 | Very high | 94.8 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -74.8 | -21.4 | -179.6 | -57.3 | -174.4 | 0 | 0 | 0 | 113.1 | N1245 Q1251 Y1303 K1306 L1307 I1310 L1315 | N1245-L1247 PolarHBondContact O-N 2.99Å; L1247-Q1251 WeakPolarHBondContact O-CG 3.16Å; L1247-Q1251 PolarHBondContact O-N 3.1Å; L1247-Q1251 PolarHBondContact O-NE2 2.97Å; L1247-Y1303 HydrophobicContact CB-CE2 3.98Å; L1247-Y1303 HydrophobicContact CD1-CD2 4.14Å; L1247-Y1303 HydrophobicContact CD1-CE2 3.52Å; L1247-Y1303 HydrophobicContact CG-CE2 4.38Å; L1247-K1306 HydrophobicContact CD2-CD 4.09Å; L1247-K1306 HydrophobicContact CD2-CG 4.43Å; L1247-L1307 HydrophobicContact CD1-CB 4.4Å; L1247-L1307 HydrophobicContact CD1-CD1 4.2Å; L1247-I1310 HydrophobicContact CD1-CD1 3.66Å; L1247-I1310 HydrophobicContact CD2-CD1 4Å; L1247-I1310 HydrophobicContact CG-CD1 3.81Å; L1247-L1315 WeakPolarHBondContact CB-O 3.22Å; L1247-L1315 PolarHBondContact N-O 3.43Å |
| 1248 | Q | 93.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 20.5 Ų | 20.5 | 7% | 0.07 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.7 | -62.5 | 174.4 | 179.9 | 65.4 | 52.6 | 0 | 0 | 110.1 | S1207 N1246 V1250 Q1251 E1252 L1315 | S1207-Q1248 PolarHBondContact OG-NE2 2.91Å; N1246-Q1248 VanDerWaalsContact C-N 3.29Å; N1246-Q1248 PolarHBondContact O-N 2.81Å; N1246-Q1248 WeakPolarHBondContact OD1-CB 3.24Å; N1246-Q1248 PolarHBondContact OD1-N 3.46Å; Q1248-V1250 VanDerWaalsContact C-N 3.27Å; Q1248-V1250 PolarHBondContact O-N 3.19Å; Q1248-Q1251 PolarHBondContact O-N 3.14Å; Q1248-E1252 WeakPolarHBondContact CG-OE1 3.46Å; Q1248-E1252 PolarHBondContact NE2-OE1 2.83Å; Q1248-E1252 PolarHBondContact O-N 3.21Å; Q1248-L1315 HydrophobicContact CB-CD2 3.96Å; Q1248-L1315 HydrophobicContact CB-CG 4.19Å; Q1248-L1315 HydrophobicContact CG-CD2 4.36Å; Q1248-L1315 PolarHBondContact N-O 2.81Å |
| 1249 | G | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.4 | -31 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1241 N1246 E1252 A1253 | F1241-G1249 VanDerWaalsContact CD2-O 3.28Å; F1241-G1249 WeakPolarHBondContact CD2-O 3.41Å; N1246-G1249 PolarHBondContact OD1-N 3.28Å; G1249-E1252 PolarHBondContact O-N 3.15Å; G1249-A1253 WeakPolarHBondContact O-CB 3.46Å; G1249-A1253 PolarHBondContact O-N 3.37Å |
| 1250 | V | 94.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 19.4 Ų | 19.4 | 7% | 0.067 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 170.2 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | L1238 F1241 D1242 N1246 Q1248 K1254 | L1238-V1250 HydrophobicContact CD2-CG1 4.05Å; L1238-V1250 HydrophobicContact CG-CG1 4.18Å; F1241-V1250 HydrophobicContact CB-CG2 3.71Å; D1242-V1250 HydrophobicContact CB-CG2 3.71Å; D1242-V1250 VanDerWaalsContact N-CG2 3.3Å; N1246-V1250 VanDerWaalsContact O-CG2 3.26Å; N1246-V1250 WeakPolarHBondContact O-CG2 3.28Å; N1246-V1250 PolarHBondContact O-N 3.34Å; Q1248-V1250 VanDerWaalsContact C-N 3.27Å; Q1248-V1250 PolarHBondContact O-N 3.19Å; V1250-K1254 WeakPolarHBondContact O-CB 3.42Å; V1250-K1254 PolarHBondContact O-N 3.3Å |
| 1251 | Q | 90.7 | Very high | 94.3 | Very high | 25 Ų | 25 | 19.2 Ų | 19.2 | 12% | 0.117 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71 | -37.3 | 178.7 | -68.4 | -15.2 | -76.9 | 0 | 0 | 112 | L1247 Q1248 K1254 A1255 Y1299 F1317 | L1247-Q1251 WeakPolarHBondContact O-CG 3.16Å; L1247-Q1251 PolarHBondContact O-N 3.1Å; L1247-Q1251 PolarHBondContact O-NE2 2.97Å; Q1248-Q1251 PolarHBondContact O-N 3.14Å; Q1251-K1254 PolarHBondContact O-N 2.99Å; Q1251-A1255 WeakPolarHBondContact O-CB 3.41Å; Q1251-A1255 PolarHBondContact O-N 2.92Å; Q1251-Y1299 PolarHBondContact OE1-OH 2.94Å; Q1251-F1317 HydrophobicContact CB-CD1 4.04Å; Q1251-F1317 HydrophobicContact CB-CE1 4.01Å; Q1251-F1317 HydrophobicContact CB-CG 4.5Å; Q1251-F1317 HydrophobicContact CB-CZ 4.43Å; Q1251-F1317 HydrophobicContact CG-CB 4.41Å; Q1251-F1317 HydrophobicContact CG-CD1 3.31Å; Q1251-F1317 HydrophobicContact CG-CE1 3.59Å; Q1251-F1317 HydrophobicContact CG-CG 4Å; Q1251-F1317 HydrophobicContact CG-CZ 4.47Å |
| 1252 | E | 94.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.028 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -45.2 | 178.3 | -67.6 | 171.1 | -151.6 | 0 | 0 | 111.9 | S1207 F1210 Q1248 G1249 A1255 A1256 | S1207-E1252 VanDerWaalsContact CA-CD 3.49Å; S1207-E1252 VanDerWaalsContact CA-OE1 3.28Å; S1207-E1252 WeakPolarHBondContact CA-OE1 3.42Å; S1207-E1252 WeakPolarHBondContact CB-OE1 3.26Å; S1207-E1252 PolarHBondContact OG-OE1 3.09Å; F1210-E1252 WeakPolarHBondContact CB-OE2 3.5Å; F1210-E1252 HydrophobicContact CD1-CB 4.28Å; F1210-E1252 WeakPolarHBondContact CD1-OE2 3.5Å; Q1248-E1252 WeakPolarHBondContact CG-OE1 3.46Å; Q1248-E1252 PolarHBondContact NE2-OE1 2.83Å; Q1248-E1252 PolarHBondContact O-N 3.21Å; G1249-E1252 PolarHBondContact O-N 3.15Å; E1252-A1255 PolarHBondContact O-N 2.93Å; E1252-A1256 WeakPolarHBondContact O-CB 3.28Å; E1252-A1256 PolarHBondContact O-N 2.84Å |
| 1253 | A | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1214 V1234 L1238 G1249 L1257 | L1214-A1253 HydrophobicContact CD1-CB 4.45Å; V1234-A1253 HydrophobicContact CG1-CB 4.16Å; L1238-A1253 HydrophobicContact CB-CB 3.84Å; L1238-A1253 HydrophobicContact CD1-CB 4.28Å; L1238-A1253 HydrophobicContact CG-CB 4.23Å; G1249-A1253 WeakPolarHBondContact O-CB 3.46Å; G1249-A1253 PolarHBondContact O-N 3.37Å; A1253-L1257 WeakPolarHBondContact O-CG 3.37Å; A1253-L1257 PolarHBondContact O-N 3.46Å |
| 1254 | K | 92.7 | Very high | 94.2 | Very high | 34 Ų | 34 | 18.5 Ų | 18.5 | 15% | 0.148 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.1 | -44.6 | 175.5 | -169.5 | 178 | 179 | -176.5 | 0 | 111.6 | L1238 V1250 Q1251 L1257 L1258 L1287 | L1238-K1254 HydrophobicContact CD1-CB 3.92Å; V1250-K1254 WeakPolarHBondContact O-CB 3.42Å; V1250-K1254 PolarHBondContact O-N 3.3Å; Q1251-K1254 PolarHBondContact O-N 2.99Å; K1254-L1257 PolarHBondContact O-N 2.93Å; K1254-L1258 HydrophobicContact CD-CD1 4.47Å; K1254-L1258 HydrophobicContact CG-CD1 3.92Å; K1254-L1258 HydrophobicContact CG-CG 4.41Å; K1254-L1258 WeakPolarHBondContact O-CB 3.46Å; K1254-L1258 WeakPolarHBondContact O-CG 3.46Å; K1254-L1258 PolarHBondContact O-N 3.3Å; K1254-L1287 HydrophobicContact CG-CD1 4.33Å |
| 1255 | A | 91.4 | Very high | 94.1 | Very high | 35 Ų | 35 | 17.4 Ų | 17.4 | 29% | 0.289 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -66.2 | -39.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1211 Q1251 E1252 L1258 S1259 | K1211-A1255 HydrophobicContact CG-CB 4.42Å; Q1251-A1255 WeakPolarHBondContact O-CB 3.41Å; Q1251-A1255 PolarHBondContact O-N 2.92Å; E1252-A1255 PolarHBondContact O-N 2.93Å; A1255-L1258 PolarHBondContact O-N 3.35Å; A1255-S1259 WeakPolarHBondContact O-CB 3.4Å; A1255-S1259 PolarHBondContact O-N 3.33Å |
| 1256 | A | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1214 V1215 E1252 S1259 V1262 | L1214-A1256 HydrophobicContact CB-CB 3.57Å; L1214-A1256 HydrophobicContact CD1-CB 3.96Å; L1214-A1256 HydrophobicContact CG-CB 4.44Å; V1215-A1256 HydrophobicContact CG2-CB 3.98Å; E1252-A1256 WeakPolarHBondContact O-CB 3.28Å; E1252-A1256 PolarHBondContact O-N 2.84Å; A1256-S1259 WeakPolarHBondContact O-CB 3.5Å; A1256-S1259 PolarHBondContact O-OG 2.94Å; A1256-V1262 WeakPolarHBondContact O-CG2 3.5Å |
| 1257 | L | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.9 | -38.7 | 176.6 | -69.9 | 173.7 | 0 | 0 | 0 | 113 | I1218 M1231 V1234 A1253 K1254 S1259 V1262 Y1269 F1283 F1284 L1287 | I1218-L1257 HydrophobicContact CD1-CD2 4.21Å; M1231-L1257 HydrophobicContact CB-CD2 4.5Å; M1231-L1257 HydrophobicContact CE-CD2 3.92Å; M1231-L1257 HydrophobicContact CG-CD2 4.42Å; V1234-L1257 HydrophobicContact CB-CD2 4.32Å; V1234-L1257 HydrophobicContact CG1-CD1 4.15Å; V1234-L1257 HydrophobicContact CG1-CD2 4.13Å; V1234-L1257 HydrophobicContact CG1-CG 3.88Å; A1253-L1257 WeakPolarHBondContact O-CG 3.37Å; A1253-L1257 PolarHBondContact O-N 3.46Å; K1254-L1257 PolarHBondContact O-N 2.93Å; L1257-S1259 VanDerWaalsContact C-N 3.34Å; L1257-V1262 WeakPolarHBondContact O-CG1 3.36Å; L1257-Y1269 PolarHBondContact O-OH 3.17Å; L1257-F1283 HydrophobicContact CD1-CE1 4.04Å; L1257-F1283 HydrophobicContact CD1-CZ 4.07Å; L1257-F1284 HydrophobicContact CD1-CE1 4.35Å; L1257-F1284 HydrophobicContact CD2-CE1 4.31Å; L1257-L1287 HydrophobicContact CB-CD2 3.92Å; L1257-L1287 HydrophobicContact CD1-CD2 4.13Å |
| 1258 | L | 92.8 | Very high | 93.8 | Very high | 32 Ų | 32 | 22.1 Ų | 22.1 | 17% | 0.168 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -85.4 | -1.7 | -179.8 | -66.1 | -176.1 | 0 | 0 | 0 | 114.3 | K1254 A1255 F1263 L1287 V1291 | K1254-L1258 HydrophobicContact CD-CD1 4.47Å; K1254-L1258 HydrophobicContact CG-CD1 3.92Å; K1254-L1258 HydrophobicContact CG-CG 4.41Å; K1254-L1258 WeakPolarHBondContact O-CB 3.46Å; K1254-L1258 WeakPolarHBondContact O-CG 3.46Å; K1254-L1258 PolarHBondContact O-N 3.3Å; A1255-L1258 PolarHBondContact O-N 3.35Å; L1258-F1263 HydrophobicContact CD2-CD2 3.79Å; L1258-F1263 HydrophobicContact CD2-CE2 3.96Å; L1258-L1287 HydrophobicContact CD2-CD1 4.39Å; L1258-L1287 HydrophobicContact CD2-CD2 4.08Å; L1258-L1287 HydrophobicContact CD2-CG 3.94Å; L1258-V1291 HydrophobicContact CD1-CG2 4.17Å; L1258-V1291 HydrophobicContact CD2-CG2 3.64Å |
| 1259 | S | 93.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 15% | 0.147 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -58.9 | 141.7 | 177.8 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | A1255 A1256 L1257 P1261 V1262 F1263 | A1255-S1259 WeakPolarHBondContact O-CB 3.4Å; A1255-S1259 PolarHBondContact O-N 3.33Å; A1256-S1259 WeakPolarHBondContact O-CB 3.5Å; A1256-S1259 PolarHBondContact O-OG 2.94Å; L1257-S1259 VanDerWaalsContact C-N 3.34Å; S1259-P1261 VanDerWaalsContact C-CD 3.44Å; S1259-P1261 VanDerWaalsContact C-N 3.32Å; S1259-V1262 PolarHBondContact O-N 3.5Å; S1259-V1262 WeakPolarHBondContact OG-CB 3.28Å; S1259-V1262 VanDerWaalsContact OG-CG2 3.32Å; S1259-V1262 WeakPolarHBondContact OG-CG2 3.35Å; S1259-F1263 WeakPolarHBondContact O-CB 3.36Å; S1259-F1263 PolarHBondContact O-N 2.95Å |
| 1260 | S | 93.8 | Very high | 93.9 | Very high | 37 Ų | 37 | 24.8 Ų | 24.8 | 26% | 0.259 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -48 | -39.6 | 179 | -57.4 | 0 | 0 | 0 | 0 | 115.2 | R1264 N1650 | S1260-R1264 VanDerWaalsContact O-CG 3.31Å; S1260-R1264 WeakPolarHBondContact O-CG 3.29Å; S1260-N1650 PolarHBondContact OG-OD1 3.15Å |
| 1261 | P | 94.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.019 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.1 | -30.6 | 172.3 | 26.3 | -36.4 | 0 | 0 | 0 | 115 | V1215 M1219 S1259 M1415 S1419 | V1215-P1261 HydrophobicContact CG1-CG 3.9Å; M1219-P1261 HydrophobicContact SD-CB 4.15Å; S1259-P1261 VanDerWaalsContact C-CD 3.44Å; S1259-P1261 VanDerWaalsContact C-N 3.32Å; P1261-M1415 HydrophobicContact CB-CB 3.83Å; P1261-M1415 WeakPolarHBondContact CB-O 3.44Å; P1261-M1415 HydrophobicContact CG-CB 3.82Å; P1261-S1419 WeakPolarHBondContact O-CB 3.44Å; P1261-S1419 PolarHBondContact O-OG 3.31Å |
| 1262 | V | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -87.1 | -49.8 | -179.2 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | V1215 I1218 M1219 M1231 A1256 L1257 S1259 R1264 L1265 Y1269 | V1215-V1262 HydrophobicContact CG1-CG2 4.28Å; I1218-V1262 HydrophobicContact CB-CG2 4.34Å; I1218-V1262 HydrophobicContact CD1-CG1 4.17Å; I1218-V1262 HydrophobicContact CD1-CG2 4.01Å; I1218-V1262 HydrophobicContact CG2-CG1 4.33Å; I1218-V1262 HydrophobicContact CG2-CG2 4.22Å; M1219-V1262 HydrophobicContact CE-CG2 3.73Å; M1231-V1262 HydrophobicContact CE-CG1 3.86Å; M1231-V1262 HydrophobicContact SD-CG1 4.45Å; A1256-V1262 WeakPolarHBondContact O-CG2 3.5Å; L1257-V1262 WeakPolarHBondContact O-CG1 3.36Å; S1259-V1262 PolarHBondContact O-N 3.5Å; S1259-V1262 WeakPolarHBondContact OG-CB 3.28Å; S1259-V1262 VanDerWaalsContact OG-CG2 3.32Å; S1259-V1262 WeakPolarHBondContact OG-CG2 3.35Å; V1262-R1264 PolarHBondContact O-N 2.96Å; V1262-R1264 VanDerWaalsContact O-N 3.15Å; V1262-L1265 VanDerWaalsContact O-CB 3.31Å; V1262-L1265 WeakPolarHBondContact O-CB 3.3Å; V1262-L1265 PolarHBondContact O-N 2.99Å; V1262-Y1269 HydrophobicContact CG1-CE2 4.45Å |
| 1263 | F | 93.6 | Very high | 94.1 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 17% | 0.167 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.2 | -30.2 | -174.1 | -171.9 | -108.1 | 0 | 0 | 0 | 113.1 | L1258 S1259 L1265 V1291 | L1258-F1263 HydrophobicContact CD2-CD2 3.79Å; L1258-F1263 HydrophobicContact CD2-CE2 3.96Å; S1259-F1263 WeakPolarHBondContact O-CB 3.36Å; S1259-F1263 PolarHBondContact O-N 2.95Å; F1263-L1265 PolarHBondContact O-N 3.48Å; F1263-V1291 HydrophobicContact CE1-CG1 4.22Å; F1263-V1291 HydrophobicContact CE2-CB 4.4Å; F1263-V1291 HydrophobicContact CE2-CG2 4Å; F1263-V1291 HydrophobicContact CZ-CB 4.01Å; F1263-V1291 HydrophobicContact CZ-CG1 3.82Å; F1263-V1291 HydrophobicContact CZ-CG2 4.09Å |
| 1264 | R | 93.4 | Very high | 93.9 | Very high | 54 Ų | 54 | 29 Ų | 29 | 20% | 0.204 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.6 | 176.5 | 72.3 | 168.7 | -67.6 | -70.5 | -5.5 | 114.9 | S1260 V1262 S1266 S1419 Q1423 | S1260-R1264 VanDerWaalsContact O-CG 3.31Å; S1260-R1264 WeakPolarHBondContact O-CG 3.29Å; V1262-R1264 PolarHBondContact O-N 2.96Å; V1262-R1264 VanDerWaalsContact O-N 3.15Å; R1264-S1266 PolarHBondContact O-N 2.9Å; R1264-S1419 VanDerWaalsContact CD-OG 3.26Å; R1264-S1419 WeakPolarHBondContact CD-OG 3.42Å; R1264-S1419 VanDerWaalsContact CG-OG 3.23Å; R1264-S1419 WeakPolarHBondContact CG-OG 3.3Å; R1264-S1419 PolarHBondContact NH1-O 3.31Å; R1264-S1419 PolarHBondContact NH1-OG 3.28Å; R1264-Q1423 PolarHBondContact NH1-O 2.96Å; R1264-Q1423 PolarHBondContact NH2-O 2.94Å |
| 1265 | L | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -76.2 | 62.7 | -178 | -64.6 | 179.9 | 0 | 0 | 0 | 112 | M1219 V1262 F1263 E1267 T1268 Y1269 S1419 I1422 Q1423 | M1219-L1265 HydrophobicContact CE-CD1 3.53Å; V1262-L1265 VanDerWaalsContact O-CB 3.31Å; V1262-L1265 WeakPolarHBondContact O-CB 3.3Å; V1262-L1265 PolarHBondContact O-N 2.99Å; F1263-L1265 PolarHBondContact O-N 3.48Å; L1265-E1267 PolarHBondContact O-N 3.16Å; L1265-T1268 WeakPolarHBondContact O-CB 3.33Å; L1265-T1268 PolarHBondContact O-N 3.03Å; L1265-Y1269 PolarHBondContact O-N 3.34Å; L1265-Y1269 VanDerWaalsContact O-N 3.11Å; L1265-S1419 VanDerWaalsContact CD2-OG 3.28Å; L1265-S1419 WeakPolarHBondContact CD2-OG 3.43Å; L1265-I1422 HydrophobicContact CD2-CG2 4.19Å; L1265-Q1423 VanDerWaalsContact C-OE1 3.23Å; L1265-Q1423 HydrophobicContact CD2-CB 3.87Å; L1265-Q1423 HydrophobicContact CD2-CG 4.24Å | ||
| 1266 | S | 91.4 | Very high | 94 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -50.7 | -51.1 | -171.4 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | R1264 T1268 Y1269 D1270 | R1264-S1266 PolarHBondContact O-N 2.9Å; S1266-T1268 PolarHBondContact O-N 3.05Å; S1266-Y1269 WeakPolarHBondContact O-CB 3.24Å; S1266-Y1269 PolarHBondContact O-N 3.47Å; S1266-Y1269 VanDerWaalsContact O-N 3.12Å; S1266-D1270 WeakPolarHBondContact O-CB 3.31Å; S1266-D1270 PolarHBondContact O-N 3.2Å |
| 1267 | E | 92.6 | Very high | 93.8 | Very high | 115 Ų | 115 | 38.8 Ų | 38.8 | 54% | 0.537 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.2 | -25.5 | -179 | -19.1 | 169.6 | 133.1 | 0 | 0 | 112.8 | L1265 A1271 Q1423 | L1265-E1267 PolarHBondContact O-N 3.16Å; E1267-A1271 WeakPolarHBondContact O-CB 3.12Å; E1267-A1271 PolarHBondContact O-N 3.49Å; E1267-Q1423 HydrophobicContact CG-CG 4.35Å; E1267-Q1423 VanDerWaalsContact OE2-CD 3.25Å; E1267-Q1423 WeakPolarHBondContact OE2-CG 3.38Å; E1267-Q1423 PolarHBondContact OE2-NE2 3.05Å |
| 1268 | T | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.7 | -42.3 | 174.7 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | L1224 R1227 M1228 M1231 L1265 S1266 L1272 Q1423 | L1224-T1268 HydrophobicContact CD1-CG2 4.21Å; L1224-T1268 VanDerWaalsContact CD1-OG1 3.24Å; L1224-T1268 WeakPolarHBondContact CD1-OG1 3.39Å; R1227-T1268 HydrophobicContact CB-CG2 4.43Å; R1227-T1268 HydrophobicContact CG-CG2 4.15Å; R1227-T1268 PolarHBondContact NE-OG1 3.37Å; R1227-T1268 PolarHBondContact NH2-OG1 3.12Å; M1228-T1268 HydrophobicContact CG-CG2 4.25Å; M1231-T1268 HydrophobicContact SD-CG2 3.59Å; M1231-T1268 VanDerWaalsContact SD-CG2 3.59Å; L1265-T1268 WeakPolarHBondContact O-CB 3.33Å; L1265-T1268 PolarHBondContact O-N 3.03Å; S1266-T1268 PolarHBondContact O-N 3.05Å; T1268-L1272 HydrophobicContact CG2-CD1 4.28Å; T1268-L1272 WeakPolarHBondContact O-CB 3.28Å; T1268-L1272 VanDerWaalsContact O-CG 3.22Å; T1268-L1272 WeakPolarHBondContact O-CG 3.47Å; T1268-L1272 PolarHBondContact O-N 3.38Å; T1268-Q1423 PolarHBondContact OG1-NE2 3.42Å |
| 1269 | Y | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 169.6 | -87.7 | -91.2 | 0 | 0 | 0 | 112.1 | M1231 L1257 V1262 L1265 S1266 A1271 L1272 I1273 F1284 L1287 R1288 | M1231-Y1269 HydrophobicContact CE-CD2 4.23Å; M1231-Y1269 HydrophobicContact CE-CE1 4.44Å; M1231-Y1269 HydrophobicContact CE-CE2 3.64Å; L1257-Y1269 PolarHBondContact O-OH 3.17Å; V1262-Y1269 HydrophobicContact CG1-CE2 4.45Å; L1265-Y1269 PolarHBondContact O-N 3.34Å; L1265-Y1269 VanDerWaalsContact O-N 3.11Å; S1266-Y1269 WeakPolarHBondContact O-CB 3.24Å; S1266-Y1269 PolarHBondContact O-N 3.47Å; S1266-Y1269 VanDerWaalsContact O-N 3.12Å; Y1269-A1271 VanDerWaalsContact C-N 3.34Å; Y1269-A1271 PolarHBondContact O-N 3.03Å; Y1269-L1272 WeakPolarHBondContact O-CB 3.44Å; Y1269-L1272 PolarHBondContact O-N 2.96Å; Y1269-L1272 VanDerWaalsContact O-N 3.16Å; Y1269-I1273 WeakPolarHBondContact O-CB 3.21Å; Y1269-I1273 WeakPolarHBondContact O-CG1 3.36Å; Y1269-I1273 PolarHBondContact O-N 3.33Å; Y1269-F1284 HydrophobicContact CD1-CD1 4.24Å; Y1269-F1284 AromaticContact CE1-CD1 3.88Å; Y1269-F1284 HydrophobicContact CE1-CD1 3.88Å; Y1269-F1284 HydrophobicContact CE1-CE1 4.49Å; Y1269-L1287 HydrophobicContact CE1-CD2 4.21Å; Y1269-R1288 HydrophobicContact CD1-CG 4.15Å |
| 1270 | D | 94 | Very high | 93.4 | Very high | 72 Ų | 72 | 41.3 Ų | 41.3 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -71.1 | -32.7 | -175.8 | -56.7 | -19.7 | 0 | 0 | 0 | 110.6 | S1266 S1274 R1288 | S1266-D1270 WeakPolarHBondContact O-CB 3.31Å; S1266-D1270 PolarHBondContact O-N 3.2Å; D1270-S1274 VanDerWaalsContact O-CB 3.26Å; D1270-S1274 WeakPolarHBondContact O-CB 3.19Å; D1270-S1274 PolarHBondContact O-N 3.14Å; D1270-S1274 PolarHBondContact O-OG 2.94Å; D1270-R1288 IonicContact OD1-CZ 3.4Å; D1270-R1288 IonicContact OD1-NH2 3.78Å; D1270-R1288 PolarHBondContact OD1-NH2 3.46Å; D1270-R1288 IonicContact OD2-NH2 2.87Å |
| 1271 | A | 94.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.7 | -37.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1224 M1228 E1267 Y1269 K1275 | L1224-A1271 HydrophobicContact CD1-CB 4.48Å; L1224-A1271 HydrophobicContact CD2-CB 4.43Å; M1228-A1271 HydrophobicContact CE-CB 4.18Å; M1228-A1271 WeakPolarHBondContact CE-O 3.3Å; M1228-A1271 HydrophobicContact SD-CB 3.7Å; E1267-A1271 WeakPolarHBondContact O-CB 3.12Å; E1267-A1271 PolarHBondContact O-N 3.49Å; Y1269-A1271 VanDerWaalsContact C-N 3.34Å; Y1269-A1271 PolarHBondContact O-N 3.03Å; A1271-K1275 HydrophobicContact CB-CD 4.46Å; A1271-K1275 VanDerWaalsContact O-CB 3.25Å; A1271-K1275 WeakPolarHBondContact O-CB 3.45Å; A1271-K1275 PolarHBondContact O-N 2.95Å |
| 1272 | L | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 173.5 | -77.8 | 164.9 | 0 | 0 | 0 | 111 | M1228 M1231 Q1232 T1268 Y1269 S1276 F1284 | M1228-L1272 HydrophobicContact CB-CD2 3.89Å; M1228-L1272 HydrophobicContact CB-CG 4.44Å; M1228-L1272 HydrophobicContact CE-CD2 4.3Å; M1228-L1272 HydrophobicContact CG-CD2 4.07Å; M1228-L1272 HydrophobicContact CG-CG 4.1Å; M1231-L1272 HydrophobicContact CB-CD1 3.92Å; M1231-L1272 HydrophobicContact CE-CD1 3.88Å; M1231-L1272 HydrophobicContact SD-CD1 3.93Å; Q1232-L1272 HydrophobicContact CG-CD2 3.73Å; T1268-L1272 HydrophobicContact CG2-CD1 4.28Å; T1268-L1272 WeakPolarHBondContact O-CB 3.28Å; T1268-L1272 VanDerWaalsContact O-CG 3.22Å; T1268-L1272 WeakPolarHBondContact O-CG 3.47Å; T1268-L1272 PolarHBondContact O-N 3.38Å; Y1269-L1272 WeakPolarHBondContact O-CB 3.44Å; Y1269-L1272 PolarHBondContact O-N 2.96Å; Y1269-L1272 VanDerWaalsContact O-N 3.16Å; L1272-S1276 WeakPolarHBondContact CA-OG 3.39Å; L1272-S1276 WeakPolarHBondContact O-CB 3.27Å; L1272-S1276 PolarHBondContact O-N 3.22Å; L1272-S1276 VanDerWaalsContact O-N 3.16Å; L1272-S1276 PolarHBondContact O-OG 3.34Å; L1272-F1284 HydrophobicContact CB-CD2 3.87Å; L1272-F1284 HydrophobicContact CB-CE2 4.3Å; L1272-F1284 HydrophobicContact CB-CG 4.32Å; L1272-F1284 HydrophobicContact CD1-CD1 4.39Å; L1272-F1284 HydrophobicContact CD1-CD2 4.07Å; L1272-F1284 HydrophobicContact CD1-CE1 4.14Å; L1272-F1284 HydrophobicContact CD1-CE2 3.83Å; L1272-F1284 HydrophobicContact CD1-CG 4.37Å; L1272-F1284 HydrophobicContact CD1-CZ 3.87Å; L1272-F1284 HydrophobicContact CD2-CD2 4.33Å; L1272-F1284 HydrophobicContact CD2-CE2 3.94Å; L1272-F1284 HydrophobicContact CG-CD2 4.31Å; L1272-F1284 HydrophobicContact CG-CE2 4.24Å |
| 1273 | I | 94.3 | Very high | 93 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 17% | 0.169 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.7 | -46.8 | 178.9 | -69.4 | 169.4 | 0 | 0 | 0 | 111 | Y1269 R1281 F1284 E1285 R1288 | Y1269-I1273 WeakPolarHBondContact O-CB 3.21Å; Y1269-I1273 WeakPolarHBondContact O-CG1 3.36Å; Y1269-I1273 PolarHBondContact O-N 3.33Å; I1273-R1281 HydrophobicContact CB-CG 4.43Å; I1273-R1281 HydrophobicContact CG2-CG 3.97Å; I1273-R1281 WeakPolarHBondContact O-CD 3.09Å; I1273-R1281 WeakPolarHBondContact O-CG 3.45Å; I1273-F1284 HydrophobicContact CD1-CB 4.4Å; I1273-F1284 HydrophobicContact CG1-CB 3.89Å; I1273-E1285 HydrophobicContact CD1-CG 4.16Å; I1273-E1285 HydrophobicContact CG1-CG 4.1Å; I1273-E1285 HydrophobicContact CG2-CG 3.83Å; I1273-R1288 HydrophobicContact CD1-CG 4.06Å |
| 1274 | S | 93.6 | Very high | 93 | Very high | 90 Ų | 90 | 47.5 Ų | 47.5 | 63% | 0.629 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -79.2 | -28.2 | -175.4 | 58.9 | 0 | 0 | 0 | 0 | 115.5 | D1270 | D1270-S1274 VanDerWaalsContact O-CB 3.26Å; D1270-S1274 WeakPolarHBondContact O-CB 3.19Å; D1270-S1274 PolarHBondContact O-N 3.14Å; D1270-S1274 PolarHBondContact O-OG 2.94Å |
| 1275 | K | 92.7 | Very high | 92.9 | Very high | 145 Ų | 145 | 48.7 Ų | 48.7 | 63% | 0.63 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -115 | -17.2 | -171 | -54.3 | 178.9 | -178.5 | 177.6 | 0 | 115.4 | M1228 A1271 | M1228-K1275 HydrophobicContact CE-CB 4.23Å; A1271-K1275 HydrophobicContact CB-CD 4.46Å; A1271-K1275 VanDerWaalsContact O-CB 3.25Å; A1271-K1275 WeakPolarHBondContact O-CB 3.45Å; A1271-K1275 PolarHBondContact O-N 2.95Å |
| 1276 | S | 91.7 | Very high | 92.7 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -76.1 | 171.2 | -179 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | Q1232 L1272 | Q1232-S1276 PolarHBondContact NE2-OG 3.25Å; L1272-S1276 WeakPolarHBondContact CA-OG 3.39Å; L1272-S1276 WeakPolarHBondContact O-CB 3.27Å; L1272-S1276 PolarHBondContact O-N 3.22Å; L1272-S1276 VanDerWaalsContact O-N 3.16Å; L1272-S1276 PolarHBondContact O-OG 3.34Å |
| 1277 | K | 92.2 | Very high | 92.6 | Very high | 109 Ų | 109 | 51.3 Ų | 51.3 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | trans | -64.2 | 156.5 | 166.4 | -62.4 | -51.5 | -172 | -180 | 0 | 111.2 | H1279 Y1280 R1281 N1451 | K1277-H1279 PolarHBondContact O-N 3.33Å; K1277-H1279 VanDerWaalsContact O-N 3.07Å; K1277-Y1280 PolarHBondContact O-N 2.85Å; K1277-R1281 PolarHBondContact O-N 2.68Å; K1277-N1451 WeakPolarHBondContact CG-O 3.34Å | ||
| 1278 | C | 90.5 | Very high | 92.2 | Very high | 73 Ų | 73 | 48 Ų | 48 | 49% | 0.493 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -46.4 | -40.9 | -176.6 | -171.7 | 0 | 0 | 0 | 0 | 113.8 | R1281 N1282 | C1278-R1281 PolarHBondContact O-N 2.98Å; C1278-N1282 WeakPolarHBondContact O-CB 3.44Å; C1278-N1282 PolarHBondContact O-N 2.94Å; C1278-N1282 PolarHBondContact O-OD1 2.67Å |
| 1279 | H | 89.5 | Confident | 91.6 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 15% | 0.148 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -46.2 | -179.7 | 55.9 | -106.6 | 0 | 0 | 0 | 113.2 | K1277 F1283 V1453 Q1454 | K1277-H1279 PolarHBondContact O-N 3.33Å; K1277-H1279 VanDerWaalsContact O-N 3.07Å; H1279-F1283 WeakPolarHBondContact O-CB 3.44Å; H1279-F1283 PolarHBondContact O-N 3.2Å; H1279-V1453 PolarHBondContact CE1-O 3.29Å; H1279-Q1454 HydrophobicContact CB-CG 3.68Å; H1279-Q1454 WeakPolarHBondContact ND1-CG 3.4Å |
| 1280 | Y | 94.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.4 | -39 | 175.6 | -68.5 | -51.1 | 0 | 0 | 0 | 111.9 | Q1232 R1233 A1235 D1236 K1277 F1283 F1284 N1451 | Q1232-Y1280 HydrophobicContact CB-CD1 4.38Å; Q1232-Y1280 HydrophobicContact CB-CD2 4.45Å; Q1232-Y1280 HydrophobicContact CB-CE1 4.06Å; Q1232-Y1280 HydrophobicContact CB-CE2 4.1Å; Q1232-Y1280 HydrophobicContact CG-CD1 4.14Å; Q1232-Y1280 HydrophobicContact CG-CD2 3.85Å; Q1232-Y1280 HydrophobicContact CG-CE1 4.29Å; Q1232-Y1280 HydrophobicContact CG-CE2 3.98Å; Q1232-Y1280 HydrophobicContact CG-CG 3.96Å; R1233-Y1280 PolarHBondContact NH2-OH 3.12Å; A1235-Y1280 HydrophobicContact CB-CD1 4.2Å; A1235-Y1280 HydrophobicContact CB-CE1 4.22Å; D1236-Y1280 VanDerWaalsContact CG-OH 3.25Å; D1236-Y1280 WeakPolarHBondContact OD1-CE1 3.43Å; D1236-Y1280 VanDerWaalsContact OD1-CZ 3.27Å; D1236-Y1280 PolarHBondContact OD1-OH 3.28Å; D1236-Y1280 PolarHBondContact OD2-OH 3.29Å; K1277-Y1280 PolarHBondContact O-N 2.85Å; Y1280-F1283 PolarHBondContact O-N 2.91Å; Y1280-F1284 WeakPolarHBondContact O-CD2 3.43Å; Y1280-F1284 PolarHBondContact O-N 3.3Å; Y1280-N1451 HydrophobicContact CE2-CB 4.31Å; Y1280-N1451 WeakPolarHBondContact CE2-OD1 3.26Å |
| 1281 | R | 93.2 | Very high | 89.8 | Confident | 96 Ų | 96 | 55 Ų | 55 | 36% | 0.362 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.3 | -57.6 | 174.8 | 178.4 | -169.9 | 71.6 | -167.1 | -1.7 | 110.3 | I1273 K1277 C1278 F1283 F1284 E1285 | I1273-R1281 HydrophobicContact CB-CG 4.43Å; I1273-R1281 HydrophobicContact CG2-CG 3.97Å; I1273-R1281 WeakPolarHBondContact O-CD 3.09Å; I1273-R1281 WeakPolarHBondContact O-CG 3.45Å; K1277-R1281 PolarHBondContact O-N 2.68Å; C1278-R1281 PolarHBondContact O-N 2.98Å; R1281-F1283 PolarHBondContact O-N 3.49Å; R1281-F1284 PolarHBondContact O-N 2.94Å; R1281-F1284 VanDerWaalsContact O-N 3.12Å; R1281-E1285 WeakPolarHBondContact CD-OE1 3.29Å; R1281-E1285 VanDerWaalsContact CG-CD 3.48Å; R1281-E1285 HydrophobicContact CG-CG 4.11Å; R1281-E1285 WeakPolarHBondContact CG-OE1 3.46Å; R1281-E1285 IonicContact NE-OE1 2.82Å; R1281-E1285 IonicContact NE-OE2 3.56Å; R1281-E1285 WeakPolarHBondContact O-CB 3.37Å; R1281-E1285 WeakPolarHBondContact O-CG 3.49Å; R1281-E1285 PolarHBondContact O-N 3.03Å |
| 1282 | N | 91 | Very high | 88.5 | Confident | 76 Ų | 76 | 62 Ų | 62 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.5 | -34.8 | -176.9 | -61.1 | 5.9 | 0 | 0 | 0 | 111.5 | C1278 S1286 | C1278-N1282 WeakPolarHBondContact O-CB 3.44Å; C1278-N1282 PolarHBondContact O-N 2.94Å; C1278-N1282 PolarHBondContact O-OD1 2.67Å; N1282-S1286 VanDerWaalsContact O-CB 3.3Å; N1282-S1286 WeakPolarHBondContact O-CB 3.47Å; N1282-S1286 PolarHBondContact O-N 2.59Å |
| 1283 | F | 92.3 | Very high | 87.1 | Confident | 36 Ų | 36 | 67 Ų | 67 | 16% | 0.158 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -50.6 | 172.9 | 172.8 | -92.2 | 0 | 0 | 0 | 112.4 | A1235 L1238 L1257 H1279 Y1280 R1281 S1286 L1287 | A1235-F1283 HydrophobicContact CB-CD1 3.78Å; A1235-F1283 HydrophobicContact CB-CE1 3.41Å; A1235-F1283 VanDerWaalsContact CB-CE1 3.41Å; A1235-F1283 HydrophobicContact CB-CZ 3.87Å; L1238-F1283 HydrophobicContact CD1-CE2 4.32Å; L1238-F1283 HydrophobicContact CD1-CZ 4.11Å; L1238-F1283 HydrophobicContact CD2-CE2 4.27Å; L1257-F1283 HydrophobicContact CD1-CE1 4.04Å; L1257-F1283 HydrophobicContact CD1-CZ 4.07Å; H1279-F1283 WeakPolarHBondContact O-CB 3.44Å; H1279-F1283 PolarHBondContact O-N 3.2Å; Y1280-F1283 PolarHBondContact O-N 2.91Å; R1281-F1283 PolarHBondContact O-N 3.49Å; F1283-S1286 PolarHBondContact O-N 3.34Å; F1283-L1287 WeakPolarHBondContact O-CB 3.1Å; F1283-L1287 PolarHBondContact O-N 2.86Å |
| 1284 | F | 94.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73.8 | -27.3 | -179.2 | -72.8 | -65.1 | 0 | 0 | 0 | 113.2 | M1231 A1235 L1257 Y1269 L1272 I1273 Y1280 R1281 L1287 R1288 | M1231-F1284 HydrophobicContact CB-CZ 4.24Å; M1231-F1284 HydrophobicContact CE-CE1 4.3Å; A1235-F1284 HydrophobicContact CB-CE2 4.29Å; A1235-F1284 HydrophobicContact CB-CZ 3.94Å; L1257-F1284 HydrophobicContact CD1-CE1 4.35Å; L1257-F1284 HydrophobicContact CD2-CE1 4.31Å; Y1269-F1284 HydrophobicContact CD1-CD1 4.24Å; Y1269-F1284 AromaticContact CE1-CD1 3.88Å; Y1269-F1284 HydrophobicContact CE1-CD1 3.88Å; Y1269-F1284 HydrophobicContact CE1-CE1 4.49Å; L1272-F1284 HydrophobicContact CB-CD2 3.87Å; L1272-F1284 HydrophobicContact CB-CE2 4.3Å; L1272-F1284 HydrophobicContact CB-CG 4.32Å; L1272-F1284 HydrophobicContact CD1-CD1 4.39Å; L1272-F1284 HydrophobicContact CD1-CD2 4.07Å; L1272-F1284 HydrophobicContact CD1-CE1 4.14Å; L1272-F1284 HydrophobicContact CD1-CE2 3.83Å; L1272-F1284 HydrophobicContact CD1-CG 4.37Å; L1272-F1284 HydrophobicContact CD1-CZ 3.87Å; L1272-F1284 HydrophobicContact CD2-CD2 4.33Å; L1272-F1284 HydrophobicContact CD2-CE2 3.94Å; L1272-F1284 HydrophobicContact CG-CD2 4.31Å; L1272-F1284 HydrophobicContact CG-CE2 4.24Å; I1273-F1284 HydrophobicContact CD1-CB 4.4Å; I1273-F1284 HydrophobicContact CG1-CB 3.89Å; Y1280-F1284 WeakPolarHBondContact O-CD2 3.43Å; Y1280-F1284 PolarHBondContact O-N 3.3Å; R1281-F1284 PolarHBondContact O-N 2.94Å; R1281-F1284 VanDerWaalsContact O-N 3.12Å; F1284-L1287 HydrophobicContact CD1-CD2 4.35Å; F1284-R1288 WeakPolarHBondContact O-CB 3.02Å; F1284-R1288 VanDerWaalsContact O-CG 3.31Å; F1284-R1288 WeakPolarHBondContact O-CG 3.4Å; F1284-R1288 PolarHBondContact O-N 2.92Å |
| 1285 | E | 91.8 | Very high | 83.6 | Confident | 79 Ų | 79 | 68.8 Ų | 68.8 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -49.8 | 166.9 | -74.8 | 171.7 | 156.1 | 0 | 0 | 110.7 | I1273 R1281 L1287 R1288 Q1289 | I1273-E1285 HydrophobicContact CD1-CG 4.16Å; I1273-E1285 HydrophobicContact CG1-CG 4.1Å; I1273-E1285 HydrophobicContact CG2-CG 3.83Å; R1281-E1285 WeakPolarHBondContact CD-OE1 3.29Å; R1281-E1285 VanDerWaalsContact CG-CD 3.48Å; R1281-E1285 HydrophobicContact CG-CG 4.11Å; R1281-E1285 WeakPolarHBondContact CG-OE1 3.46Å; R1281-E1285 IonicContact NE-OE1 2.82Å; R1281-E1285 IonicContact NE-OE2 3.56Å; R1281-E1285 WeakPolarHBondContact O-CB 3.37Å; R1281-E1285 WeakPolarHBondContact O-CG 3.49Å; R1281-E1285 PolarHBondContact O-N 3.03Å; E1285-L1287 PolarHBondContact O-N 3.45Å; E1285-R1288 WeakPolarHBondContact O-CB 3.44Å; E1285-R1288 PolarHBondContact O-N 3.23Å; E1285-Q1289 PolarHBondContact O-N 3.03Å |
| 1286 | S | 88.8 | Confident | 81.9 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.4 | -42.1 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | N1282 F1283 R1288 Q1289 F1290 | N1282-S1286 VanDerWaalsContact O-CB 3.3Å; N1282-S1286 WeakPolarHBondContact O-CB 3.47Å; N1282-S1286 PolarHBondContact O-N 2.59Å; F1283-S1286 PolarHBondContact O-N 3.34Å; S1286-R1288 PolarHBondContact O-N 3.02Å; S1286-Q1289 PolarHBondContact O-N 2.81Å; S1286-F1290 WeakPolarHBondContact O-CB 3.31Å; S1286-F1290 PolarHBondContact O-N 2.85Å |
| 1287 | L | 88.4 | Confident | 80.4 | Confident | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.1 | -36.5 | 176.9 | -161.8 | 82 | 0 | 0 | 0 | 112.4 | K1254 L1257 L1258 Y1269 F1283 F1284 E1285 | K1254-L1287 HydrophobicContact CG-CD1 4.33Å; L1257-L1287 HydrophobicContact CB-CD2 3.92Å; L1257-L1287 HydrophobicContact CD1-CD2 4.13Å; L1258-L1287 HydrophobicContact CD2-CD1 4.39Å; L1258-L1287 HydrophobicContact CD2-CD2 4.08Å; L1258-L1287 HydrophobicContact CD2-CG 3.94Å; Y1269-L1287 HydrophobicContact CE1-CD2 4.21Å; F1283-L1287 WeakPolarHBondContact O-CB 3.1Å; F1283-L1287 PolarHBondContact O-N 2.86Å; F1284-L1287 HydrophobicContact CD1-CD2 4.35Å; E1285-L1287 PolarHBondContact O-N 3.45Å |
| 1288 | R | 85.1 | Confident | 79.4 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 17% | 0.17 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 172.3 | -84.1 | -78.8 | -145.2 | -148.7 | 5.6 | 111.6 | Y1269 D1270 I1273 F1284 E1285 S1286 | Y1269-R1288 HydrophobicContact CD1-CG 4.15Å; D1270-R1288 IonicContact OD1-CZ 3.4Å; D1270-R1288 IonicContact OD1-NH2 3.78Å; D1270-R1288 PolarHBondContact OD1-NH2 3.46Å; D1270-R1288 IonicContact OD2-NH2 2.87Å; I1273-R1288 HydrophobicContact CD1-CG 4.06Å; F1284-R1288 WeakPolarHBondContact O-CB 3.02Å; F1284-R1288 VanDerWaalsContact O-CG 3.31Å; F1284-R1288 WeakPolarHBondContact O-CG 3.4Å; F1284-R1288 PolarHBondContact O-N 2.92Å; E1285-R1288 WeakPolarHBondContact O-CB 3.44Å; E1285-R1288 PolarHBondContact O-N 3.23Å; S1286-R1288 PolarHBondContact O-N 3.02Å |
| 1289 | Q | 81.9 | Confident | 78.5 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 52% | 0.523 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.4 | -39.4 | -176.4 | -178 | 174.2 | -6.4 | 0 | 0 | 112.3 | E1285 S1286 V1291 Q1292 D1293 | E1285-Q1289 PolarHBondContact O-N 3.03Å; S1286-Q1289 PolarHBondContact O-N 2.81Å; Q1289-V1291 PolarHBondContact O-N 3.14Å; Q1289-V1291 VanDerWaalsContact O-N 3.11Å; Q1289-Q1292 WeakPolarHBondContact O-CA 3.29Å; Q1289-Q1292 WeakPolarHBondContact O-CB 3.16Å; Q1289-Q1292 PolarHBondContact O-N 2.96Å; Q1289-D1293 WeakPolarHBondContact CG-OD2 3.33Å; Q1289-D1293 PolarHBondContact NE2-OD2 3.37Å; Q1289-D1293 PolarHBondContact O-N 3.36Å; Q1289-D1293 VanDerWaalsContact O-N 3.12Å |
| 1290 | F | 76 | Confident | 77.6 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 28% | 0.281 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -52.2 | -36.3 | 179.2 | 177.6 | -84.7 | 0 | 0 | 0 | 113.1 | S1286 Q1292 Y1299 | S1286-F1290 WeakPolarHBondContact O-CB 3.31Å; S1286-F1290 PolarHBondContact O-N 2.85Å; F1290-Q1292 VanDerWaalsContact C-N 3.31Å; F1290-Q1292 PolarHBondContact O-N 2.87Å; F1290-Y1299 HydrophobicContact CE2-CD2 4.47Å; F1290-Y1299 HydrophobicContact CZ-CD2 4.02Å; F1290-Y1299 HydrophobicContact CZ-CG 4.19Å |
| 1291 | V | 75.1 | Confident | 76.8 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -16.8 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 112.8 | L1258 F1263 Q1289 | L1258-V1291 HydrophobicContact CD1-CG2 4.17Å; L1258-V1291 HydrophobicContact CD2-CG2 3.64Å; F1263-V1291 HydrophobicContact CE1-CG1 4.22Å; F1263-V1291 HydrophobicContact CE2-CB 4.4Å; F1263-V1291 HydrophobicContact CE2-CG2 4Å; F1263-V1291 HydrophobicContact CZ-CB 4.01Å; F1263-V1291 HydrophobicContact CZ-CG1 3.82Å; F1263-V1291 HydrophobicContact CZ-CG2 4.09Å; Q1289-V1291 PolarHBondContact O-N 3.14Å; Q1289-V1291 VanDerWaalsContact O-N 3.11Å |
| 1292 | Q | 68.3 | Low | 76.1 | Confident | 153 Ų | 153 | 70.5 Ų | 70.5 | 72% | 0.715 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -33 | -179.8 | -61.5 | -179.8 | 7.9 | 0 | 0 | 112.3 | Q1289 F1290 | Q1289-Q1292 WeakPolarHBondContact O-CA 3.29Å; Q1289-Q1292 WeakPolarHBondContact O-CB 3.16Å; Q1289-Q1292 PolarHBondContact O-N 2.96Å; F1290-Q1292 VanDerWaalsContact C-N 3.31Å; F1290-Q1292 PolarHBondContact O-N 2.87Å |
| 1293 | D | 63.6 | Low | 75.7 | Confident | 104 Ų | 104 | 67.4 Ų | 67.4 | 56% | 0.556 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -91.1 | 8.1 | -178.5 | -70.4 | -30.2 | 0 | 0 | 0 | 113.8 | Q1289 S1295 | Q1289-D1293 WeakPolarHBondContact CG-OD2 3.33Å; Q1289-D1293 PolarHBondContact NE2-OD2 3.37Å; Q1289-D1293 PolarHBondContact O-N 3.36Å; Q1289-D1293 VanDerWaalsContact O-N 3.12Å; D1293-S1295 VanDerWaalsContact C-N 3.32Å; D1293-S1295 PolarHBondContact O-N 2.99Å |
| 1294 | D | 57.7 | Low | 75.2 | Confident | 82 Ų | 82 | 67.7 Ų | 67.7 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | trans | -74 | 72.6 | -164.7 | -156.7 | -6 | 0 | 0 | 0 | 114.7 | A1296 | D1294-A1296 PolarHBondContact O-N 2.87Å; D1294-A1296 VanDerWaalsContact O-N 3.11Å | ||
| 1295 | S | 56.8 | Low | 74.6 | Confident | 79 Ų | 79 | 72.2 Ų | 72.2 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | trans | -67.4 | 104.7 | 159.2 | 66.2 | 0 | 0 | 0 | 0 | 108.6 | D1293 N1297 V1298 | D1293-S1295 VanDerWaalsContact C-N 3.32Å; D1293-S1295 PolarHBondContact O-N 2.99Å; S1295-N1297 PolarHBondContact O-N 3.3Å; S1295-V1298 PolarHBondContact O-N 3.22Å; S1295-V1298 VanDerWaalsContact O-N 3.1Å; S1295-V1298 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 1296 | A | 56.8 | Low | 74.3 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 12.3 | -152.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | D1294 K1323 | D1294-A1296 PolarHBondContact O-N 2.87Å; D1294-A1296 VanDerWaalsContact O-N 3.11Å; A1296-K1323 PolarHBondContact O-NZ 3.36Å |
| 1297 | N | 61.9 | Low | 74.2 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -21.8 | 173.8 | -66.7 | -16.8 | 0 | 0 | 0 | 113.4 | S1295 Y1299 F1300 T1301 K1323 | S1295-N1297 PolarHBondContact O-N 3.3Å; N1297-Y1299 PolarHBondContact O-N 3.43Å; N1297-F1300 PolarHBondContact O-N 3.13Å; N1297-F1300 VanDerWaalsContact O-N 3.15Å; N1297-T1301 PolarHBondContact O-N 3.28Å; N1297-T1301 VanDerWaalsContact O-N 3.14Å; N1297-T1301 PolarHBondContact O-OG1 3.39Å; N1297-K1323 PolarHBondContact OD1-NZ 2.96Å |
| 1298 | V | 69.9 | Low | 74.1 | Confident | 77 Ų | 77 | 74.2 Ų | 74.2 | 47% | 0.467 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58 | -49.4 | -174.6 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | S1295 F1300 T1301 D1302 | S1295-V1298 PolarHBondContact O-N 3.22Å; S1295-V1298 VanDerWaalsContact O-N 3.1Å; S1295-V1298 WeakPolarHBondContact OG-CG2 3.39Å; V1298-F1300 VanDerWaalsContact C-N 3.28Å; V1298-F1300 PolarHBondContact O-N 2.9Å; V1298-T1301 PolarHBondContact O-N 3.05Å; V1298-T1301 VanDerWaalsContact O-N 3.14Å; V1298-D1302 PolarHBondContact O-N 3.09Å |
| 1299 | Y | 72 | Confident | 74.2 | Confident | 58 Ų | 58 | 80.6 Ų | 80.6 | 23% | 0.227 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.1 | -38.9 | 177.8 | 167.2 | -103.9 | 0 | 0 | 0 | 113.8 | Q1251 F1290 N1297 Y1303 V1320 | Q1251-Y1299 PolarHBondContact OE1-OH 2.94Å; F1290-Y1299 HydrophobicContact CE2-CD2 4.47Å; F1290-Y1299 HydrophobicContact CZ-CD2 4.02Å; F1290-Y1299 HydrophobicContact CZ-CG 4.19Å; N1297-Y1299 PolarHBondContact O-N 3.43Å; Y1299-Y1303 WeakPolarHBondContact O-CB 3.32Å; Y1299-Y1303 PolarHBondContact O-N 3.1Å; Y1299-V1320 HydrophobicContact CE1-CG1 3.79Å |
| 1300 | F | 71.6 | Confident | 74.4 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 179.4 | -176.9 | -100.5 | 0 | 0 | 0 | 111.1 | N1297 V1298 Y1303 Q1304 V1320 K1323 Q1325 | N1297-F1300 PolarHBondContact O-N 3.13Å; N1297-F1300 VanDerWaalsContact O-N 3.15Å; V1298-F1300 VanDerWaalsContact C-N 3.28Å; V1298-F1300 PolarHBondContact O-N 2.9Å; F1300-Y1303 PolarHBondContact O-N 2.79Å; F1300-Q1304 HydrophobicContact CD1-CG 4.24Å; F1300-Q1304 HydrophobicContact CE1-CG 3.8Å; F1300-Q1304 HydrophobicContact CE2-CG 4.35Å; F1300-Q1304 HydrophobicContact CZ-CG 3.85Å; F1300-Q1304 WeakPolarHBondContact O-CG 3.36Å; F1300-Q1304 PolarHBondContact O-N 3.17Å; F1300-V1320 HydrophobicContact CD2-CG1 4.27Å; F1300-K1323 HydrophobicContact CD2-CB 4.48Å; F1300-K1323 WeakPolarHBondContact CE2-O 2.98Å; F1300-K1323 WeakPolarHBondContact CZ-O 3.48Å; F1300-Q1325 HydrophobicContact CZ-CG 4.24Å |
| 1301 | T | 76.4 | Confident | 74.6 | Confident | 71 Ų | 71 | 80.7 Ų | 80.7 | 44% | 0.436 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 173.7 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | N1297 V1298 Y1303 Q1304 E1305 | N1297-T1301 PolarHBondContact O-N 3.28Å; N1297-T1301 VanDerWaalsContact O-N 3.14Å; N1297-T1301 PolarHBondContact O-OG1 3.39Å; V1298-T1301 PolarHBondContact O-N 3.05Å; V1298-T1301 VanDerWaalsContact O-N 3.14Å; T1301-Y1303 VanDerWaalsContact C-N 3.32Å; T1301-Y1303 PolarHBondContact O-N 3.46Å; T1301-Q1304 PolarHBondContact O-N 2.98Å; T1301-E1305 PolarHBondContact O-N 2.74Å |
| 1302 | D | 79.1 | Confident | 75.1 | Confident | 103 Ų | 103 | 81.2 Ų | 81.2 | 55% | 0.551 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -57.5 | -43.4 | 174.4 | -90.9 | 9.5 | 0 | 0 | 0 | 112 | V1298 K1306 | V1298-D1302 PolarHBondContact O-N 3.09Å; D1302-K1306 VanDerWaalsContact O-CB 3.27Å; D1302-K1306 WeakPolarHBondContact O-CB 3.48Å; D1302-K1306 PolarHBondContact O-N 2.73Å |
| 1303 | Y | 82.1 | Confident | 76.1 | Confident | 11 Ų | 11 | 76 Ų | 76 | 4% | 0.043 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 176.6 | 176.7 | -97.6 | 0 | 0 | 0 | 112 | L1247 Y1299 F1300 T1301 K1306 L1307 F1317 V1320 | L1247-Y1303 HydrophobicContact CB-CE2 3.98Å; L1247-Y1303 HydrophobicContact CD1-CD2 4.14Å; L1247-Y1303 HydrophobicContact CD1-CE2 3.52Å; L1247-Y1303 HydrophobicContact CG-CE2 4.38Å; Y1299-Y1303 WeakPolarHBondContact O-CB 3.32Å; Y1299-Y1303 PolarHBondContact O-N 3.1Å; F1300-Y1303 PolarHBondContact O-N 2.79Å; T1301-Y1303 VanDerWaalsContact C-N 3.32Å; T1301-Y1303 PolarHBondContact O-N 3.46Å; Y1303-K1306 PolarHBondContact O-N 2.88Å; Y1303-L1307 HydrophobicContact CE1-CD2 3.99Å; Y1303-L1307 VanDerWaalsContact O-CB 3.32Å; Y1303-L1307 WeakPolarHBondContact O-CB 3.37Å; Y1303-L1307 PolarHBondContact O-N 3.27Å; Y1303-F1317 HydrophobicContact CE2-CB 4.12Å; Y1303-F1317 WeakPolarHBondContact OH-CA 3.5Å; Y1303-F1317 PolarHBondContact OH-N 3.17Å; Y1303-F1317 PolarHBondContact OH-O 3.11Å; Y1303-V1320 HydrophobicContact CD1-CG2 3.94Å; Y1303-V1320 HydrophobicContact CE1-CG2 3.55Å |
| 1304 | Q | 80.6 | Confident | 77.5 | Confident | 42 Ų | 42 | 71.1 Ų | 71.1 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 178.1 | -68.9 | -154.6 | -70.3 | 0 | 0 | 112.1 | F1300 T1301 K1306 L1307 H1308 | F1300-Q1304 HydrophobicContact CD1-CG 4.24Å; F1300-Q1304 HydrophobicContact CE1-CG 3.8Å; F1300-Q1304 HydrophobicContact CE2-CG 4.35Å; F1300-Q1304 HydrophobicContact CZ-CG 3.85Å; F1300-Q1304 WeakPolarHBondContact O-CG 3.36Å; F1300-Q1304 PolarHBondContact O-N 3.17Å; T1301-Q1304 PolarHBondContact O-N 2.98Å; Q1304-K1306 VanDerWaalsContact C-N 3.29Å; Q1304-K1306 PolarHBondContact O-N 3.06Å; Q1304-L1307 PolarHBondContact O-N 2.88Å; Q1304-H1308 WeakPolarHBondContact O-CB 3.41Å; Q1304-H1308 PolarHBondContact O-CD2 2.9Å; Q1304-H1308 PolarHBondContact O-N 2.87Å |
| 1305 | E | 83.7 | Confident | 79.2 | Confident | 95 Ų | 95 | 67.3 Ų | 67.3 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 175.2 | -78.6 | -151.2 | -149 | 0 | 0 | 111.8 | T1301 R1309 | T1301-E1305 PolarHBondContact O-N 2.74Å; E1305-R1309 WeakPolarHBondContact O-CD 3.14Å; E1305-R1309 WeakPolarHBondContact O-CG 3.2Å; E1305-R1309 PolarHBondContact O-N 3.42Å; E1305-R1309 IonicContact OE2-CZ 3.35Å; E1305-R1309 IonicContact OE2-NE 3.98Å; E1305-R1309 IonicContact OE2-NH2 2.67Å; E1305-R1309 PolarHBondContact OE2-NH2 3.1Å |
| 1306 | K | 85.3 | Confident | 80.8 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 34% | 0.343 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.8 | -46.5 | 176.6 | -164.6 | 165.7 | -164.6 | 167.1 | 0 | 111.8 | D1242 L1247 D1302 Y1303 Q1304 H1308 R1309 I1310 | D1242-K1306 IonicContact OD1-NZ 3.86Å; D1242-K1306 PolarHBondContact OD1-NZ 3.35Å; D1242-K1306 IonicContact OD2-NZ 3.55Å; D1242-K1306 PolarHBondContact OD2-NZ 3.34Å; L1247-K1306 HydrophobicContact CD2-CD 4.09Å; L1247-K1306 HydrophobicContact CD2-CG 4.43Å; D1302-K1306 VanDerWaalsContact O-CB 3.27Å; D1302-K1306 WeakPolarHBondContact O-CB 3.48Å; D1302-K1306 PolarHBondContact O-N 2.73Å; Y1303-K1306 PolarHBondContact O-N 2.88Å; Q1304-K1306 VanDerWaalsContact C-N 3.29Å; Q1304-K1306 PolarHBondContact O-N 3.06Å; K1306-H1308 VanDerWaalsContact C-N 3.3Å; K1306-H1308 PolarHBondContact O-N 2.92Å; K1306-R1309 PolarHBondContact O-N 3.06Å; K1306-I1310 WeakPolarHBondContact O-CG1 3.34Å; K1306-I1310 PolarHBondContact O-N 3.4Å; K1306-I1310 VanDerWaalsContact O-N 3.16Å |
| 1307 | L | 85.4 | Confident | 82.1 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.7 | -39 | 177.7 | -175.2 | 62.9 | 0 | 0 | 0 | 112 | L1247 Y1303 Q1304 R1309 I1310 P1316 Y1373 Y1374 F1377 | L1247-L1307 HydrophobicContact CD1-CB 4.4Å; L1247-L1307 HydrophobicContact CD1-CD1 4.2Å; Y1303-L1307 HydrophobicContact CE1-CD2 3.99Å; Y1303-L1307 VanDerWaalsContact O-CB 3.32Å; Y1303-L1307 WeakPolarHBondContact O-CB 3.37Å; Y1303-L1307 PolarHBondContact O-N 3.27Å; Q1304-L1307 PolarHBondContact O-N 2.88Å; L1307-R1309 VanDerWaalsContact C-N 3.29Å; L1307-R1309 PolarHBondContact O-N 2.94Å; L1307-I1310 PolarHBondContact O-N 3.24Å; L1307-P1316 HydrophobicContact CD1-CB 3.77Å; L1307-P1316 HydrophobicContact CD1-CG 3.83Å; L1307-Y1373 VanDerWaalsContact C-OH 3.28Å; L1307-Y1373 HydrophobicContact CD2-CE1 3.97Å; L1307-Y1373 HydrophobicContact CG-CE1 4.12Å; L1307-Y1373 PolarHBondContact O-OH 3.1Å; L1307-Y1374 HydrophobicContact CD2-CD1 4.5Å; L1307-Y1374 HydrophobicContact CD2-CE1 3.86Å; L1307-F1377 HydrophobicContact CD1-CE1 4.32Å; L1307-F1377 HydrophobicContact CD1-CE2 3.98Å; L1307-F1377 HydrophobicContact CD1-CZ 3.65Å; L1307-F1377 HydrophobicContact CG-CZ 4.4Å |
| 1308 | H | 86.2 | Confident | 82.8 | Confident | 127 Ų | 127 | 56.7 Ų | 56.7 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.3 | -18.4 | 174.1 | -74.4 | -45 | 0 | 0 | 0 | 114.7 | Q1304 K1306 Y1373 | Q1304-H1308 WeakPolarHBondContact O-CB 3.41Å; Q1304-H1308 PolarHBondContact O-CD2 2.9Å; Q1304-H1308 PolarHBondContact O-N 2.87Å; K1306-H1308 VanDerWaalsContact C-N 3.3Å; K1306-H1308 PolarHBondContact O-N 2.92Å; H1308-Y1373 WeakPolarHBondContact CA-OH 3.48Å; H1308-Y1373 AromaticContact CE1-CE1 3.74Å; H1308-Y1373 AromaticContact CE1-CZ 3.91Å; H1308-Y1373 PolarHBondContact N-OH 3.19Å; H1308-Y1373 AromaticContact ND1-CE1 3.85Å; H1308-Y1373 AromaticContact ND1-CZ 3.54Å; H1308-Y1373 PolarHBondContact ND1-OH 3.34Å |
| 1309 | R | 87.6 | Confident | 82.7 | Confident | 178 Ų | 178 | 54.2 Ų | 54.2 | 67% | 0.672 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -95.7 | -11.4 | 177.8 | -67.9 | 164.2 | -171.6 | -143 | 9.4 | 113.6 | E1305 K1306 L1307 | E1305-R1309 WeakPolarHBondContact O-CD 3.14Å; E1305-R1309 WeakPolarHBondContact O-CG 3.2Å; E1305-R1309 PolarHBondContact O-N 3.42Å; E1305-R1309 IonicContact OE2-CZ 3.35Å; E1305-R1309 IonicContact OE2-NE 3.98Å; E1305-R1309 IonicContact OE2-NH2 2.67Å; E1305-R1309 PolarHBondContact OE2-NH2 3.1Å; K1306-R1309 PolarHBondContact O-N 3.06Å; L1307-R1309 VanDerWaalsContact C-N 3.29Å; L1307-R1309 PolarHBondContact O-N 2.94Å |
| 1310 | I | 85.8 | Confident | 81.8 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 128.7 | 179 | -71.7 | 167.8 | 0 | 0 | 0 | 110.3 | N1245 L1247 K1306 L1307 F1377 | N1245-I1310 HydrophobicContact CB-CD1 4.22Å; N1245-I1310 HydrophobicContact CB-CG1 4.38Å; N1245-I1310 HydrophobicContact CB-CG2 3.84Å; L1247-I1310 HydrophobicContact CD1-CD1 3.66Å; L1247-I1310 HydrophobicContact CD2-CD1 4Å; L1247-I1310 HydrophobicContact CG-CD1 3.81Å; K1306-I1310 WeakPolarHBondContact O-CG1 3.34Å; K1306-I1310 PolarHBondContact O-N 3.4Å; K1306-I1310 VanDerWaalsContact O-N 3.16Å; L1307-I1310 PolarHBondContact O-N 3.24Å; I1310-F1377 HydrophobicContact CB-CE1 4.32Å; I1310-F1377 HydrophobicContact CG2-CE1 3.84Å |
| 1311 | H | 81.8 | Confident | 80.6 | Confident | 159 Ų | 159 | 52.1 Ų | 52.1 | 74% | 0.736 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -94 | 136.1 | 162 | -66.8 | -64.7 | 0 | 0 | 0 | 109.6 | N1245 | N1245-H1311 PolarHBondContact ND2-O 3.44Š|
| 1312 | P | 84.4 | Confident | 79 | Confident | 56 Ų | 56 | 55 Ų | 55 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -57.3 | 148.6 | 176.1 | -26.7 | 35.6 | 0 | 0 | 0 | 113.4 | F1377 T1380 | P1312-F1377 HydrophobicContact CG-CD1 4.22Å; P1312-T1380 HydrophobicContact CB-CG2 4.27Å |
| 1313 | P | 90.3 | Very high | 77.8 | Confident | 44 Ų | 44 | 54 Ų | 54 | 29% | 0.286 | 27% | 0.27 | S | S | . | . | S | Bend | cis | -71.1 | 147.1 | 2.3 | 31 | -35.8 | 0 | 0 | 0 | 112.9 | N1245 T1380 Y1382 | N1245-P1313 PolarHBondContact ND2-O 3.12Å; P1313-T1380 HydrophobicContact CB-CG2 4.25Å; P1313-Y1382 HydrophobicContact CB-CD1 3.93Å; P1313-Y1382 HydrophobicContact CB-CD2 4.28Å; P1313-Y1382 HydrophobicContact CB-CE1 3.93Å; P1313-Y1382 HydrophobicContact CB-CE2 4.27Å; P1313-Y1382 HydrophobicContact CB-CG 4.13Å; P1313-Y1382 HydrophobicContact CG-CD1 4.06Å; P1313-Y1382 HydrophobicContact CG-CE1 4.14Å |
| 1314 | G | 91.4 | Very high | 76.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -167.4 | 153.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | N1245 Y1382 | N1245-G1314 WeakPolarHBondContact O-CA 3.44Å; G1314-Y1382 VanDerWaalsContact CA-OH 3.27Å; G1314-Y1382 WeakPolarHBondContact CA-OH 3.34Å | ||
| 1315 | L | 93.3 | Very high | 76.5 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -123.9 | 99.3 | -177.8 | -163 | 67 | 0 | 0 | 0 | 110.9 | E1177 W1178 Y1181 N1245 N1246 L1247 Q1248 Y1382 | E1177-L1315 HydrophobicContact CB-CD2 3.42Å; E1177-L1315 VanDerWaalsContact CB-CD2 3.42Å; E1177-L1315 HydrophobicContact CG-CD2 4.49Å; E1177-L1315 WeakPolarHBondContact OE2-CD2 3.47Å; W1178-L1315 HydrophobicContact CB-CD1 4.15Å; Y1181-L1315 HydrophobicContact CD1-CD1 3.91Å; Y1181-L1315 HydrophobicContact CD2-CD1 3.74Å; Y1181-L1315 HydrophobicContact CE2-CD1 4.41Å; Y1181-L1315 HydrophobicContact CG-CD1 3.46Å; Y1181-L1315 VanDerWaalsContact CG-CD1 3.46Å; N1245-L1315 PolarHBondContact O-N 3.03Å; N1246-L1315 HydrophobicContact CB-CB 4.43Å; L1247-L1315 WeakPolarHBondContact CB-O 3.22Å; L1247-L1315 PolarHBondContact N-O 3.43Å; Q1248-L1315 HydrophobicContact CB-CD2 3.96Å; Q1248-L1315 HydrophobicContact CB-CG 4.19Å; Q1248-L1315 HydrophobicContact CG-CD2 4.36Å; Q1248-L1315 PolarHBondContact N-O 2.81Å; L1315-Y1382 PolarHBondContact N-OH 3.48Å |
| 1316 | P | 90.5 | Very high | 76 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | trans | -70.5 | 136.6 | 178.7 | -19.4 | 32.2 | 0 | 0 | 0 | 112.9 | Y1181 L1307 I1318 Y1374 F1377 | Y1181-P1316 WeakPolarHBondContact CE2-O 3.22Å; Y1181-P1316 WeakPolarHBondContact OH-CG 3.29Å; L1307-P1316 HydrophobicContact CD1-CB 3.77Å; L1307-P1316 HydrophobicContact CD1-CG 3.83Å; P1316-I1318 PolarHBondContact O-N 2.66Å; P1316-Y1374 HydrophobicContact CB-CD1 3.91Å; P1316-Y1374 HydrophobicContact CB-CE1 4.25Å; P1316-F1377 HydrophobicContact CG-CB 3.99Å; P1316-F1377 HydrophobicContact CG-CD1 3.97Å; P1316-F1377 HydrophobicContact CG-CD2 3.45Å; P1316-F1377 VanDerWaalsContact CG-CD2 3.45Å; P1316-F1377 HydrophobicContact CG-CE1 4.32Å; P1316-F1377 HydrophobicContact CG-CE2 3.84Å; P1316-F1377 HydrophobicContact CG-CG 3.52Å; P1316-F1377 HydrophobicContact CG-CZ 4.26Å | ||
| 1317 | F | 85.5 | Confident | 75.3 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | trans | -75.8 | 105.6 | 163.8 | -178.9 | -146.1 | 0 | 0 | 0 | 108.9 | Q1251 Y1303 A1319 V1320 M1653 | Q1251-F1317 HydrophobicContact CB-CD1 4.04Å; Q1251-F1317 HydrophobicContact CB-CE1 4.01Å; Q1251-F1317 HydrophobicContact CB-CG 4.5Å; Q1251-F1317 HydrophobicContact CB-CZ 4.43Å; Q1251-F1317 HydrophobicContact CG-CB 4.41Å; Q1251-F1317 HydrophobicContact CG-CD1 3.31Å; Q1251-F1317 HydrophobicContact CG-CE1 3.59Å; Q1251-F1317 HydrophobicContact CG-CG 4Å; Q1251-F1317 HydrophobicContact CG-CZ 4.47Å; Y1303-F1317 HydrophobicContact CE2-CB 4.12Å; Y1303-F1317 WeakPolarHBondContact OH-CA 3.5Å; Y1303-F1317 PolarHBondContact OH-N 3.17Å; Y1303-F1317 PolarHBondContact OH-O 3.11Å; F1317-A1319 HydrophobicContact CD2-CB 4.43Å; F1317-A1319 WeakPolarHBondContact CE1-O 3.44Å; F1317-A1319 HydrophobicContact CE2-CB 3.91Å; F1317-A1319 WeakPolarHBondContact CE2-O 3.25Å; F1317-A1319 HydrophobicContact CZ-CB 4.47Å; F1317-A1319 WeakPolarHBondContact CZ-O 3.3Å; F1317-V1320 HydrophobicContact CD1-CB 4.21Å; F1317-V1320 HydrophobicContact CD1-CG1 4.37Å; F1317-V1320 HydrophobicContact CD1-CG2 3.74Å; F1317-V1320 HydrophobicContact CE1-CB 4.31Å; F1317-V1320 HydrophobicContact CE1-CG1 4.41Å; F1317-V1320 HydrophobicContact CE1-CG2 4.32Å; F1317-V1320 HydrophobicContact CG-CG2 4.27Å; F1317-V1320 WeakPolarHBondContact O-CG2 3.11Å; F1317-M1653 HydrophobicContact CE2-CE 4.12Å; F1317-M1653 HydrophobicContact CZ-CE 3.83Å | ||
| 1318 | I | 76.9 | Confident | 74.7 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -73.9 | -30.8 | -179.8 | -63 | 171.8 | 0 | 0 | 0 | 110.9 | Y1181 I1184 V1189 F1200 P1316 V1320 T1324 Y1374 | Y1181-I1318 HydrophobicContact CD2-CD1 4.41Å; Y1181-I1318 HydrophobicContact CE2-CD1 3.53Å; Y1181-I1318 HydrophobicContact CE2-CG1 3.91Å; I1184-I1318 HydrophobicContact CD1-CD1 4.48Å; V1189-I1318 HydrophobicContact CG1-CG2 4.09Å; V1189-I1318 HydrophobicContact CG2-CD1 4.48Å; F1200-I1318 HydrophobicContact CE2-CB 3.96Å; F1200-I1318 HydrophobicContact CE2-CD1 4.13Å; F1200-I1318 HydrophobicContact CE2-CG2 3.71Å; F1200-I1318 HydrophobicContact CZ-CG2 4.2Å; P1316-I1318 PolarHBondContact O-N 2.66Å; I1318-V1320 PolarHBondContact O-N 3.3Å; I1318-T1324 WeakPolarHBondContact O-CG2 3.23Å; I1318-Y1374 HydrophobicContact CG1-CD1 4.03Å; I1318-Y1374 HydrophobicContact CG1-CE1 4.45Å; I1318-Y1374 HydrophobicContact CG1-CG 4.2Å |
| 1319 | A | 67.8 | Low | 74.3 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 21% | 0.207 | 25% | 0.25 | C | C | . | . | trans | -100.4 | 52.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1317 G1321 | F1317-A1319 HydrophobicContact CD2-CB 4.43Å; F1317-A1319 WeakPolarHBondContact CE1-O 3.44Å; F1317-A1319 HydrophobicContact CE2-CB 3.91Å; F1317-A1319 WeakPolarHBondContact CE2-O 3.25Å; F1317-A1319 HydrophobicContact CZ-CB 4.47Å; F1317-A1319 WeakPolarHBondContact CZ-O 3.3Å; A1319-G1321 PolarHBondContact O-N 2.91Å | ||
| 1320 | V | 52.9 | Low | 73.9 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | trans | -68.8 | 57.6 | 178.4 | -157.5 | 0 | 0 | 0 | 0 | 113.4 | Y1299 F1300 Y1303 F1317 I1318 T1324 | Y1299-V1320 HydrophobicContact CE1-CG1 3.79Å; F1300-V1320 HydrophobicContact CD2-CG1 4.27Å; Y1303-V1320 HydrophobicContact CD1-CG2 3.94Å; Y1303-V1320 HydrophobicContact CE1-CG2 3.55Å; F1317-V1320 HydrophobicContact CD1-CB 4.21Å; F1317-V1320 HydrophobicContact CD1-CG1 4.37Å; F1317-V1320 HydrophobicContact CD1-CG2 3.74Å; F1317-V1320 HydrophobicContact CE1-CB 4.31Å; F1317-V1320 HydrophobicContact CE1-CG1 4.41Å; F1317-V1320 HydrophobicContact CE1-CG2 4.32Å; F1317-V1320 HydrophobicContact CG-CG2 4.27Å; F1317-V1320 WeakPolarHBondContact O-CG2 3.11Å; I1318-V1320 PolarHBondContact O-N 3.3Å; V1320-T1324 HydrophobicContact CB-CG2 3.69Å; V1320-T1324 HydrophobicContact CG2-CG2 4.07Å | ||
| 1321 | G | 44.8 | Very low | 73.5 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | 55.2 | -161.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1319 K1323 T1324 | A1319-G1321 PolarHBondContact O-N 2.91Å; G1321-K1323 PolarHBondContact O-N 3.43Å; G1321-T1324 PolarHBondContact O-N 3.45Å |
| 1322 | D | 44.4 | Very low | 73.3 | Confident | 132 Ų | 132 | 46.1 Ų | 46.1 | 71% | 0.706 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -62.6 | 1.8 | 174.9 | 24.8 | -64.1 | 0 | 0 | 0 | 114.5 | ||
| 1323 | K | 52.5 | Low | 73.4 | Confident | 81 Ų | 81 | 46.5 Ų | 46.5 | 35% | 0.352 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -108.7 | 0.5 | -176.8 | -67.7 | -164.8 | 176.4 | -169.8 | 0 | 115.9 | A1296 N1297 F1300 G1321 | A1296-K1323 PolarHBondContact O-NZ 3.36Å; N1297-K1323 PolarHBondContact OD1-NZ 2.96Å; F1300-K1323 HydrophobicContact CD2-CB 4.48Å; F1300-K1323 WeakPolarHBondContact CE2-O 2.98Å; F1300-K1323 WeakPolarHBondContact CZ-O 3.48Å; G1321-K1323 PolarHBondContact O-N 3.43Å |
| 1324 | T | 63.8 | Low | 73.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | trans | -56.1 | 142 | 175 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | I1318 V1320 G1321 L1326 I1327 H1328 | I1318-T1324 WeakPolarHBondContact O-CG2 3.23Å; V1320-T1324 HydrophobicContact CB-CG2 3.69Å; V1320-T1324 HydrophobicContact CG2-CG2 4.07Å; G1321-T1324 PolarHBondContact O-N 3.45Å; T1324-L1326 PolarHBondContact O-N 2.97Å; T1324-L1326 VanDerWaalsContact O-N 3.13Å; T1324-I1327 PolarHBondContact O-N 3.44Å; T1324-I1327 VanDerWaalsContact O-N 3.16Å; T1324-I1327 WeakPolarHBondContact OG1-CB 3.45Å; T1324-I1327 WeakPolarHBondContact OG1-CD1 3.1Å; T1324-I1327 VanDerWaalsContact OG1-CG1 3.23Å; T1324-I1327 WeakPolarHBondContact OG1-CG1 3.46Å; T1324-I1327 PolarHBondContact OG1-N 3.39Å; T1324-H1328 WeakPolarHBondContact O-CB 3.4Å; T1324-H1328 PolarHBondContact O-N 3.05Å | ||
| 1325 | Q | 71.2 | Confident | 73 | Confident | 76 Ų | 76 | 49.8 Ų | 49.8 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.9 | -28.2 | 176.2 | -89.2 | 179.2 | -11.5 | 0 | 0 | 112.4 | F1300 H1328 L1329 L1370 | F1300-Q1325 HydrophobicContact CZ-CG 4.24Å; Q1325-H1328 PolarHBondContact O-N 3.18Å; Q1325-L1329 VanDerWaalsContact O-CB 3.31Å; Q1325-L1329 WeakPolarHBondContact O-CB 3.5Å; Q1325-L1329 VanDerWaalsContact O-CG 3.23Å; Q1325-L1329 WeakPolarHBondContact O-CG 3.33Å; Q1325-L1329 PolarHBondContact O-N 3.48Å; Q1325-L1370 HydrophobicContact CB-CD1 4Å; Q1325-L1370 HydrophobicContact CB-CD2 3.72Å; Q1325-L1370 VanDerWaalsContact OE1-CD1 3.28Å |
| 1326 | L | 74.6 | Confident | 72.8 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -53.9 | 175.2 | -162.1 | 82.1 | 0 | 0 | 0 | 111.3 | V1189 T1324 H1328 L1329 E1330 L1367 L1370 V1371 | V1189-L1326 HydrophobicContact CG1-CD1 4.48Å; V1189-L1326 HydrophobicContact CG1-CD2 3.86Å; T1324-L1326 PolarHBondContact O-N 2.97Å; T1324-L1326 VanDerWaalsContact O-N 3.13Å; L1326-H1328 VanDerWaalsContact C-N 3.31Å; L1326-H1328 PolarHBondContact O-N 3.33Å; L1326-L1329 PolarHBondContact O-N 2.96Å; L1326-E1330 WeakPolarHBondContact O-CB 3.42Å; L1326-E1330 PolarHBondContact O-N 3.43Å; L1326-L1367 HydrophobicContact CD1-CD2 3.88Å; L1326-L1367 HydrophobicContact CG-CD2 4.45Å; L1326-L1370 HydrophobicContact CB-CD2 3.81Å; L1326-L1370 HydrophobicContact CD1-CD2 3.97Å; L1326-L1370 VanDerWaalsContact N-CD2 3.27Å; L1326-V1371 HydrophobicContact CD1-CG2 3.95Å |
| 1327 | I | 70.2 | Confident | 72.8 | Confident | 53 Ų | 53 | 56 Ų | 56 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 176.6 | -67.6 | 173.1 | 0 | 0 | 0 | 110.4 | T1324 E1330 L1331 | T1324-I1327 PolarHBondContact O-N 3.44Å; T1324-I1327 VanDerWaalsContact O-N 3.16Å; T1324-I1327 WeakPolarHBondContact OG1-CB 3.45Å; T1324-I1327 WeakPolarHBondContact OG1-CD1 3.1Å; T1324-I1327 VanDerWaalsContact OG1-CG1 3.23Å; T1324-I1327 WeakPolarHBondContact OG1-CG1 3.46Å; T1324-I1327 PolarHBondContact OG1-N 3.39Å; I1327-E1330 PolarHBondContact O-N 2.93Å; I1327-L1331 HydrophobicContact CG2-CD1 3.57Å; I1327-L1331 HydrophobicContact CG2-CG 4.06Å; I1327-L1331 WeakPolarHBondContact O-CB 3.27Å; I1327-L1331 WeakPolarHBondContact O-CG 3.42Å; I1327-L1331 PolarHBondContact O-N 2.95Å |
| 1328 | H | 73.5 | Confident | 72.5 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 39% | 0.394 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 179.1 | -151.4 | 93.4 | 0 | 0 | 0 | 112.4 | T1324 Q1325 L1326 E1330 K1332 | T1324-H1328 WeakPolarHBondContact O-CB 3.4Å; T1324-H1328 PolarHBondContact O-N 3.05Å; Q1325-H1328 PolarHBondContact O-N 3.18Å; L1326-H1328 VanDerWaalsContact C-N 3.31Å; L1326-H1328 PolarHBondContact O-N 3.33Å; H1328-E1330 VanDerWaalsContact C-N 3.34Å; H1328-K1332 PolarHBondContact CE1-NZ 2.98Å; H1328-K1332 VanDerWaalsContact CE1-NZ 3.32Å; H1328-K1332 WeakPolarHBondContact NE2-CD 3.34Å; H1328-K1332 WeakPolarHBondContact NE2-CE 3.35Å; H1328-K1332 PolarHBondContact NE2-NZ 3.08Å; H1328-K1332 WeakPolarHBondContact O-CB 3.39Å; H1328-K1332 PolarHBondContact O-N 3.16Å |
| 1329 | L | 77.9 | Confident | 72 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 173.2 | -76.3 | 168.3 | 0 | 0 | 0 | 111.1 | Q1325 L1326 H1333 W1362 K1363 Q1366 L1367 | Q1325-L1329 VanDerWaalsContact O-CB 3.31Å; Q1325-L1329 WeakPolarHBondContact O-CB 3.5Å; Q1325-L1329 VanDerWaalsContact O-CG 3.23Å; Q1325-L1329 WeakPolarHBondContact O-CG 3.33Å; Q1325-L1329 PolarHBondContact O-N 3.48Å; L1326-L1329 PolarHBondContact O-N 2.96Å; L1329-H1333 PolarHBondContact O-N 3.02Å; L1329-W1362 HydrophobicContact CD2-CH2 4.11Å; L1329-W1362 HydrophobicContact CD2-CZ3 4.32Å; L1329-K1363 WeakPolarHBondContact O-CE 3.34Å; L1329-Q1366 HydrophobicContact CD1-CB 3.83Å; L1329-Q1366 HydrophobicContact CD2-CB 3.89Å; L1329-Q1366 HydrophobicContact CD2-CG 4.48Å; L1329-L1367 HydrophobicContact CB-CD2 3.78Å; L1329-L1367 HydrophobicContact CB-CG 4.32Å; L1329-L1367 HydrophobicContact CD1-CD2 4.04Å; L1329-L1367 HydrophobicContact CD1-CG 4.39Å |
| 1330 | E | 77.8 | Confident | 71.7 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.5 | -38 | -174.1 | -162.9 | 65.3 | 167.8 | 0 | 0 | 113.2 | R1016 K1192 L1326 I1327 H1328 K1363 | R1016-E1330 IonicContact CZ-OE1 2.96Å; R1016-E1330 IonicContact CZ-OE2 3.07Å; R1016-E1330 IonicContact NE-OE1 2.76Å; R1016-E1330 IonicContact NH2-OE1 2.63Å; R1016-E1330 PolarHBondContact NH2-OE1 2.72Å; R1016-E1330 IonicContact NH2-OE2 3.35Å; R1016-E1330 PolarHBondContact NH2-OE2 3.05Å; K1192-E1330 WeakPolarHBondContact CD-OE1 3.16Å; K1192-E1330 WeakPolarHBondContact CE-OE1 3.41Å; K1192-E1330 HydrophobicContact CG-CG 4.29Å; K1192-E1330 WeakPolarHBondContact CG-OE1 3.45Å; K1192-E1330 IonicContact NZ-OE1 2.64Å; K1192-E1330 PolarHBondContact NZ-OE1 3.34Å; L1326-E1330 WeakPolarHBondContact O-CB 3.42Å; L1326-E1330 PolarHBondContact O-N 3.43Å; I1327-E1330 PolarHBondContact O-N 2.93Å; H1328-E1330 VanDerWaalsContact C-N 3.34Å; E1330-K1363 PolarHBondContact O-NZ 3.19Å; E1330-K1363 VanDerWaalsContact O-NZ 3.12Å; E1330-K1363 WeakPolarHBondContact OE2-CE 3.3Å; E1330-K1363 IonicContact OE2-NZ 3.64Å; E1330-K1363 PolarHBondContact OE2-NZ 2.86Å |
| 1331 | L | 77.2 | Confident | 71.8 | Confident | 143 Ų | 143 | 67.1 Ų | 67.1 | 75% | 0.749 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -85.2 | -39.6 | 179.7 | -64.9 | -179.3 | 0 | 0 | 0 | 114.4 | I1327 | I1327-L1331 HydrophobicContact CG2-CD1 3.57Å; I1327-L1331 HydrophobicContact CG2-CG 4.06Å; I1327-L1331 WeakPolarHBondContact O-CB 3.27Å; I1327-L1331 WeakPolarHBondContact O-CG 3.42Å; I1327-L1331 PolarHBondContact O-N 2.95Å |
| 1332 | K | 79.3 | Confident | 72.1 | Confident | 139 Ų | 139 | 68.2 Ų | 68.2 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -81.9 | -26.2 | -174.9 | -77.8 | -161.3 | 178.5 | 169.7 | 0 | 115 | H1328 | H1328-K1332 PolarHBondContact CE1-NZ 2.98Å; H1328-K1332 VanDerWaalsContact CE1-NZ 3.32Å; H1328-K1332 WeakPolarHBondContact NE2-CD 3.34Å; H1328-K1332 WeakPolarHBondContact NE2-CE 3.35Å; H1328-K1332 PolarHBondContact NE2-NZ 3.08Å; H1328-K1332 WeakPolarHBondContact O-CB 3.39Å; H1328-K1332 PolarHBondContact O-N 3.16Å |
| 1333 | H | 85.4 | Confident | 72.4 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 30% | 0.296 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -113.6 | 126.7 | -172.8 | -62.4 | -76.6 | 0 | 0 | 0 | 110.1 | L1329 W1362 K1363 | L1329-H1333 PolarHBondContact O-N 3.02Å; H1333-W1362 HydrophobicContact CB-CZ3 4.45Å; H1333-W1362 AromaticContact CD2-CZ3 3.84Å; H1333-W1362 AromaticContact CE1-CH2 3.93Å; H1333-W1362 AromaticContact CE1-CZ3 3.73Å; H1333-W1362 AromaticContact CG-CZ3 3.73Å; H1333-W1362 AromaticContact ND1-CZ3 3.67Å; H1333-W1362 AromaticContact NE2-CH2 3.84Å; H1333-W1362 AromaticContact NE2-CZ3 3.85Å; H1333-K1363 HydrophobicContact CB-CB 4.46Å; H1333-K1363 HydrophobicContact CB-CD 3.91Å; H1333-K1363 HydrophobicContact CB-CG 4.27Å; H1333-K1363 WeakPolarHBondContact O-CD 3.38Å; H1333-K1363 WeakPolarHBondContact O-CE 3.48Å; H1333-K1363 PolarHBondContact O-NZ 2.93Å |
| 1334 | P | 87 | Confident | 72 | Confident | 82 Ų | 82 | 72.4 Ų | 72.4 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | trans | -70.1 | 155.9 | 177 | 30.9 | -36.1 | 0 | 0 | 0 | 110.7 | W1336 N1360 | P1334-W1336 WeakPolarHBondContact CB-O 3.38Å; P1334-W1336 VanDerWaalsContact CG-O 3.28Å; P1334-W1336 WeakPolarHBondContact CG-O 3.22Å; P1334-W1336 PolarHBondContact O-N 3.46Å; P1334-N1360 VanDerWaalsContact O-CB 3.3Å; P1334-N1360 WeakPolarHBondContact O-CB 3.46Å; P1334-N1360 PolarHBondContact O-ND2 2.91Å | ||
| 1335 | D | 86.3 | Confident | 70.9 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 16% | 0.16 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -75.3 | -17 | 176.1 | -65.6 | -25.6 | 0 | 0 | 0 | 112.8 | R1016 K1192 N1360 K1363 | R1016-D1335 IonicContact CZ-OD1 3.79Å; R1016-D1335 VanDerWaalsContact CZ-OD1 3.22Å; R1016-D1335 IonicContact CZ-OD2 2.71Å; R1016-D1335 VanDerWaalsContact NH1-CG 3.3Å; R1016-D1335 IonicContact NH1-OD1 4Å; R1016-D1335 PolarHBondContact NH1-OD1 2.96Å; R1016-D1335 IonicContact NH1-OD2 2.62Å; R1016-D1335 VanDerWaalsContact NH2-CG 3.26Å; R1016-D1335 IonicContact NH2-OD1 3.43Å; R1016-D1335 PolarHBondContact NH2-OD1 3.26Å; R1016-D1335 IonicContact NH2-OD2 3.45Å; R1016-D1335 PolarHBondContact NH2-OD2 3.47Å; K1192-D1335 IonicContact NZ-OD2 2.73Å; K1192-D1335 PolarHBondContact NZ-OD2 3.32Å; D1335-N1360 WeakPolarHBondContact O-CB 3.35Å; D1335-N1360 PolarHBondContact O-N 3.31Å; D1335-K1363 WeakPolarHBondContact OD1-CD 3.28Å; D1335-K1363 VanDerWaalsContact OD1-CE 3.31Å; D1335-K1363 WeakPolarHBondContact OD1-CE 3.37Å; D1335-K1363 IonicContact OD1-NZ 2.85Å; D1335-K1363 PolarHBondContact OD1-NZ 3.19Å |
| 1336 | W | 90.3 | Very high | 69.1 | Low | 102 Ų | 102 | 78.2 Ų | 78.2 | 39% | 0.386 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.5 | 179.9 | -56.6 | 91.1 | 0 | 0 | 0 | 110.8 | I989 P1334 C1357 L1358 V1359 | I989-W1336 HydrophobicContact CD1-CH2 4.41Å; P1334-W1336 WeakPolarHBondContact CB-O 3.38Å; P1334-W1336 VanDerWaalsContact CG-O 3.28Å; P1334-W1336 WeakPolarHBondContact CG-O 3.22Å; P1334-W1336 PolarHBondContact O-N 3.46Å; W1336-C1357 HydrophobicContact CE3-CB 4.35Å; W1336-C1357 VanDerWaalsContact CE3-SG 3.57Å; W1336-L1358 CarbonylContact C-O 3.49Å; W1336-L1358 VanDerWaalsContact CA-O 3.23Å; W1336-L1358 WeakPolarHBondContact CA-O 3.38Å; W1336-V1359 HydrophobicContact CE3-CG2 4.07Å; W1336-V1359 HydrophobicContact CH2-CG2 3.98Å; W1336-V1359 HydrophobicContact CZ3-CG2 3.58Å |
| 1337 | V | 88.5 | Confident | 67.3 | Low | 32 Ų | 32 | 83.2 Ų | 83.2 | 19% | 0.194 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.9 | 177 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | A986 L1358 N1360 | A986-V1337 HydrophobicContact CB-CG2 4.32Å; V1337-L1358 PolarHBondContact N-O 3.25Å; V1337-L1358 WeakPolarHBondContact O-CB 3.35Å; V1337-L1358 PolarHBondContact O-N 3.46Å; V1337-N1360 HydrophobicContact CG2-CB 3.84Å |
| 1338 | N | 80 | Confident | 65.7 | Low | 84 Ų | 84 | 86 Ų | 86 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.5 | 173.7 | -70.6 | -4.2 | 0 | 0 | 0 | 109.3 | S1340 T1341 | N1338-S1340 PolarHBondContact O-N 3.4Å; N1338-S1340 VanDerWaalsContact O-N 3.1Å; N1338-T1341 HydrophobicContact CB-CG2 4.23Å; N1338-T1341 PolarHBondContact O-N 3.47Å; N1338-T1341 PolarHBondContact O-OG1 2.98Å |
| 1339 | A | 67.7 | Low | 63.8 | Low | 16 Ų | 16 | 89.6 Ų | 89.6 | 13% | 0.132 | 50% | 0.498 | C | S | . | . | G | 310 helix | trans | -55 | -31.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1341 G1356 L1358 | A1339-T1341 VanDerWaalsContact C-N 3.27Å; A1339-T1341 PolarHBondContact O-N 3.1Å; A1339-G1356 PolarHBondContact N-O 3.36Å; A1339-L1358 HydrophobicContact CB-CD1 4.44Å |
| 1340 | S | 60.8 | Low | 61.8 | Low | 93 Ų | 93 | 94.5 Ų | 94.5 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -68.9 | -14 | 177.4 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | N1338 L1342 | N1338-S1340 PolarHBondContact O-N 3.4Å; N1338-S1340 VanDerWaalsContact O-N 3.1Å; S1340-L1342 VanDerWaalsContact C-N 3.29Å; S1340-L1342 PolarHBondContact O-N 3.06Å |
| 1341 | T | 54.8 | Low | 59.8 | Low | 102 Ų | 102 | 102.3 Ų | 102.3 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -88.6 | 11.8 | -179.1 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | N1338 A1339 | N1338-T1341 HydrophobicContact CB-CG2 4.23Å; N1338-T1341 PolarHBondContact O-N 3.47Å; N1338-T1341 PolarHBondContact O-OG1 2.98Å; A1339-T1341 VanDerWaalsContact C-N 3.27Å; A1339-T1341 PolarHBondContact O-N 3.1Å |
| 1342 | L | 52 | Low | 57.8 | Low | 61 Ų | 61 | 101.8 Ų | 101.8 | 32% | 0.319 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -101.6 | 143.4 | -176.9 | -68 | 161.5 | 0 | 0 | 0 | 112 | I969 S1340 F1344 S1345 | I969-L1342 HydrophobicContact CD1-CD1 3.35Å; S1340-L1342 VanDerWaalsContact C-N 3.29Å; S1340-L1342 PolarHBondContact O-N 3.06Å; L1342-F1344 PolarHBondContact O-N 2.65Å; L1342-S1345 PolarHBondContact O-N 2.65Å |
| 1343 | P | 49.4 | Very low | 55.7 | Low | 115 Ų | 115 | 100.8 Ų | 100.8 | 75% | 0.747 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 5.6 | -168.5 | -23.9 | 35.1 | 0 | 0 | 0 | 117.9 | ||
| 1344 | F | 44.9 | Very low | 53.6 | Low | 186 Ų | 186 | 105.6 Ų | 105.6 | 82% | 0.816 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 6.9 | -170.6 | -61.9 | -72.3 | 0 | 0 | 0 | 114.2 | L1342 T1346 | L1342-F1344 PolarHBondContact O-N 2.65Å; F1344-T1346 PolarHBondContact O-N 2.76Å; F1344-T1346 VanDerWaalsContact O-N 3.08Å |
| 1345 | S | 39.7 | Very low | 51.8 | Low | 65 Ų | 65 | 105.9 Ų | 105.9 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | trans | -85 | 69.3 | -177.6 | -174.8 | 0 | 0 | 0 | 0 | 112.9 | L1342 V1347 | L1342-S1345 PolarHBondContact O-N 2.65Å; S1345-V1347 PolarHBondContact O-N 2.73Å; S1345-V1347 VanDerWaalsContact O-N 3.08Å | ||
| 1346 | T | 33.5 | Very low | 50.4 | Low | 137 Ų | 137 | 106 Ų | 106 | 84% | 0.84 | 62% | 0.615 | S | S | * | * | trans | -81.8 | 75.3 | 175.1 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | F1344 | F1344-T1346 PolarHBondContact O-N 2.76Å; F1344-T1346 VanDerWaalsContact O-N 3.08Å | ||
| 1347 | V | 37.7 | Very low | 49.9 | Very low | 118 Ų | 118 | 103.8 Ų | 103.8 | 72% | 0.715 | 61% | 0.614 | S | S | * | * | trans | -136.7 | 128.3 | 168.3 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | S1345 | S1345-V1347 PolarHBondContact O-N 2.73Å; S1345-V1347 VanDerWaalsContact O-N 3.08Å | ||
| 1348 | P | 36.7 | Very low | 50.2 | Low | 110 Ų | 110 | 102.3 Ų | 102.3 | 71% | 0.714 | 61% | 0.605 | S | S | * | * | trans | -74.7 | 157 | 179.5 | 31.6 | -35.6 | 0 | 0 | 0 | 112.5 | T1350 | P1348-T1350 PolarHBondContact O-N 3.37Š| ||
| 1349 | D | 33.6 | Very low | 50.9 | Low | 162 Ų | 162 | 98.3 Ų | 98.3 | 87% | 0.866 | 58% | 0.583 | S | S | * | * | trans | -63.3 | 115.7 | -168.5 | -56.3 | -82.3 | 0 | 0 | 0 | 115 | ||||
| 1350 | T | 36.1 | Very low | 52.1 | Low | 125 Ų | 125 | 98.1 Ų | 98.1 | 77% | 0.767 | 58% | 0.58 | S | S | * | * | trans | -105.8 | 122.6 | 156.2 | 51.1 | 0 | 0 | 0 | 0 | 109.4 | P1348 D1352 | P1348-T1350 PolarHBondContact O-N 3.37Å; T1350-D1352 PolarHBondContact O-N 2.77Å | ||
| 1351 | Q | 34.1 | Very low | 53.7 | Low | 182 Ų | 182 | 93.7 Ų | 93.7 | 85% | 0.85 | 55% | 0.549 | S | S | * | . | trans | -79.6 | 70.6 | -166.8 | -64.5 | -178.5 | -8.6 | 0 | 0 | 114.3 | ||||
| 1352 | D | 35.9 | Very low | 55.6 | Low | 133 Ų | 133 | 92 Ų | 92 | 71% | 0.711 | 53% | 0.531 | S | S | * | . | trans | -104.9 | 84.3 | 165.4 | -88.2 | -46.9 | 0 | 0 | 0 | 110.8 | T1350 N1354 S1355 | T1350-D1352 PolarHBondContact O-N 2.77Å; D1352-N1354 PolarHBondContact O-N 2.98Å; D1352-S1355 PolarHBondContact O-OG 2.69Å | ||
| 1353 | S | 35.3 | Very low | 57.5 | Low | 118 Ų | 118 | 89.2 Ų | 89.2 | 83% | 0.825 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 6.4 | -160.2 | -44.3 | 0 | 0 | 0 | 0 | 118.3 | ||
| 1354 | N | 42.4 | Very low | 59.5 | Low | 165 Ų | 165 | 83.7 Ų | 83.7 | 88% | 0.882 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | -2.4 | -168 | -93.7 | -9.2 | 0 | 0 | 0 | 115.8 | D1352 | D1352-N1354 PolarHBondContact O-N 2.98Š|
| 1355 | S | 48.2 | Very low | 61.8 | Low | 87 Ų | 87 | 76.3 Ų | 76.3 | 61% | 0.608 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -101.8 | -17.1 | -167.3 | 59 | 0 | 0 | 0 | 0 | 116.3 | D1352 C1357 | D1352-S1355 PolarHBondContact O-OG 2.69Å; S1355-C1357 PolarHBondContact O-N 3Å |
| 1356 | G | 57.9 | Low | 64.2 | Low | 34 Ų | 34 | 75.3 Ų | 75.3 | 35% | 0.351 | 44% | 0.436 | S | S | . | . | trans | -85.8 | 10.1 | -165.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | A1339 | A1339-G1356 PolarHBondContact N-O 3.36Š| ||
| 1357 | C | 79.7 | Confident | 66.8 | Low | 55 Ų | 55 | 69.3 Ų | 69.3 | 37% | 0.372 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 109.4 | -167.2 | -153.4 | 0 | 0 | 0 | 0 | 112.3 | W1336 S1355 | W1336-C1357 HydrophobicContact CE3-CB 4.35Å; W1336-C1357 VanDerWaalsContact CE3-SG 3.57Å; S1355-C1357 PolarHBondContact O-N 3Å |
| 1358 | L | 93.1 | Very high | 69.3 | Low | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.9 | -177.7 | -57.9 | 175.6 | 0 | 0 | 0 | 111.3 | I969 A986 T988 W1336 V1337 A1339 N1360 | I969-L1358 HydrophobicContact CD1-CD1 3.41Å; I969-L1358 VanDerWaalsContact CD1-CD1 3.41Å; I969-L1358 HydrophobicContact CG1-CD1 3.86Å; A986-L1358 HydrophobicContact CB-CB 4.05Å; A986-L1358 HydrophobicContact CB-CD1 4.44Å; T988-L1358 HydrophobicContact CG2-CD2 3.82Å; W1336-L1358 CarbonylContact C-O 3.49Å; W1336-L1358 VanDerWaalsContact CA-O 3.23Å; W1336-L1358 WeakPolarHBondContact CA-O 3.38Å; V1337-L1358 PolarHBondContact N-O 3.25Å; V1337-L1358 WeakPolarHBondContact O-CB 3.35Å; V1337-L1358 PolarHBondContact O-N 3.46Å; A1339-L1358 HydrophobicContact CB-CD1 4.44Å; L1358-N1360 PolarHBondContact O-N 3.38Å |
| 1359 | V | 94.5 | Very high | 71.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 130.2 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | A986 A987 I989 L992 Y1017 W1336 F1361 | A986-V1359 CarbonylContact C-O 3.59Å; A986-V1359 WeakPolarHBondContact CA-O 3.43Å; A986-V1359 WeakPolarHBondContact CB-O 3.38Å; A987-V1359 PolarHBondContact N-O 3.11Å; A987-V1359 VanDerWaalsContact N-O 3.1Å; A987-V1359 WeakPolarHBondContact O-CB 3.47Å; A987-V1359 PolarHBondContact O-N 2.96Å; I989-V1359 HydrophobicContact CG1-CG2 3.93Å; L992-V1359 HydrophobicContact CD1-CB 4.04Å; L992-V1359 HydrophobicContact CD1-CG1 4.09Å; L992-V1359 HydrophobicContact CD1-CG2 4.39Å; Y1017-V1359 HydrophobicContact CD1-CG1 3.51Å; Y1017-V1359 HydrophobicContact CD1-CG2 4.5Å; Y1017-V1359 HydrophobicContact CD2-CG1 4.08Å; Y1017-V1359 HydrophobicContact CD2-CG2 3.87Å; Y1017-V1359 HydrophobicContact CE1-CG1 3.6Å; Y1017-V1359 HydrophobicContact CE2-CG1 4.13Å; Y1017-V1359 HydrophobicContact CE2-CG2 4.44Å; Y1017-V1359 HydrophobicContact CG-CG1 3.76Å; Y1017-V1359 HydrophobicContact CG-CG2 3.89Å; W1336-V1359 HydrophobicContact CE3-CG2 4.07Å; W1336-V1359 HydrophobicContact CH2-CG2 3.98Å; W1336-V1359 HydrophobicContact CZ3-CG2 3.58Å; V1359-F1361 VanDerWaalsContact C-N 3.28Å; V1359-F1361 PolarHBondContact O-N 3.34Å |
| 1360 | N | 94.2 | Very high | 74.3 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 6% | 0.064 | 32% | 0.315 | C | S | . | . | trans | -74.6 | 75.1 | 177.4 | -171.5 | -7.5 | 0 | 0 | 0 | 111.4 | P1334 D1335 V1337 L1358 W1362 K1363 C1364 | P1334-N1360 VanDerWaalsContact O-CB 3.3Å; P1334-N1360 WeakPolarHBondContact O-CB 3.46Å; P1334-N1360 PolarHBondContact O-ND2 2.91Å; D1335-N1360 WeakPolarHBondContact O-CB 3.35Å; D1335-N1360 PolarHBondContact O-N 3.31Å; V1337-N1360 HydrophobicContact CG2-CB 3.84Å; L1358-N1360 PolarHBondContact O-N 3.38Å; N1360-W1362 VanDerWaalsContact C-N 3.25Å; N1360-W1362 PolarHBondContact O-N 2.85Å; N1360-K1363 HydrophobicContact CB-CB 4.2Å; N1360-K1363 WeakPolarHBondContact O-CB 3.47Å; N1360-K1363 PolarHBondContact O-N 3.16Å; N1360-K1363 VanDerWaalsContact O-N 3.13Å; N1360-K1363 PolarHBondContact OD1-N 3.17Å; N1360-C1364 PolarHBondContact O-N 2.86Å | ||
| 1361 | F | 94.7 | Very high | 76.8 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.2 | -25.1 | -174.7 | -157.8 | -93.5 | 0 | 0 | 0 | 113.5 | I984 R985 L992 M996 T1006 A1009 F1010 V1359 C1364 R1365 | I984-F1361 HydrophobicContact CB-CD1 4.45Å; I984-F1361 HydrophobicContact CG2-CB 4.21Å; R985-F1361 PolarHBondContact O-N 2.97Å; R985-F1361 VanDerWaalsContact O-N 3.16Å; L992-F1361 HydrophobicContact CD1-CD2 3.79Å; L992-F1361 HydrophobicContact CD1-CE2 4.39Å; L992-F1361 HydrophobicContact CD2-CB 4.01Å; L992-F1361 HydrophobicContact CD2-CD2 3.5Å; L992-F1361 HydrophobicContact CD2-CE2 4.13Å; L992-F1361 HydrophobicContact CD2-CG 3.72Å; L992-F1361 HydrophobicContact CG-CD2 4.32Å; M996-F1361 HydrophobicContact CE-CZ 4.45Å; T1006-F1361 HydrophobicContact CG2-CD1 4.45Å; T1006-F1361 HydrophobicContact CG2-CE1 3.55Å; T1006-F1361 HydrophobicContact CG2-CZ 3.96Å; A1009-F1361 HydrophobicContact CB-CE1 4.33Å; A1009-F1361 HydrophobicContact CB-CZ 4.08Å; F1010-F1361 HydrophobicContact CB-CE2 4.15Å; F1010-F1361 HydrophobicContact CB-CZ 4.12Å; F1010-F1361 AromaticContact CD2-CE2 3.89Å; F1010-F1361 HydrophobicContact CD2-CE2 3.89Å; F1010-F1361 HydrophobicContact CG-CE2 4.48Å; V1359-F1361 VanDerWaalsContact C-N 3.28Å; V1359-F1361 PolarHBondContact O-N 3.34Å; F1361-C1364 HydrophobicContact CD2-CB 4.2Å; F1361-C1364 HydrophobicContact CE2-CB 4.4Å; F1361-C1364 WeakPolarHBondContact O-CB 3.43Å; F1361-C1364 PolarHBondContact O-N 3.1Å; F1361-R1365 WeakPolarHBondContact O-CB 3.14Å; F1361-R1365 PolarHBondContact O-N 3.33Å |
| 1362 | W | 93.9 | Very high | 79.4 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.6 | -50 | 168.9 | 174.4 | 84.4 | 0 | 0 | 0 | 111.3 | R985 L1329 H1333 N1360 C1364 R1365 Q1366 | R985-W1362 HydrophobicContact CG-CB 4.17Å; R985-W1362 WeakPolarHBondContact O-CB 3.09Å; R985-W1362 PolarHBondContact O-N 2.95Å; L1329-W1362 HydrophobicContact CD2-CH2 4.11Å; L1329-W1362 HydrophobicContact CD2-CZ3 4.32Å; H1333-W1362 HydrophobicContact CB-CZ3 4.45Å; H1333-W1362 AromaticContact CD2-CZ3 3.84Å; H1333-W1362 AromaticContact CE1-CH2 3.93Å; H1333-W1362 AromaticContact CE1-CZ3 3.73Å; H1333-W1362 AromaticContact CG-CZ3 3.73Å; H1333-W1362 AromaticContact ND1-CZ3 3.67Å; H1333-W1362 AromaticContact NE2-CH2 3.84Å; H1333-W1362 AromaticContact NE2-CZ3 3.85Å; N1360-W1362 VanDerWaalsContact C-N 3.25Å; N1360-W1362 PolarHBondContact O-N 2.85Å; W1362-C1364 VanDerWaalsContact C-N 3.31Å; W1362-C1364 PolarHBondContact O-N 2.87Å; W1362-R1365 PolarHBondContact O-N 2.97Å; W1362-Q1366 HydrophobicContact CD2-CG 4.17Å; W1362-Q1366 HydrophobicContact CH2-CG 4.28Å; W1362-Q1366 HydrophobicContact CZ2-CG 3.74Å; W1362-Q1366 WeakPolarHBondContact O-CG 3.5Å; W1362-Q1366 PolarHBondContact O-N 3Å |
| 1363 | K | 92.1 | Very high | 81.9 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 175.5 | 177.6 | -175.6 | 178.1 | 176.8 | 0 | 110.9 | L1329 E1330 H1333 D1335 N1360 R1365 Q1366 L1367 | L1329-K1363 WeakPolarHBondContact O-CE 3.34Å; E1330-K1363 PolarHBondContact O-NZ 3.19Å; E1330-K1363 VanDerWaalsContact O-NZ 3.12Å; E1330-K1363 WeakPolarHBondContact OE2-CE 3.3Å; E1330-K1363 IonicContact OE2-NZ 3.64Å; E1330-K1363 PolarHBondContact OE2-NZ 2.86Å; H1333-K1363 HydrophobicContact CB-CB 4.46Å; H1333-K1363 HydrophobicContact CB-CD 3.91Å; H1333-K1363 HydrophobicContact CB-CG 4.27Å; H1333-K1363 WeakPolarHBondContact O-CD 3.38Å; H1333-K1363 WeakPolarHBondContact O-CE 3.48Å; H1333-K1363 PolarHBondContact O-NZ 2.93Å; D1335-K1363 WeakPolarHBondContact OD1-CD 3.28Å; D1335-K1363 VanDerWaalsContact OD1-CE 3.31Å; D1335-K1363 WeakPolarHBondContact OD1-CE 3.37Å; D1335-K1363 IonicContact OD1-NZ 2.85Å; D1335-K1363 PolarHBondContact OD1-NZ 3.19Å; N1360-K1363 HydrophobicContact CB-CB 4.2Å; N1360-K1363 WeakPolarHBondContact O-CB 3.47Å; N1360-K1363 PolarHBondContact O-N 3.16Å; N1360-K1363 VanDerWaalsContact O-N 3.13Å; N1360-K1363 PolarHBondContact OD1-N 3.17Å; K1363-R1365 VanDerWaalsContact C-N 3.33Å; K1363-R1365 PolarHBondContact O-N 3.41Å; K1363-Q1366 PolarHBondContact O-N 3.3Å; K1363-L1367 HydrophobicContact CG-CD1 4.01Å; K1363-L1367 HydrophobicContact CG-CG 4.4Å; K1363-L1367 WeakPolarHBondContact O-CB 3.38Å; K1363-L1367 WeakPolarHBondContact O-CG 3.22Å; K1363-L1367 PolarHBondContact O-N 2.91Å |
| 1364 | C | 91.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 177.3 | -72 | 0 | 0 | 0 | 0 | 112.8 | T1013 N1360 F1361 W1362 A1368 | T1013-C1364 HydrophobicContact CG2-CB 4.1Å; T1013-C1364 WeakPolarHBondContact CG2-O 3.34Å; T1013-C1364 WeakPolarHBondContact OG1-CB 3.47Å; N1360-C1364 PolarHBondContact O-N 2.86Å; F1361-C1364 HydrophobicContact CD2-CB 4.2Å; F1361-C1364 HydrophobicContact CE2-CB 4.4Å; F1361-C1364 WeakPolarHBondContact O-CB 3.43Å; F1361-C1364 PolarHBondContact O-N 3.1Å; W1362-C1364 VanDerWaalsContact C-N 3.31Å; W1362-C1364 PolarHBondContact O-N 2.87Å; C1364-A1368 WeakPolarHBondContact O-CB 3.32Å; C1364-A1368 PolarHBondContact O-N 2.64Å |
| 1365 | R | 92.6 | Very high | 86.5 | Confident | 30 Ų | 30 | 30.4 Ų | 30.4 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.2 | -47.8 | 176 | -167.7 | -179.9 | 69.7 | -127.8 | 8.8 | 111.7 | E971 I984 A1009 F1361 W1362 K1363 L1367 A1368 E1369 | E971-R1365 VanDerWaalsContact CD-NH2 3.32Å; E971-R1365 IonicContact OE1-CZ 2.64Å; E971-R1365 IonicContact OE1-NH1 3.45Å; E971-R1365 PolarHBondContact OE1-NH1 3.32Å; E971-R1365 IonicContact OE1-NH2 2.66Å; E971-R1365 PolarHBondContact OE1-NH2 2.96Å; E971-R1365 IonicContact OE2-CZ 3.53Å; E971-R1365 IonicContact OE2-NH1 2.62Å; E971-R1365 IonicContact OE2-NH2 3.71Å; E971-R1365 PolarHBondContact OE2-NH2 2.84Å; I984-R1365 PolarHBondContact O-NH1 2.92Å; A1009-R1365 HydrophobicContact CB-CB 4.49Å; A1009-R1365 HydrophobicContact CB-CG 4.41Å; F1361-R1365 WeakPolarHBondContact O-CB 3.14Å; F1361-R1365 PolarHBondContact O-N 3.33Å; W1362-R1365 PolarHBondContact O-N 2.97Å; K1363-R1365 VanDerWaalsContact C-N 3.33Å; K1363-R1365 PolarHBondContact O-N 3.41Å; R1365-L1367 VanDerWaalsContact C-N 3.34Å; R1365-L1367 PolarHBondContact O-N 2.93Å; R1365-A1368 PolarHBondContact O-N 3.2Å; R1365-E1369 IonicContact NE-OE1 3.82Å; R1365-E1369 WeakPolarHBondContact O-CB 3.43Å; R1365-E1369 WeakPolarHBondContact O-CG 3.38Å; R1365-E1369 PolarHBondContact O-N 3.22Å |
| 1366 | Q | 90.7 | Very high | 88.5 | Confident | 45 Ų | 45 | 28 Ų | 28 | 21% | 0.21 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -37.1 | 178.1 | -60.6 | -37.5 | 130.5 | 0 | 0 | 112.9 | L1329 W1362 K1363 E1369 L1370 | L1329-Q1366 HydrophobicContact CD1-CB 3.83Å; L1329-Q1366 HydrophobicContact CD2-CB 3.89Å; L1329-Q1366 HydrophobicContact CD2-CG 4.48Å; W1362-Q1366 HydrophobicContact CD2-CG 4.17Å; W1362-Q1366 HydrophobicContact CH2-CG 4.28Å; W1362-Q1366 HydrophobicContact CZ2-CG 3.74Å; W1362-Q1366 WeakPolarHBondContact O-CG 3.5Å; W1362-Q1366 PolarHBondContact O-N 3Å; K1363-Q1366 PolarHBondContact O-N 3.3Å; Q1366-E1369 PolarHBondContact NE2-OE2 2.81Å; Q1366-L1370 WeakPolarHBondContact O-CB 3.33Å; Q1366-L1370 PolarHBondContact O-N 3.27Å; Q1366-L1370 VanDerWaalsContact O-N 3.1Å |
| 1367 | L | 88 | Confident | 90.1 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 6% | 0.058 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 172.8 | -74.5 | 172.7 | 0 | 0 | 0 | 111.7 | L1326 L1329 K1363 R1365 L1370 V1371 | L1326-L1367 HydrophobicContact CD1-CD2 3.88Å; L1326-L1367 HydrophobicContact CG-CD2 4.45Å; L1329-L1367 HydrophobicContact CB-CD2 3.78Å; L1329-L1367 HydrophobicContact CB-CG 4.32Å; L1329-L1367 HydrophobicContact CD1-CD2 4.04Å; L1329-L1367 HydrophobicContact CD1-CG 4.39Å; K1363-L1367 HydrophobicContact CG-CD1 4.01Å; K1363-L1367 HydrophobicContact CG-CG 4.4Å; K1363-L1367 WeakPolarHBondContact O-CB 3.38Å; K1363-L1367 WeakPolarHBondContact O-CG 3.22Å; K1363-L1367 PolarHBondContact O-N 2.91Å; R1365-L1367 VanDerWaalsContact C-N 3.34Å; R1365-L1367 PolarHBondContact O-N 2.93Å; L1367-L1370 PolarHBondContact O-N 2.95Å; L1367-V1371 WeakPolarHBondContact O-CG2 3.49Å; L1367-V1371 PolarHBondContact O-N 3.46Å |
| 1368 | A | 90 | Very high | 90.6 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1009 L1012 T1013 C1364 R1365 L1370 V1371 E1372 | A1009-A1368 HydrophobicContact CB-CB 3.75Å; L1012-A1368 HydrophobicContact CB-CB 4.2Å; L1012-A1368 HydrophobicContact CD2-CB 4.28Å; T1013-A1368 HydrophobicContact CG2-CB 4.36Å; C1364-A1368 WeakPolarHBondContact O-CB 3.32Å; C1364-A1368 PolarHBondContact O-N 2.64Å; R1365-A1368 PolarHBondContact O-N 3.2Å; A1368-L1370 VanDerWaalsContact C-N 3.3Å; A1368-L1370 PolarHBondContact O-N 3.12Å; A1368-V1371 PolarHBondContact O-N 3.39Å; A1368-E1372 WeakPolarHBondContact O-CB 3.38Å; A1368-E1372 WeakPolarHBondContact O-CG 3.46Å; A1368-E1372 PolarHBondContact O-N 3.45Å |
| 1369 | E | 89.5 | Confident | 90.3 | Very high | 96 Ų | 96 | 33.9 Ų | 33.9 | 45% | 0.449 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.9 | -41.8 | 173.8 | -74.2 | 172.3 | -178.7 | 0 | 0 | 111.5 | R1365 Q1366 Y1373 | R1365-E1369 IonicContact NE-OE1 3.82Å; R1365-E1369 WeakPolarHBondContact O-CB 3.43Å; R1365-E1369 WeakPolarHBondContact O-CG 3.38Å; R1365-E1369 PolarHBondContact O-N 3.22Å; Q1366-E1369 PolarHBondContact NE2-OE2 2.81Å; E1369-Y1373 VanDerWaalsContact O-CB 3.26Å; E1369-Y1373 WeakPolarHBondContact O-CB 3.49Å; E1369-Y1373 PolarHBondContact O-N 3.17Å |
| 1370 | L | 86.5 | Confident | 89.9 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70 | -40.6 | 179.4 | -155.8 | 79.6 | 0 | 0 | 0 | 112.6 | Q1325 L1326 Q1366 L1367 A1368 Y1373 Y1374 | Q1325-L1370 HydrophobicContact CB-CD1 4Å; Q1325-L1370 HydrophobicContact CB-CD2 3.72Å; Q1325-L1370 VanDerWaalsContact OE1-CD1 3.28Å; L1326-L1370 HydrophobicContact CB-CD2 3.81Å; L1326-L1370 HydrophobicContact CD1-CD2 3.97Å; L1326-L1370 VanDerWaalsContact N-CD2 3.27Å; Q1366-L1370 WeakPolarHBondContact O-CB 3.33Å; Q1366-L1370 PolarHBondContact O-N 3.27Å; Q1366-L1370 VanDerWaalsContact O-N 3.1Å; L1367-L1370 PolarHBondContact O-N 2.95Å; A1368-L1370 VanDerWaalsContact C-N 3.3Å; A1368-L1370 PolarHBondContact O-N 3.12Å; L1370-Y1373 PolarHBondContact O-N 3.35Å; L1370-Y1374 HydrophobicContact CD1-CE2 4.49Å; L1370-Y1374 HydrophobicContact CD2-CE2 3.91Å; L1370-Y1374 HydrophobicContact CG-CD2 4.16Å; L1370-Y1374 HydrophobicContact CG-CE2 3.79Å; L1370-Y1374 WeakPolarHBondContact O-CD2 3.4Å; L1370-Y1374 PolarHBondContact O-N 3.18Å |
| 1371 | V | 87.5 | Confident | 89.7 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.3 | -43.2 | 177.7 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | L1012 F1186 V1189 L1326 L1367 A1368 Y1373 Y1374 L1375 | L1012-V1371 HydrophobicContact CD2-CB 4.08Å; L1012-V1371 HydrophobicContact CD2-CG1 3.88Å; F1186-V1371 HydrophobicContact CB-CG1 3.78Å; V1189-V1371 HydrophobicContact CB-CG1 4.33Å; V1189-V1371 HydrophobicContact CB-CG2 4.19Å; V1189-V1371 HydrophobicContact CG1-CG2 4.09Å; V1189-V1371 WeakPolarHBondContact O-CG2 3.36Å; L1326-V1371 HydrophobicContact CD1-CG2 3.95Å; L1367-V1371 WeakPolarHBondContact O-CG2 3.49Å; L1367-V1371 PolarHBondContact O-N 3.46Å; A1368-V1371 PolarHBondContact O-N 3.39Å; V1371-Y1373 VanDerWaalsContact C-N 3.27Å; V1371-Y1373 PolarHBondContact O-N 3.08Å; V1371-Y1374 PolarHBondContact O-N 2.85Å; V1371-L1375 HydrophobicContact CG1-CD1 3.95Å; V1371-L1375 HydrophobicContact CG1-CG 4.36Å; V1371-L1375 WeakPolarHBondContact O-CB 3.47Å; V1371-L1375 WeakPolarHBondContact O-CG 3.29Å; V1371-L1375 PolarHBondContact O-N 3.42Å |
| 1372 | E | 88.8 | Confident | 89.6 | Confident | 83 Ų | 83 | 40.3 Ų | 40.3 | 39% | 0.388 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.3 | -37.7 | 171.5 | -74.4 | -170.7 | 165.9 | 0 | 0 | 111.4 | N1008 L1012 A1368 S1376 | N1008-E1372 WeakPolarHBondContact CB-OE1 3.17Å; N1008-E1372 PolarHBondContact ND2-OE1 2.97Å; L1012-E1372 HydrophobicContact CD1-CG 4.43Å; L1012-E1372 HydrophobicContact CD2-CG 4.38Å; A1368-E1372 WeakPolarHBondContact O-CB 3.38Å; A1368-E1372 WeakPolarHBondContact O-CG 3.46Å; A1368-E1372 PolarHBondContact O-N 3.45Å; E1372-S1376 WeakPolarHBondContact O-CB 3.44Å; E1372-S1376 PolarHBondContact O-N 3.12Å |
| 1373 | Y | 88.1 | Confident | 89.5 | Confident | 62 Ų | 62 | 40.3 Ų | 40.3 | 24% | 0.243 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66 | -49.9 | 177.4 | 179.7 | -130.4 | 0 | 0 | 0 | 112.8 | L1307 H1308 E1369 L1370 V1371 S1376 F1377 | L1307-Y1373 VanDerWaalsContact C-OH 3.28Å; L1307-Y1373 HydrophobicContact CD2-CE1 3.97Å; L1307-Y1373 HydrophobicContact CG-CE1 4.12Å; L1307-Y1373 PolarHBondContact O-OH 3.1Å; H1308-Y1373 WeakPolarHBondContact CA-OH 3.48Å; H1308-Y1373 AromaticContact CE1-CE1 3.74Å; H1308-Y1373 AromaticContact CE1-CZ 3.91Å; H1308-Y1373 PolarHBondContact N-OH 3.19Å; H1308-Y1373 AromaticContact ND1-CE1 3.85Å; H1308-Y1373 AromaticContact ND1-CZ 3.54Å; H1308-Y1373 PolarHBondContact ND1-OH 3.34Å; E1369-Y1373 VanDerWaalsContact O-CB 3.26Å; E1369-Y1373 WeakPolarHBondContact O-CB 3.49Å; E1369-Y1373 PolarHBondContact O-N 3.17Å; L1370-Y1373 PolarHBondContact O-N 3.35Å; V1371-Y1373 VanDerWaalsContact C-N 3.27Å; V1371-Y1373 PolarHBondContact O-N 3.08Å; Y1373-S1376 WeakPolarHBondContact O-CB 3.31Å; Y1373-S1376 PolarHBondContact O-N 3.25Å; Y1373-S1376 PolarHBondContact O-OG 3.44Å; Y1373-F1377 HydrophobicContact CD2-CE2 4.4Å; Y1373-F1377 AromaticContact CE2-CE2 3.94Å; Y1373-F1377 HydrophobicContact CE2-CE2 3.94Å; Y1373-F1377 HydrophobicContact CE2-CZ 4.33Å; Y1373-F1377 WeakPolarHBondContact O-CD2 3.28Å |
| 1374 | Y | 87.3 | Confident | 89.5 | Confident | 6 Ų | 6 | 42 Ų | 42 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 175.7 | -76.3 | -61.4 | 0 | 0 | 0 | 111.7 | Y1181 L1307 P1316 I1318 L1370 V1371 S1376 F1377 | Y1181-Y1374 PolarHBondContact OH-O 3.05Å; L1307-Y1374 HydrophobicContact CD2-CD1 4.5Å; L1307-Y1374 HydrophobicContact CD2-CE1 3.86Å; P1316-Y1374 HydrophobicContact CB-CD1 3.91Å; P1316-Y1374 HydrophobicContact CB-CE1 4.25Å; I1318-Y1374 HydrophobicContact CG1-CD1 4.03Å; I1318-Y1374 HydrophobicContact CG1-CE1 4.45Å; I1318-Y1374 HydrophobicContact CG1-CG 4.2Å; L1370-Y1374 HydrophobicContact CD1-CE2 4.49Å; L1370-Y1374 HydrophobicContact CD2-CE2 3.91Å; L1370-Y1374 HydrophobicContact CG-CD2 4.16Å; L1370-Y1374 HydrophobicContact CG-CE2 3.79Å; L1370-Y1374 WeakPolarHBondContact O-CD2 3.4Å; L1370-Y1374 PolarHBondContact O-N 3.18Å; V1371-Y1374 PolarHBondContact O-N 2.85Å; Y1374-S1376 PolarHBondContact O-N 3.09Å; Y1374-F1377 WeakPolarHBondContact O-CD2 3.3Å; Y1374-F1377 PolarHBondContact O-N 3.41Å |
| 1375 | L | 88.8 | Confident | 89.5 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 12% | 0.12 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72 | -13.9 | -177.7 | -59 | -175.4 | 0 | 0 | 0 | 113.7 | I1184 F1186 V1189 V1371 F1377 Q1378 | I1184-L1375 HydrophobicContact CG2-CD2 4.36Å; F1186-L1375 HydrophobicContact CB-CD1 3.74Å; V1189-L1375 HydrophobicContact CG2-CD2 4.33Å; V1371-L1375 HydrophobicContact CG1-CD1 3.95Å; V1371-L1375 HydrophobicContact CG1-CG 4.36Å; V1371-L1375 WeakPolarHBondContact O-CB 3.47Å; V1371-L1375 WeakPolarHBondContact O-CG 3.29Å; V1371-L1375 PolarHBondContact O-N 3.42Å; L1375-F1377 PolarHBondContact O-N 2.91Å; L1375-Q1378 VanDerWaalsContact O-CB 3.28Å; L1375-Q1378 WeakPolarHBondContact O-CB 3.38Å; L1375-Q1378 WeakPolarHBondContact O-CG 3.13Å; L1375-Q1378 PolarHBondContact O-N 2.68Å |
| 1376 | S | 89.8 | Confident | 89.5 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.7 | -30.8 | 173.5 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | E1372 Y1373 Y1374 Q1378 Q1379 | E1372-S1376 WeakPolarHBondContact O-CB 3.44Å; E1372-S1376 PolarHBondContact O-N 3.12Å; Y1373-S1376 WeakPolarHBondContact O-CB 3.31Å; Y1373-S1376 PolarHBondContact O-N 3.25Å; Y1373-S1376 PolarHBondContact O-OG 3.44Å; Y1374-S1376 PolarHBondContact O-N 3.09Å; S1376-Q1378 PolarHBondContact O-N 3.18Å; S1376-Q1379 WeakPolarHBondContact O-CB 3.35Å; S1376-Q1379 WeakPolarHBondContact O-CG 3.39Å; S1376-Q1379 PolarHBondContact O-N 3.15Å; S1376-Q1379 VanDerWaalsContact O-N 3.16Å |
| 1377 | F | 90 | Very high | 89.7 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -67.2 | -18 | 177.7 | -68.5 | -94.5 | 0 | 0 | 0 | 113.4 | Y1181 L1307 I1310 P1312 P1316 Y1373 Y1374 L1375 Q1379 | Y1181-F1377 HydrophobicContact CE1-CB 4.4Å; L1307-F1377 HydrophobicContact CD1-CE1 4.32Å; L1307-F1377 HydrophobicContact CD1-CE2 3.98Å; L1307-F1377 HydrophobicContact CD1-CZ 3.65Å; L1307-F1377 HydrophobicContact CG-CZ 4.4Å; I1310-F1377 HydrophobicContact CB-CE1 4.32Å; I1310-F1377 HydrophobicContact CG2-CE1 3.84Å; P1312-F1377 HydrophobicContact CG-CD1 4.22Å; P1316-F1377 HydrophobicContact CG-CB 3.99Å; P1316-F1377 HydrophobicContact CG-CD1 3.97Å; P1316-F1377 HydrophobicContact CG-CD2 3.45Å; P1316-F1377 VanDerWaalsContact CG-CD2 3.45Å; P1316-F1377 HydrophobicContact CG-CE1 4.32Å; P1316-F1377 HydrophobicContact CG-CE2 3.84Å; P1316-F1377 HydrophobicContact CG-CG 3.52Å; P1316-F1377 HydrophobicContact CG-CZ 4.26Å; Y1373-F1377 HydrophobicContact CD2-CE2 4.4Å; Y1373-F1377 AromaticContact CE2-CE2 3.94Å; Y1373-F1377 HydrophobicContact CE2-CE2 3.94Å; Y1373-F1377 HydrophobicContact CE2-CZ 4.33Å; Y1373-F1377 WeakPolarHBondContact O-CD2 3.28Å; Y1374-F1377 WeakPolarHBondContact O-CD2 3.3Å; Y1374-F1377 PolarHBondContact O-N 3.41Å; L1375-F1377 PolarHBondContact O-N 2.91Å; F1377-Q1379 PolarHBondContact O-N 3.12Å |
| 1378 | Q | 90.7 | Very high | 90 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 23% | 0.229 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -68.2 | -16.9 | 173.7 | -59 | 179.3 | -37.2 | 0 | 0 | 113.1 | Y1181 I1184 L1375 S1376 T1380 | Y1181-Q1378 HydrophobicContact CD1-CG 3.88Å; Y1181-Q1378 HydrophobicContact CE1-CG 3.83Å; Y1181-Q1378 PolarHBondContact O-NE2 2.93Å; I1184-Q1378 PolarHBondContact O-NE2 2.96Å; L1375-Q1378 VanDerWaalsContact O-CB 3.28Å; L1375-Q1378 WeakPolarHBondContact O-CB 3.38Å; L1375-Q1378 WeakPolarHBondContact O-CG 3.13Å; L1375-Q1378 PolarHBondContact O-N 2.68Å; S1376-Q1378 PolarHBondContact O-N 3.18Å; Q1378-T1380 VanDerWaalsContact C-N 3.28Å; Q1378-T1380 PolarHBondContact O-N 2.95Å |
| 1379 | Q | 86.5 | Confident | 90.1 | Very high | 161 Ų | 161 | 55 Ų | 55 | 75% | 0.752 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -74.4 | -14.3 | -173.6 | -62.2 | 179.8 | 23.9 | 0 | 0 | 113.9 | S1376 F1377 | S1376-Q1379 WeakPolarHBondContact O-CB 3.35Å; S1376-Q1379 WeakPolarHBondContact O-CG 3.39Å; S1376-Q1379 PolarHBondContact O-N 3.15Å; S1376-Q1379 VanDerWaalsContact O-N 3.16Å; F1377-Q1379 PolarHBondContact O-N 3.12Å |
| 1380 | T | 87.6 | Confident | 90.4 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 33% | 0.331 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -128.8 | 109 | -178.2 | -52.5 | 0 | 0 | 0 | 0 | 110.2 | W1178 P1312 P1313 Q1378 | W1178-T1380 PolarHBondContact NE1-O 2.8Å; P1312-T1380 HydrophobicContact CB-CG2 4.27Å; P1313-T1380 HydrophobicContact CB-CG2 4.25Å; Q1378-T1380 VanDerWaalsContact C-N 3.28Å; Q1378-T1380 PolarHBondContact O-N 2.95Å |
| 1381 | P | 89.2 | Confident | 90.8 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 51% | 0.506 | 26% | 0.26 | S | S | . | . | trans | -73.7 | 156.3 | 178.8 | 30.7 | -35.3 | 0 | 0 | 0 | 112.5 | W1178 | W1178-P1381 HydrophobicContact CH2-CB 3.61Å; W1178-P1381 VanDerWaalsContact CZ2-CA 3.49Å; W1178-P1381 HydrophobicContact CZ2-CB 3.78Å; W1178-P1381 HydrophobicContact CZ3-CB 4.05Å | ||
| 1382 | Y | 92.3 | Very high | 91.2 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 6% | 0.059 | 27% | 0.268 | C | S | . | . | trans | -73.3 | 126.2 | 167.1 | -77.4 | -82.1 | 0 | 0 | 0 | 111.1 | T1174 W1178 L1244 P1313 G1314 L1315 F1384 | T1174-Y1382 HydrophobicContact CG2-CD1 4.16Å; T1174-Y1382 HydrophobicContact CG2-CD2 3.95Å; T1174-Y1382 HydrophobicContact CG2-CE1 3.77Å; T1174-Y1382 HydrophobicContact CG2-CE2 3.54Å; T1174-Y1382 HydrophobicContact CG2-CG 4.23Å; T1174-Y1382 VanDerWaalsContact CG2-CZ 3.42Å; W1178-Y1382 HydrophobicContact CB-CD2 3.73Å; W1178-Y1382 HydrophobicContact CB-CE2 4.05Å; W1178-Y1382 AromaticContact CD1-CD2 3.65Å; W1178-Y1382 AromaticContact CD1-CE2 3.75Å; W1178-Y1382 HydrophobicContact CD2-CD2 4.46Å; W1178-Y1382 AromaticContact CG-CD2 3.65Å; W1178-Y1382 HydrophobicContact CG-CD2 3.65Å; W1178-Y1382 HydrophobicContact CG-CE2 4.07Å; L1244-Y1382 VanDerWaalsContact O-CE1 3.23Å; L1244-Y1382 WeakPolarHBondContact O-CE1 3.49Å; L1244-Y1382 PolarHBondContact O-OH 2.94Å; P1313-Y1382 HydrophobicContact CB-CD1 3.93Å; P1313-Y1382 HydrophobicContact CB-CD2 4.28Å; P1313-Y1382 HydrophobicContact CB-CE1 3.93Å; P1313-Y1382 HydrophobicContact CB-CE2 4.27Å; P1313-Y1382 HydrophobicContact CB-CG 4.13Å; P1313-Y1382 HydrophobicContact CG-CD1 4.06Å; P1313-Y1382 HydrophobicContact CG-CE1 4.14Å; G1314-Y1382 VanDerWaalsContact CA-OH 3.27Å; G1314-Y1382 WeakPolarHBondContact CA-OH 3.34Å; L1315-Y1382 PolarHBondContact N-OH 3.48Å; Y1382-F1384 VanDerWaalsContact C-N 3.3Å; Y1382-F1384 HydrophobicContact CD1-CD2 4.27Å; Y1382-F1384 AromaticContact CD1-CE2 3.45Å; Y1382-F1384 HydrophobicContact CD1-CE2 3.45Å; Y1382-F1384 VanDerWaalsContact CD1-CE2 3.45Å; Y1382-F1384 AromaticContact CD1-CZ 3.9Å; Y1382-F1384 HydrophobicContact CD1-CZ 3.9Å; Y1382-F1384 HydrophobicContact CE1-CE2 4.27Å; Y1382-F1384 HydrophobicContact CG-CD2 4.35Å; Y1382-F1384 AromaticContact CG-CE2 3.96Å; Y1382-F1384 HydrophobicContact CG-CE2 3.96Å; Y1382-F1384 PolarHBondContact O-N 3.36Å | ||
| 1383 | N | 91.7 | Very high | 91.6 | Very high | 65 Ų | 65 | 49 Ų | 49 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | trans | -83.3 | 68.8 | 177.5 | -173.1 | 18 | 0 | 0 | 0 | 111.5 | Q1142 P1143 P1144 P1145 | Q1142-N1383 PolarHBondContact O-ND2 3.32Å; Q1142-N1383 VanDerWaalsContact O-ND2 3.1Å; Q1142-N1383 PolarHBondContact O-OD1 2.69Å; P1143-N1383 PolarHBondContact O-ND2 3.08Å; P1144-N1383 WeakPolarHBondContact CA-OD1 3.31Å; P1144-N1383 WeakPolarHBondContact CB-OD1 3.42Å; P1145-N1383 WeakPolarHBondContact CD-O 3.46Å | ||
| 1384 | F | 92.1 | Very high | 92 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | trans | -122.5 | 151.1 | 175.5 | -56.4 | -40.7 | 0 | 0 | 0 | 111.4 | P1145 R1171 L1175 L1244 Y1382 | P1145-F1384 HydrophobicContact CG-CD1 4.32Å; P1145-F1384 HydrophobicContact CG-CE1 4.43Å; R1171-F1384 HydrophobicContact CB-CD2 4.01Å; R1171-F1384 HydrophobicContact CB-CE2 4.33Å; R1171-F1384 HydrophobicContact CB-CG 4.19Å; R1171-F1384 HydrophobicContact CG-CD1 4.18Å; R1171-F1384 HydrophobicContact CG-CD2 4.23Å; R1171-F1384 HydrophobicContact CG-CE1 4.15Å; R1171-F1384 HydrophobicContact CG-CE2 4.18Å; R1171-F1384 HydrophobicContact CG-CG 4.27Å; R1171-F1384 HydrophobicContact CG-CZ 4.18Å; L1175-F1384 HydrophobicContact CD2-CB 4.16Å; L1244-F1384 HydrophobicContact CD2-CE2 4.2Å; L1244-F1384 HydrophobicContact CD2-CZ 3.67Å; Y1382-F1384 VanDerWaalsContact C-N 3.3Å; Y1382-F1384 HydrophobicContact CD1-CD2 4.27Å; Y1382-F1384 AromaticContact CD1-CE2 3.45Å; Y1382-F1384 HydrophobicContact CD1-CE2 3.45Å; Y1382-F1384 VanDerWaalsContact CD1-CE2 3.45Å; Y1382-F1384 AromaticContact CD1-CZ 3.9Å; Y1382-F1384 HydrophobicContact CD1-CZ 3.9Å; Y1382-F1384 HydrophobicContact CE1-CE2 4.27Å; Y1382-F1384 HydrophobicContact CG-CD2 4.35Å; Y1382-F1384 AromaticContact CG-CE2 3.96Å; Y1382-F1384 HydrophobicContact CG-CE2 3.96Å; Y1382-F1384 PolarHBondContact O-N 3.36Å | ||
| 1385 | S | 91.5 | Very high | 92.3 | Very high | 38 Ų | 38 | 51 Ų | 51 | 27% | 0.266 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 133.6 | 176.6 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | Q1147 Q1172 N1387 | Q1147-S1385 WeakPolarHBondContact CG-OG 2.9Å; Q1147-S1385 PolarHBondContact NE2-O 3.36Å; Q1147-S1385 PolarHBondContact NE2-OG 3.47Å; Q1172-S1385 PolarHBondContact NE2-O 3.39Å; S1385-N1387 PolarHBondContact O-N 3.01Å |
| 1386 | I | 93.8 | Very high | 92.5 | Very high | 86 Ų | 86 | 55 Ų | 55 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -70 | 120.6 | -178.4 | -60.2 | 171.1 | 0 | 0 | 0 | 110.5 | L1175 R1391 | L1175-I1386 HydrophobicContact CD2-CG1 3.64Å; I1386-R1391 HydrophobicContact CG2-CB 3.82Å; I1386-R1391 HydrophobicContact CG2-CG 3.95Å |
| 1387 | N | 94.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -84 | 116.5 | 165.8 | -174.6 | -71.4 | 0 | 0 | 0 | 109.5 | Q1147 Q1172 S1385 S1389 V1390 R1391 | Q1147-N1387 PolarHBondContact OE1-ND2 2.66Å; Q1172-N1387 HydrophobicContact CG-CB 4.01Å; S1385-N1387 PolarHBondContact O-N 3.01Å; N1387-S1389 PolarHBondContact O-N 2.86Å; N1387-S1389 PolarHBondContact OD1-N 3.05Å; N1387-V1390 HydrophobicContact CB-CB 4.33Å; N1387-V1390 HydrophobicContact CB-CG2 4.42Å; N1387-V1390 PolarHBondContact OD1-N 3.19Å; N1387-R1391 WeakPolarHBondContact O-CB 3.4Å; N1387-R1391 PolarHBondContact O-N 3.4Å |
| 1388 | K | 93.4 | Very high | 92.8 | Very high | 181 Ų | 181 | 56.8 Ų | 56.8 | 79% | 0.787 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | -170 | -64.5 | -179.8 | -177.3 | 175.6 | 0 | 113.8 | R1391 G1392 | K1388-R1391 PolarHBondContact O-N 2.87Å; K1388-G1392 PolarHBondContact O-N 3.01Å |
| 1389 | S | 93.5 | Very high | 92.8 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.4 | -44 | -177.3 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | S1156 N1387 F1393 | S1156-S1389 PolarHBondContact OG-O 3.44Å; N1387-S1389 PolarHBondContact O-N 2.86Å; N1387-S1389 PolarHBondContact OD1-N 3.05Å; S1389-F1393 PolarHBondContact O-N 2.87Å |
| 1390 | V | 95.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 172.9 | -179 | 0 | 0 | 0 | 0 | 111.1 | V1159 V1164 F1169 Q1172 N1387 G1392 F1393 L1394 | V1159-V1390 HydrophobicContact CG2-CG2 4.37Å; V1164-V1390 HydrophobicContact CG1-CG2 4.42Å; V1164-V1390 HydrophobicContact CG2-CG2 4.16Å; F1169-V1390 HydrophobicContact CD2-CG1 4.02Å; F1169-V1390 HydrophobicContact CE2-CG1 4.11Å; Q1172-V1390 HydrophobicContact CB-CB 4.4Å; Q1172-V1390 HydrophobicContact CB-CG1 3.7Å; Q1172-V1390 HydrophobicContact CG-CB 4.33Å; Q1172-V1390 HydrophobicContact CG-CG1 4.11Å; N1387-V1390 HydrophobicContact CB-CB 4.33Å; N1387-V1390 HydrophobicContact CB-CG2 4.42Å; N1387-V1390 PolarHBondContact OD1-N 3.19Å; V1390-G1392 PolarHBondContact O-N 3.17Å; V1390-F1393 WeakPolarHBondContact O-CB 3.29Å; V1390-F1393 PolarHBondContact O-N 3.36Å; V1390-L1394 HydrophobicContact CG1-CD1 4.17Å; V1390-L1394 HydrophobicContact CG1-CG 4.34Å; V1390-L1394 WeakPolarHBondContact O-CG 3.18Å; V1390-L1394 PolarHBondContact O-N 3.22Å |
| 1391 | R | 95.2 | Very high | 93 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 178.4 | -178.2 | 60.9 | -178.7 | -111.5 | -7.4 | 112.7 | Y1176 E1179 I1386 N1387 K1388 F1393 L1394 E1395 | Y1176-R1391 VanDerWaalsContact CD2-CZ 3.42Å; E1179-R1391 IonicContact OE1-CZ 2.85Å; E1179-R1391 IonicContact OE1-NH1 3.79Å; E1179-R1391 PolarHBondContact OE1-NH1 3Å; E1179-R1391 IonicContact OE1-NH2 3.82Å; E1179-R1391 IonicContact OE2-CZ 2.77Å; E1179-R1391 IonicContact OE2-NH1 3.53Å; E1179-R1391 PolarHBondContact OE2-NH1 3.29Å; E1179-R1391 IonicContact OE2-NH2 3.66Å; E1179-R1391 PolarHBondContact OE2-NH2 3.41Å; I1386-R1391 HydrophobicContact CG2-CB 3.82Å; I1386-R1391 HydrophobicContact CG2-CG 3.95Å; N1387-R1391 WeakPolarHBondContact O-CB 3.4Å; N1387-R1391 PolarHBondContact O-N 3.4Å; K1388-R1391 PolarHBondContact O-N 2.87Å; R1391-F1393 VanDerWaalsContact C-N 3.27Å; R1391-F1393 PolarHBondContact O-N 3.48Å; R1391-L1394 PolarHBondContact O-N 3.13Å; R1391-E1395 IonicContact CZ-OE1 3.27Å; R1391-E1395 VanDerWaalsContact NE-CD 3.33Å; R1391-E1395 IonicContact NE-OE1 2.69Å; R1391-E1395 PolarHBondContact NE-OE1 3.34Å; R1391-E1395 IonicContact NH2-OE1 3.79Å; R1391-E1395 PolarHBondContact NH2-OE1 2.93Å; R1391-E1395 WeakPolarHBondContact O-CG 3.32Å; R1391-E1395 PolarHBondContact O-N 2.85Å |
| 1392 | G | 95.1 | Very high | 92.9 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62 | -34 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | K1388 V1390 T1396 | K1388-G1392 PolarHBondContact O-N 3.01Å; V1390-G1392 PolarHBondContact O-N 3.17Å; G1392-T1396 WeakPolarHBondContact O-CB 3.33Å; G1392-T1396 WeakPolarHBondContact O-CG2 3.07Å; G1392-T1396 PolarHBondContact O-N 3.11Å; G1392-T1396 PolarHBondContact O-OG1 2.95Å |
| 1393 | F | 96.7 | Very high | 92.6 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.7 | -46.7 | 172.7 | 163.3 | -92.1 | 0 | 0 | 0 | 111.5 | S1156 V1159 F1169 W1213 S1389 V1390 R1391 E1395 T1396 L1397 | S1156-F1393 PolarHBondContact OG-N 3.47Å; V1159-F1393 HydrophobicContact CB-CB 3.97Å; V1159-F1393 HydrophobicContact CB-CD1 4.17Å; V1159-F1393 HydrophobicContact CB-CD2 3.9Å; V1159-F1393 HydrophobicContact CB-CE2 4.49Å; V1159-F1393 HydrophobicContact CB-CG 3.73Å; V1159-F1393 HydrophobicContact CG1-CB 4.14Å; V1159-F1393 HydrophobicContact CG1-CD1 3.53Å; V1159-F1393 HydrophobicContact CG1-CD2 4.1Å; V1159-F1393 HydrophobicContact CG1-CE1 3.94Å; V1159-F1393 HydrophobicContact CG1-CE2 4.46Å; V1159-F1393 HydrophobicContact CG1-CG 3.63Å; V1159-F1393 HydrophobicContact CG1-CZ 4.39Å; V1159-F1393 HydrophobicContact CG2-CB 3.89Å; V1159-F1393 HydrophobicContact CG2-CG 4.21Å; F1169-F1393 HydrophobicContact CE2-CD1 4.45Å; F1169-F1393 HydrophobicContact CE2-CE1 4.22Å; F1169-F1393 HydrophobicContact CZ-CE1 4.05Å; W1213-F1393 HydrophobicContact CD2-CZ 4.11Å; W1213-F1393 AromaticContact CE2-CZ 3.53Å; W1213-F1393 HydrophobicContact CH2-CE1 4.47Å; W1213-F1393 HydrophobicContact CH2-CZ 4.25Å; W1213-F1393 HydrophobicContact CZ2-CE1 4.25Å; W1213-F1393 HydrophobicContact CZ2-CE2 4.42Å; W1213-F1393 AromaticContact CZ2-CZ 3.6Å; W1213-F1393 HydrophobicContact CZ2-CZ 3.6Å; W1213-F1393 AromaticContact NE1-CZ 3.66Å; S1389-F1393 PolarHBondContact O-N 2.87Å; V1390-F1393 WeakPolarHBondContact O-CB 3.29Å; V1390-F1393 PolarHBondContact O-N 3.36Å; R1391-F1393 VanDerWaalsContact C-N 3.27Å; R1391-F1393 PolarHBondContact O-N 3.48Å; F1393-E1395 PolarHBondContact O-N 3.26Å; F1393-T1396 PolarHBondContact O-N 3.27Å; F1393-T1396 PolarHBondContact O-OG1 3.23Å; F1393-L1397 HydrophobicContact CE1-CD1 4.26Å; F1393-L1397 HydrophobicContact CE2-CD1 4.09Å; F1393-L1397 HydrophobicContact CZ-CD1 3.65Å; F1393-L1397 PolarHBondContact O-N 2.82Å |
| 1394 | L | 96.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | -179.5 | -65.3 | 176.4 | 0 | 0 | 0 | 112.5 | F1169 V1173 Y1176 F1206 F1210 V1390 R1391 T1396 L1397 | F1169-L1394 HydrophobicContact CZ-CD2 4.48Å; V1173-L1394 HydrophobicContact CB-CD1 4.5Å; V1173-L1394 HydrophobicContact CG2-CD1 3.88Å; V1173-L1394 HydrophobicContact CG2-CD2 3.8Å; Y1176-L1394 HydrophobicContact CD1-CB 3.74Å; Y1176-L1394 HydrophobicContact CD1-CD1 4.36Å; Y1176-L1394 HydrophobicContact CE1-CB 4.04Å; Y1176-L1394 HydrophobicContact CG-CB 4.47Å; F1206-L1394 HydrophobicContact CE2-CB 4.36Å; F1206-L1394 HydrophobicContact CE2-CD2 4.38Å; F1206-L1394 HydrophobicContact CZ-CD2 4.18Å; F1210-L1394 HydrophobicContact CE2-CD2 4.44Å; V1390-L1394 HydrophobicContact CG1-CD1 4.17Å; V1390-L1394 HydrophobicContact CG1-CG 4.34Å; V1390-L1394 WeakPolarHBondContact O-CG 3.18Å; V1390-L1394 PolarHBondContact O-N 3.22Å; R1391-L1394 PolarHBondContact O-N 3.13Å; L1394-T1396 VanDerWaalsContact C-N 3.32Å; L1394-T1396 PolarHBondContact O-N 2.89Å; L1394-L1397 WeakPolarHBondContact O-CB 3.14Å |
| 1395 | E | 94.6 | Very high | 92.1 | Very high | 105 Ų | 105 | 54.3 Ų | 54.3 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.5 | -21.5 | 177.2 | -72.3 | -179.2 | 159.5 | 0 | 0 | 113.7 | Y1176 R1391 F1393 | Y1176-E1395 HydrophobicContact CE1-CG 4.47Å; Y1176-E1395 HydrophobicContact CE2-CG 3.77Å; R1391-E1395 IonicContact CZ-OE1 3.27Å; R1391-E1395 VanDerWaalsContact NE-CD 3.33Å; R1391-E1395 IonicContact NE-OE1 2.69Å; R1391-E1395 PolarHBondContact NE-OE1 3.34Å; R1391-E1395 IonicContact NH2-OE1 3.79Å; R1391-E1395 PolarHBondContact NH2-OE1 2.93Å; R1391-E1395 WeakPolarHBondContact O-CG 3.32Å; R1391-E1395 PolarHBondContact O-N 2.85Å; F1393-E1395 PolarHBondContact O-N 3.26Å |
| 1396 | T | 93.5 | Very high | 91.7 | Very high | 107 Ų | 107 | 60.7 Ų | 60.7 | 66% | 0.656 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -103.9 | 1.2 | 178.7 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | G1392 F1393 L1394 N1398 | G1392-T1396 WeakPolarHBondContact O-CB 3.33Å; G1392-T1396 WeakPolarHBondContact O-CG2 3.07Å; G1392-T1396 PolarHBondContact O-N 3.11Å; G1392-T1396 PolarHBondContact O-OG1 2.95Å; F1393-T1396 PolarHBondContact O-N 3.27Å; F1393-T1396 PolarHBondContact O-OG1 3.23Å; L1394-T1396 VanDerWaalsContact C-N 3.32Å; L1394-T1396 PolarHBondContact O-N 2.89Å; T1396-N1398 PolarHBondContact O-N 3.21Å |
| 1397 | L | 93.6 | Very high | 91.3 | Very high | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | trans | -60.6 | 113.9 | -173.1 | -173.8 | 59.3 | 0 | 0 | 0 | 112.8 | F1206 K1209 F1210 W1213 F1393 L1394 | F1206-L1397 HydrophobicContact CE2-CD2 4.2Å; K1209-L1397 WeakPolarHBondContact CD-O 3.26Å; F1210-L1397 HydrophobicContact CB-CD2 4.38Å; F1210-L1397 HydrophobicContact CD2-CD2 4.02Å; W1213-L1397 HydrophobicContact CB-CD1 3.9Å; W1213-L1397 HydrophobicContact CB-CD2 4.3Å; W1213-L1397 HydrophobicContact CB-CG 4.46Å; W1213-L1397 HydrophobicContact CD2-CD1 4.42Å; W1213-L1397 HydrophobicContact CG-CD1 3.73Å; F1393-L1397 HydrophobicContact CE1-CD1 4.26Å; F1393-L1397 HydrophobicContact CE2-CD1 4.09Å; F1393-L1397 HydrophobicContact CZ-CD1 3.65Å; F1393-L1397 PolarHBondContact O-N 2.82Å; L1394-L1397 WeakPolarHBondContact O-CB 3.14Å | ||
| 1398 | N | 91.7 | Very high | 90.9 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 34% | 0.342 | 34% | 0.337 | S | S | . | . | trans | -146.9 | 80.2 | 176.9 | -169.9 | -6.5 | 0 | 0 | 0 | 112.4 | T1396 L1400 N1401 T1402 | T1396-N1398 PolarHBondContact O-N 3.21Å; N1398-L1400 VanDerWaalsContact C-N 3.28Å; N1398-L1400 PolarHBondContact O-N 2.65Å; N1398-N1401 HydrophobicContact CB-CB 4.25Å; N1398-N1401 WeakPolarHBondContact ND2-CB 3.39Å; N1398-N1401 PolarHBondContact O-N 3.02Å; N1398-N1401 PolarHBondContact OD1-N 2.94Å; N1398-T1402 PolarHBondContact O-N 3.31Å; N1398-T1402 PolarHBondContact O-OG1 3.48Å; N1398-T1402 VanDerWaalsContact O-OG1 3.05Å | ||
| 1399 | P | 90.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.013 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.3 | -27.8 | -178.2 | 28.8 | -37.2 | 0 | 0 | 0 | 113.4 | K1209 C1212 W1213 T1402 W1403 F1411 | K1209-P1399 WeakPolarHBondContact O-CG 3.39Å; C1212-P1399 HydrophobicContact CB-CB 4.32Å; C1212-P1399 HydrophobicContact CB-CG 3.6Å; W1213-P1399 HydrophobicContact CB-CB 4.32Å; W1213-P1399 HydrophobicContact CB-CG 4.27Å; P1399-T1402 WeakPolarHBondContact O-CB 3.49Å; P1399-T1402 PolarHBondContact O-N 3.05Å; P1399-W1403 VanDerWaalsContact O-CD1 3.32Å; P1399-W1403 PolarHBondContact O-N 3.47Å; P1399-F1411 HydrophobicContact CB-CE2 4.45Å |
| 1400 | L | 90 | Very high | 90.4 | Very high | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.131 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -51.1 | 175.3 | -76.6 | 150.1 | 0 | 0 | 0 | 110.4 | N1398 T1402 W1403 G1404 V1405 N1407 E1408 F1411 | N1398-L1400 VanDerWaalsContact C-N 3.28Å; N1398-L1400 PolarHBondContact O-N 2.65Å; L1400-T1402 VanDerWaalsContact C-N 3.33Å; L1400-T1402 PolarHBondContact O-N 3.39Å; L1400-W1403 PolarHBondContact O-N 2.94Å; L1400-G1404 PolarHBondContact O-N 3.32Å; L1400-G1404 VanDerWaalsContact O-N 3.15Å; L1400-V1405 CarbonylContact C-O 3.22Å; L1400-V1405 HydrophobicContact CD2-CB 4.43Å; L1400-V1405 HydrophobicContact CD2-CG1 4.28Å; L1400-V1405 PolarHBondContact O-N 2.75Å; L1400-N1407 VanDerWaalsContact CD2-C 3.47Å; L1400-N1407 VanDerWaalsContact CD2-O 3.28Å; L1400-N1407 WeakPolarHBondContact CD2-O 3.38Å; L1400-E1408 HydrophobicContact CD1-CG 4.38Å; L1400-E1408 HydrophobicContact CD2-CG 4.48Å; L1400-F1411 HydrophobicContact CD2-CB 3.82Å; L1400-F1411 HydrophobicContact CD2-CG 4.36Å |
| 1401 | N | 88.1 | Confident | 90.3 | Very high | 118 Ų | 118 | 58.9 Ų | 58.9 | 63% | 0.631 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.2 | -34.2 | 174.3 | -172.6 | 42.5 | 0 | 0 | 0 | 112.8 | N1398 W1403 G1404 | N1398-N1401 HydrophobicContact CB-CB 4.25Å; N1398-N1401 WeakPolarHBondContact ND2-CB 3.39Å; N1398-N1401 PolarHBondContact O-N 3.02Å; N1398-N1401 PolarHBondContact OD1-N 2.94Å; N1401-W1403 PolarHBondContact O-N 3.42Å; N1401-G1404 PolarHBondContact O-N 3.06Å; N1401-G1404 VanDerWaalsContact O-N 3.1Å |
| 1402 | T | 86.9 | Confident | 90.2 | Very high | 109 Ų | 109 | 60.2 Ų | 60.2 | 67% | 0.669 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.4 | -29.3 | 175.4 | -46.6 | 0 | 0 | 0 | 0 | 113 | N1398 P1399 L1400 | N1398-T1402 PolarHBondContact O-N 3.31Å; N1398-T1402 PolarHBondContact O-OG1 3.48Å; N1398-T1402 VanDerWaalsContact O-OG1 3.05Å; P1399-T1402 WeakPolarHBondContact O-CB 3.49Å; P1399-T1402 PolarHBondContact O-N 3.05Å; L1400-T1402 VanDerWaalsContact C-N 3.33Å; L1400-T1402 PolarHBondContact O-N 3.39Å |
| 1403 | W | 87.6 | Confident | 90 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 31% | 0.311 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 1.2 | 176.6 | -71.1 | 97 | 0 | 0 | 0 | 113.9 | S1216 P1399 L1400 N1401 V1405 F1411 I1414 M1415 K1418 | S1216-W1403 PolarHBondContact OG-NE1 3Å; P1399-W1403 VanDerWaalsContact O-CD1 3.32Å; P1399-W1403 PolarHBondContact O-N 3.47Å; L1400-W1403 PolarHBondContact O-N 2.94Å; N1401-W1403 PolarHBondContact O-N 3.42Å; W1403-V1405 HydrophobicContact CB-CG2 3.95Å; W1403-F1411 AromaticContact CD1-CE2 3.71Å; W1403-F1411 HydrophobicContact CG-CE2 4.44Å; W1403-I1414 HydrophobicContact CE3-CG2 4.4Å; W1403-M1415 HydrophobicContact CD2-CE 3.67Å; W1403-M1415 HydrophobicContact CE3-CE 4.26Å; W1403-M1415 HydrophobicContact CG-CE 3.93Å; W1403-M1415 HydrophobicContact CZ2-CE 4.04Å; W1403-K1418 HydrophobicContact CH2-CD 4.15Å |
| 1404 | G | 85.9 | Confident | 89.9 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 67% | 0.67 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 38.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1400 N1401 | L1400-G1404 PolarHBondContact O-N 3.32Å; L1400-G1404 VanDerWaalsContact O-N 3.15Å; N1401-G1404 PolarHBondContact O-N 3.06Å; N1401-G1404 VanDerWaalsContact O-N 3.1Å |
| 1405 | V | 87.7 | Confident | 89.9 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.055 | 37% | 0.367 | C | S | . | . | trans | -122.2 | 137.8 | -171.5 | -174.5 | 0 | 0 | 0 | 0 | 112.2 | L1400 W1403 N1407 L1410 F1411 I1414 | L1400-V1405 CarbonylContact C-O 3.22Å; L1400-V1405 HydrophobicContact CD2-CB 4.43Å; L1400-V1405 HydrophobicContact CD2-CG1 4.28Å; L1400-V1405 PolarHBondContact O-N 2.75Å; W1403-V1405 HydrophobicContact CB-CG2 3.95Å; V1405-N1407 VanDerWaalsContact CG1-O 3.25Å; V1405-N1407 WeakPolarHBondContact CG1-O 3.39Å; V1405-L1410 HydrophobicContact CG1-CB 3.93Å; V1405-L1410 HydrophobicContact CG1-CD2 3.76Å; V1405-L1410 HydrophobicContact CG1-CG 4.48Å; V1405-L1410 HydrophobicContact CG2-CD2 4.18Å; V1405-F1411 HydrophobicContact CG1-CB 4.16Å; V1405-I1414 HydrophobicContact CG2-CD1 3.68Å | ||
| 1406 | D | 81.2 | Confident | 89.9 | Confident | 171 Ų | 171 | 64.6 Ų | 64.6 | 91% | 0.914 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -85.8 | -26.2 | -176.9 | -60.4 | -25.3 | 0 | 0 | 0 | 114.5 | ||
| 1407 | N | 85.8 | Confident | 89.9 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 42% | 0.417 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -142.4 | 160.3 | -173.2 | 69.7 | 6.9 | 0 | 0 | 0 | 114.3 | L1400 V1405 S1409 L1410 F1411 | L1400-N1407 VanDerWaalsContact CD2-C 3.47Å; L1400-N1407 VanDerWaalsContact CD2-O 3.28Å; L1400-N1407 WeakPolarHBondContact CD2-O 3.38Å; V1405-N1407 VanDerWaalsContact CG1-O 3.25Å; V1405-N1407 WeakPolarHBondContact CG1-O 3.39Å; N1407-S1409 PolarHBondContact ND2-OG 3.02Å; N1407-S1409 PolarHBondContact O-N 2.96Å; N1407-S1409 PolarHBondContact OD1-OG 3.47Å; N1407-L1410 WeakPolarHBondContact OD1-CB 3.22Å; N1407-L1410 PolarHBondContact OD1-N 3Å; N1407-L1410 VanDerWaalsContact OD1-N 3.17Å; N1407-F1411 PolarHBondContact O-N 3.36Å |
| 1408 | E | 85.6 | Confident | 89.9 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 25% | 0.248 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -31.9 | -175.7 | -73.9 | -172.4 | -122.6 | 0 | 0 | 113.9 | N1208 K1211 L1400 F1411 D1412 | N1208-E1408 VanDerWaalsContact CB-OE1 3.32Å; N1208-E1408 WeakPolarHBondContact CB-OE1 3.43Å; N1208-E1408 PolarHBondContact ND2-OE1 3.02Å; K1211-E1408 IonicContact NZ-OE2 2.69Å; K1211-E1408 PolarHBondContact NZ-OE2 3.25Å; L1400-E1408 HydrophobicContact CD1-CG 4.38Å; L1400-E1408 HydrophobicContact CD2-CG 4.48Å; E1408-F1411 WeakPolarHBondContact O-CB 3.31Å; E1408-F1411 PolarHBondContact O-N 2.84Å; E1408-D1412 PolarHBondContact O-N 3.21Å |
| 1409 | S | 86.6 | Confident | 90.1 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | -179.7 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | N1407 F1411 D1412 D1413 | N1407-S1409 PolarHBondContact ND2-OG 3.02Å; N1407-S1409 PolarHBondContact O-N 2.96Å; N1407-S1409 PolarHBondContact OD1-OG 3.47Å; S1409-F1411 VanDerWaalsContact C-N 3.25Å; S1409-F1411 PolarHBondContact O-N 3.43Å; S1409-D1412 PolarHBondContact O-N 3.3Å; S1409-D1413 PolarHBondContact O-N 3.36Å |
| 1410 | L | 90.2 | Very high | 90.2 | Very high | 85 Ų | 85 | 64.8 Ų | 64.8 | 45% | 0.445 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.8 | -22.1 | -179 | -161.4 | 141.6 | 0 | 0 | 0 | 111.4 | V1405 N1407 I1414 | V1405-L1410 HydrophobicContact CG1-CB 3.93Å; V1405-L1410 HydrophobicContact CG1-CD2 3.76Å; V1405-L1410 HydrophobicContact CG1-CG 4.48Å; V1405-L1410 HydrophobicContact CG2-CD2 4.18Å; N1407-L1410 WeakPolarHBondContact OD1-CB 3.22Å; N1407-L1410 PolarHBondContact OD1-N 3Å; N1407-L1410 VanDerWaalsContact OD1-N 3.17Å; L1410-I1414 HydrophobicContact CD2-CD1 3.64Å; L1410-I1414 HydrophobicContact CD2-CG1 4.38Å; L1410-I1414 WeakPolarHBondContact O-CB 3.37Å; L1410-I1414 VanDerWaalsContact O-CG1 3.28Å; L1410-I1414 WeakPolarHBondContact O-CG1 3.48Å; L1410-I1414 PolarHBondContact O-N 3.38Å; L1410-I1414 VanDerWaalsContact O-N 3.1Å |
| 1411 | F | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.4 | -48.7 | 167.5 | 170.4 | -86.2 | 0 | 0 | 0 | 110.8 | C1212 V1215 P1399 L1400 W1403 V1405 N1407 E1408 S1409 D1413 I1414 M1415 | C1212-F1411 HydrophobicContact CB-CD1 4.24Å; C1212-F1411 HydrophobicContact CB-CE1 3.66Å; C1212-F1411 HydrophobicContact CB-CE2 4.38Å; C1212-F1411 HydrophobicContact CB-CZ 3.75Å; C1212-F1411 VanDerWaalsContact O-CZ 3.28Å; C1212-F1411 WeakPolarHBondContact O-CZ 3.4Å; V1215-F1411 HydrophobicContact CG1-CE1 4.44Å; P1399-F1411 HydrophobicContact CB-CE2 4.45Å; L1400-F1411 HydrophobicContact CD2-CB 3.82Å; L1400-F1411 HydrophobicContact CD2-CG 4.36Å; W1403-F1411 AromaticContact CD1-CE2 3.71Å; W1403-F1411 HydrophobicContact CG-CE2 4.44Å; V1405-F1411 HydrophobicContact CG1-CB 4.16Å; N1407-F1411 PolarHBondContact O-N 3.36Å; E1408-F1411 WeakPolarHBondContact O-CB 3.31Å; E1408-F1411 PolarHBondContact O-N 2.84Å; S1409-F1411 VanDerWaalsContact C-N 3.25Å; S1409-F1411 PolarHBondContact O-N 3.43Å; F1411-D1413 VanDerWaalsContact C-N 3.31Å; F1411-D1413 PolarHBondContact O-N 3.13Å; F1411-I1414 PolarHBondContact O-N 3.49Å; F1411-M1415 HydrophobicContact CD1-CG 4.03Å; F1411-M1415 HydrophobicContact CD2-CE 4.3Å; F1411-M1415 HydrophobicContact CE1-CG 3.54Å; F1411-M1415 HydrophobicContact CE1-SD 4.48Å; F1411-M1415 HydrophobicContact CE2-CE 3.81Å; F1411-M1415 HydrophobicContact CE2-CG 4.09Å; F1411-M1415 HydrophobicContact CE2-SD 4.23Å; F1411-M1415 HydrophobicContact CG-CG 4.48Å; F1411-M1415 HydrophobicContact CZ-CE 4.11Å; F1411-M1415 HydrophobicContact CZ-CG 3.56Å; F1411-M1415 HydrophobicContact CZ-SD 3.91Å; F1411-M1415 VanDerWaalsContact O-CG 3.3Å; F1411-M1415 WeakPolarHBondContact O-CG 3.06Å; F1411-M1415 PolarHBondContact O-N 3.49Å |
| 1412 | D | 91.9 | Very high | 90.3 | Very high | 55 Ų | 55 | 64.2 Ų | 64.2 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 177.9 | -79.6 | -24.9 | 0 | 0 | 0 | 111.6 | E1408 S1409 M1415 Y1416 | E1408-D1412 PolarHBondContact O-N 3.21Å; S1409-D1412 PolarHBondContact O-N 3.3Å; D1412-M1415 PolarHBondContact O-N 3.46Å; D1412-Y1416 VanDerWaalsContact O-CB 3.31Å; D1412-Y1416 WeakPolarHBondContact O-CB 3.44Å; D1412-Y1416 PolarHBondContact O-N 3Å |
| 1413 | D | 92.5 | Very high | 90.4 | Very high | 104 Ų | 104 | 59.4 Ų | 59.4 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.3 | -48.5 | 171.4 | -72.5 | -37.7 | 0 | 0 | 0 | 112.1 | S1409 F1411 M1415 Y1416 E1417 | S1409-D1413 PolarHBondContact O-N 3.36Å; F1411-D1413 VanDerWaalsContact C-N 3.31Å; F1411-D1413 PolarHBondContact O-N 3.13Å; D1413-M1415 PolarHBondContact O-N 3.28Å; D1413-Y1416 WeakPolarHBondContact O-CB 3.49Å; D1413-Y1416 PolarHBondContact O-N 2.92Å; D1413-Y1416 VanDerWaalsContact O-N 3.14Å; D1413-E1417 PolarHBondContact O-N 2.91Å |
| 1414 | I | 94.3 | Very high | 90.4 | Very high | 56 Ų | 56 | 58.4 Ų | 58.4 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 177.7 | -72.2 | 170.3 | 0 | 0 | 0 | 111.3 | W1403 V1405 L1410 F1411 Y1416 E1417 K1418 | W1403-I1414 HydrophobicContact CE3-CG2 4.4Å; V1405-I1414 HydrophobicContact CG2-CD1 3.68Å; L1410-I1414 HydrophobicContact CD2-CD1 3.64Å; L1410-I1414 HydrophobicContact CD2-CG1 4.38Å; L1410-I1414 WeakPolarHBondContact O-CB 3.37Å; L1410-I1414 VanDerWaalsContact O-CG1 3.28Å; L1410-I1414 WeakPolarHBondContact O-CG1 3.48Å; L1410-I1414 PolarHBondContact O-N 3.38Å; L1410-I1414 VanDerWaalsContact O-N 3.1Å; F1411-I1414 PolarHBondContact O-N 3.49Å; I1414-Y1416 VanDerWaalsContact C-N 3.31Å; I1414-Y1416 PolarHBondContact O-N 2.88Å; I1414-E1417 PolarHBondContact O-N 3.36Å; I1414-K1418 WeakPolarHBondContact O-CB 3.01Å; I1414-K1418 PolarHBondContact O-N 3.36Å |
| 1415 | M | 96 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -36 | 172.9 | -68.1 | -57.7 | 113.3 | 0 | 0 | 111.3 | V1215 M1219 P1261 W1403 F1411 D1412 D1413 K1418 S1419 | V1215-M1415 HydrophobicContact CG1-CB 4.13Å; V1215-M1415 HydrophobicContact CG1-CG 3.85Å; V1215-M1415 HydrophobicContact CG1-SD 4.28Å; M1219-M1415 HydrophobicContact CB-SD 3.73Å; M1219-M1415 HydrophobicContact CG-CB 4.18Å; M1219-M1415 HydrophobicContact CG-CG 4.39Å; M1219-M1415 HydrophobicContact CG-SD 3.61Å; P1261-M1415 HydrophobicContact CB-CB 3.83Å; P1261-M1415 WeakPolarHBondContact CB-O 3.44Å; P1261-M1415 HydrophobicContact CG-CB 3.82Å; W1403-M1415 HydrophobicContact CD2-CE 3.67Å; W1403-M1415 HydrophobicContact CE3-CE 4.26Å; W1403-M1415 HydrophobicContact CG-CE 3.93Å; W1403-M1415 HydrophobicContact CZ2-CE 4.04Å; F1411-M1415 HydrophobicContact CD1-CG 4.03Å; F1411-M1415 HydrophobicContact CD2-CE 4.3Å; F1411-M1415 HydrophobicContact CE1-CG 3.54Å; F1411-M1415 HydrophobicContact CE1-SD 4.48Å; F1411-M1415 HydrophobicContact CE2-CE 3.81Å; F1411-M1415 HydrophobicContact CE2-CG 4.09Å; F1411-M1415 HydrophobicContact CE2-SD 4.23Å; F1411-M1415 HydrophobicContact CG-CG 4.48Å; F1411-M1415 HydrophobicContact CZ-CE 4.11Å; F1411-M1415 HydrophobicContact CZ-CG 3.56Å; F1411-M1415 HydrophobicContact CZ-SD 3.91Å; F1411-M1415 VanDerWaalsContact O-CG 3.3Å; F1411-M1415 WeakPolarHBondContact O-CG 3.06Å; F1411-M1415 PolarHBondContact O-N 3.49Å; D1412-M1415 PolarHBondContact O-N 3.46Å; D1413-M1415 PolarHBondContact O-N 3.28Å; M1415-K1418 PolarHBondContact O-N 3.19Å; M1415-S1419 WeakPolarHBondContact O-CB 3.33Å; M1415-S1419 PolarHBondContact O-N 3.08Å |
| 1416 | Y | 94.9 | Very high | 89.4 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 35% | 0.345 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | 176.9 | -165.9 | -89.1 | 0 | 0 | 0 | 112 | D1412 D1413 I1414 K1418 S1419 L1420 | D1412-Y1416 VanDerWaalsContact O-CB 3.31Å; D1412-Y1416 WeakPolarHBondContact O-CB 3.44Å; D1412-Y1416 PolarHBondContact O-N 3Å; D1413-Y1416 WeakPolarHBondContact O-CB 3.49Å; D1413-Y1416 PolarHBondContact O-N 2.92Å; D1413-Y1416 VanDerWaalsContact O-N 3.14Å; I1414-Y1416 VanDerWaalsContact C-N 3.31Å; I1414-Y1416 PolarHBondContact O-N 2.88Å; Y1416-K1418 VanDerWaalsContact C-N 3.34Å; Y1416-K1418 PolarHBondContact O-N 2.9Å; Y1416-S1419 WeakPolarHBondContact O-CB 3.17Å; Y1416-S1419 PolarHBondContact O-N 3.4Å; Y1416-L1420 HydrophobicContact CD1-CD1 3.8Å; Y1416-L1420 HydrophobicContact CD1-CG 4.2Å; Y1416-L1420 HydrophobicContact CE1-CD1 3.73Å; Y1416-L1420 HydrophobicContact CE1-CD2 4.41Å; Y1416-L1420 HydrophobicContact CE1-CG 4.04Å; Y1416-L1420 WeakPolarHBondContact O-CG 3.46Å; Y1416-L1420 PolarHBondContact O-N 2.93Å |
| 1417 | E | 93.7 | Very high | 88.6 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 168.2 | -85.9 | -146 | 170.6 | 0 | 0 | 111.9 | D1413 I1414 S1419 L1420 K1421 | D1413-E1417 PolarHBondContact O-N 2.91Å; I1414-E1417 PolarHBondContact O-N 3.36Å; E1417-S1419 VanDerWaalsContact C-N 3.31Å; E1417-S1419 PolarHBondContact O-N 3.15Å; E1417-L1420 WeakPolarHBondContact O-CB 3.1Å; E1417-L1420 PolarHBondContact O-N 2.81Å; E1417-K1421 WeakPolarHBondContact O-CD 3.12Å; E1417-K1421 VanDerWaalsContact O-CG 3.31Å; E1417-K1421 WeakPolarHBondContact O-CG 3.07Å; E1417-K1421 PolarHBondContact O-N 3.07Å; E1417-K1421 WeakPolarHBondContact OE2-CE 3.48Å; E1417-K1421 IonicContact OE2-NZ 3.78Å; E1417-K1421 PolarHBondContact OE2-NZ 2.99Å |
| 1418 | K | 93.5 | Very high | 87.3 | Confident | 35 Ų | 35 | 67.9 Ų | 67.9 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 178.7 | -169.6 | 161.6 | -170.7 | 176.6 | 0 | 111.3 | M1219 E1222 W1403 I1414 M1415 Y1416 K1421 I1422 | M1219-K1418 HydrophobicContact CB-CD 4.31Å; M1219-K1418 HydrophobicContact CB-CG 4.47Å; M1219-K1418 WeakPolarHBondContact O-CD 3.36Å; M1219-K1418 WeakPolarHBondContact O-CE 3.38Å; M1219-K1418 PolarHBondContact O-NZ 3.4Å; E1222-K1418 WeakPolarHBondContact OE1-CE 3.12Å; E1222-K1418 IonicContact OE1-NZ 3.15Å; E1222-K1418 PolarHBondContact OE1-NZ 2.89Å; W1403-K1418 HydrophobicContact CH2-CD 4.15Å; I1414-K1418 WeakPolarHBondContact O-CB 3.01Å; I1414-K1418 PolarHBondContact O-N 3.36Å; M1415-K1418 PolarHBondContact O-N 3.19Å; Y1416-K1418 VanDerWaalsContact C-N 3.34Å; Y1416-K1418 PolarHBondContact O-N 2.9Å; K1418-K1421 PolarHBondContact O-N 3.48Å; K1418-I1422 HydrophobicContact CG-CD1 3.97Å; K1418-I1422 HydrophobicContact CG-CG1 4.46Å; K1418-I1422 WeakPolarHBondContact O-CB 3.3Å; K1418-I1422 VanDerWaalsContact O-CG1 3.26Å; K1418-I1422 WeakPolarHBondContact O-CG1 3.35Å; K1418-I1422 PolarHBondContact O-N 2.87Å |
| 1419 | S | 95.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60 | -44.5 | 171.3 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | P1261 R1264 L1265 M1415 Y1416 E1417 I1422 Q1423 | P1261-S1419 WeakPolarHBondContact O-CB 3.44Å; P1261-S1419 PolarHBondContact O-OG 3.31Å; R1264-S1419 VanDerWaalsContact CD-OG 3.26Å; R1264-S1419 WeakPolarHBondContact CD-OG 3.42Å; R1264-S1419 VanDerWaalsContact CG-OG 3.23Å; R1264-S1419 WeakPolarHBondContact CG-OG 3.3Å; R1264-S1419 PolarHBondContact NH1-O 3.31Å; R1264-S1419 PolarHBondContact NH1-OG 3.28Å; L1265-S1419 VanDerWaalsContact CD2-OG 3.28Å; L1265-S1419 WeakPolarHBondContact CD2-OG 3.43Å; M1415-S1419 WeakPolarHBondContact O-CB 3.33Å; M1415-S1419 PolarHBondContact O-N 3.08Å; Y1416-S1419 WeakPolarHBondContact O-CB 3.17Å; Y1416-S1419 PolarHBondContact O-N 3.4Å; E1417-S1419 VanDerWaalsContact C-N 3.31Å; E1417-S1419 PolarHBondContact O-N 3.15Å; S1419-I1422 PolarHBondContact O-N 2.89Å; S1419-Q1423 PolarHBondContact O-N 3.24Å |
| 1420 | L | 92.2 | Very high | 83.8 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 174.6 | -74.4 | 167.4 | 0 | 0 | 0 | 112.1 | Y1416 E1417 I1422 Q1423 P1424 K1425 | Y1416-L1420 HydrophobicContact CD1-CD1 3.8Å; Y1416-L1420 HydrophobicContact CD1-CG 4.2Å; Y1416-L1420 HydrophobicContact CE1-CD1 3.73Å; Y1416-L1420 HydrophobicContact CE1-CD2 4.41Å; Y1416-L1420 HydrophobicContact CE1-CG 4.04Å; Y1416-L1420 WeakPolarHBondContact O-CG 3.46Å; Y1416-L1420 PolarHBondContact O-N 2.93Å; E1417-L1420 WeakPolarHBondContact O-CB 3.1Å; E1417-L1420 PolarHBondContact O-N 2.81Å; L1420-I1422 VanDerWaalsContact C-N 3.34Å; L1420-Q1423 CarbonylContact O-C 3.54Å; L1420-P1424 WeakPolarHBondContact O-CA 3.39Å; L1420-P1424 VanDerWaalsContact O-N 3.15Å; L1420-K1425 HydrophobicContact CD2-CD 4.49Å; L1420-K1425 HydrophobicContact CD2-CG 4.08Å |
| 1421 | K | 90.2 | Very high | 81.6 | Confident | 126 Ų | 126 | 77.8 Ų | 77.8 | 55% | 0.548 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 175.5 | -68.1 | 160.2 | -168.7 | 166.8 | 0 | 111.4 | E1417 K1418 R1435 | E1417-K1421 WeakPolarHBondContact O-CD 3.12Å; E1417-K1421 VanDerWaalsContact O-CG 3.31Å; E1417-K1421 WeakPolarHBondContact O-CG 3.07Å; E1417-K1421 PolarHBondContact O-N 3.07Å; E1417-K1421 WeakPolarHBondContact OE2-CE 3.48Å; E1417-K1421 IonicContact OE2-NZ 3.78Å; E1417-K1421 PolarHBondContact OE2-NZ 2.99Å; K1418-K1421 PolarHBondContact O-N 3.48Å; K1421-R1435 PolarHBondContact O-NH2 3.05Å |
| 1422 | I | 90.3 | Very high | 79.7 | Confident | 6 Ų | 6 | 82.7 Ų | 82.7 | 3% | 0.031 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.8 | -49.6 | 178.2 | -74.7 | 168.4 | 0 | 0 | 0 | 111.7 | M1219 E1222 R1227 L1265 K1418 S1419 L1420 R1435 | M1219-I1422 VanDerWaalsContact O-CD1 3.29Å; M1219-I1422 WeakPolarHBondContact O-CD1 3.46Å; E1222-I1422 HydrophobicContact CB-CG1 4.31Å; E1222-I1422 HydrophobicContact CG-CD1 4.19Å; E1222-I1422 HydrophobicContact CG-CG1 4.16Å; R1227-I1422 VanDerWaalsContact CZ-CG2 3.41Å; L1265-I1422 HydrophobicContact CD2-CG2 4.19Å; K1418-I1422 HydrophobicContact CG-CD1 3.97Å; K1418-I1422 HydrophobicContact CG-CG1 4.46Å; K1418-I1422 WeakPolarHBondContact O-CB 3.3Å; K1418-I1422 VanDerWaalsContact O-CG1 3.26Å; K1418-I1422 WeakPolarHBondContact O-CG1 3.35Å; K1418-I1422 PolarHBondContact O-N 2.87Å; S1419-I1422 PolarHBondContact O-N 2.89Å; L1420-I1422 VanDerWaalsContact C-N 3.34Å; I1422-R1435 PolarHBondContact O-NH1 2.91Å |
| 1423 | Q | 89.5 | Confident | 78.1 | Confident | 8 Ų | 8 | 85.6 Ų | 85.6 | 4% | 0.037 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -134.8 | 101.5 | 176.8 | -80.6 | 174.3 | -8.7 | 0 | 0 | 109.9 | R1264 L1265 E1267 T1268 S1419 L1420 | R1264-Q1423 PolarHBondContact NH1-O 2.96Å; R1264-Q1423 PolarHBondContact NH2-O 2.94Å; L1265-Q1423 VanDerWaalsContact C-OE1 3.23Å; L1265-Q1423 HydrophobicContact CD2-CB 3.87Å; L1265-Q1423 HydrophobicContact CD2-CG 4.24Å; E1267-Q1423 HydrophobicContact CG-CG 4.35Å; E1267-Q1423 VanDerWaalsContact OE2-CD 3.25Å; E1267-Q1423 WeakPolarHBondContact OE2-CG 3.38Å; E1267-Q1423 PolarHBondContact OE2-NE2 3.05Å; T1268-Q1423 PolarHBondContact OG1-NE2 3.42Å; S1419-Q1423 PolarHBondContact O-N 3.24Å; L1420-Q1423 CarbonylContact O-C 3.54Å |
| 1424 | P | 86 | Confident | 76.6 | Confident | 60 Ų | 60 | 86.6 Ų | 86.6 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | trans | -60.6 | 174.3 | 178.5 | -26.6 | 36.2 | 0 | 0 | 0 | 114.3 | L1420 D1428 | L1420-P1424 WeakPolarHBondContact O-CA 3.39Å; L1420-P1424 VanDerWaalsContact O-N 3.15Å; P1424-D1428 HydrophobicContact CB-CB 4.15Å | ||
| 1425 | K | 82.2 | Confident | 75.6 | Confident | 116 Ų | 116 | 88 Ų | 88 | 50% | 0.504 | 46% | 0.457 | S | S | . | . | trans | -75.7 | 155.6 | 170 | -62 | 176.1 | -179.3 | 175.3 | 0 | 109.2 | L1420 S1427 D1428 | L1420-K1425 HydrophobicContact CD2-CD 4.49Å; L1420-K1425 HydrophobicContact CD2-CG 4.08Å; K1425-S1427 PolarHBondContact O-N 3.18Å; K1425-D1428 WeakPolarHBondContact CB-OD2 3.45Å; K1425-D1428 PolarHBondContact N-OD2 3.45Å; K1425-D1428 PolarHBondContact O-N 3.36Å | ||
| 1426 | R | 71.7 | Confident | 74.7 | Confident | 225 Ų | 225 | 96 Ų | 96 | 85% | 0.849 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -10.1 | -175.6 | -73.9 | -178 | 175.4 | 143.2 | -0.5 | 115 | ||
| 1427 | S | 63.4 | Low | 74.2 | Confident | 93 Ų | 93 | 96.4 Ų | 96.4 | 65% | 0.65 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -23.1 | 173 | 42.9 | 0 | 0 | 0 | 0 | 114.2 | K1425 | K1425-S1427 PolarHBondContact O-N 3.18Š|
| 1428 | D | 58.4 | Low | 73.8 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | trans | -108.6 | 13.7 | -157.5 | -43.2 | -29.4 | 0 | 0 | 0 | 112.9 | P1424 K1425 F1430 | P1424-D1428 HydrophobicContact CB-CB 4.15Å; K1425-D1428 WeakPolarHBondContact CB-OD2 3.45Å; K1425-D1428 PolarHBondContact N-OD2 3.45Å; K1425-D1428 PolarHBondContact O-N 3.36Å; D1428-F1430 PolarHBondContact O-N 3.27Å | ||
| 1429 | S | 53 | Low | 73.6 | Confident | 101 Ų | 101 | 96 Ų | 96 | 71% | 0.706 | 50% | 0.498 | S | S | * | . | trans | -79.9 | 72.3 | -163.8 | 63.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1430 | F | 46.3 | Very low | 73.4 | Confident | 191 Ų | 191 | 102.1 Ų | 102.1 | 84% | 0.838 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -107.5 | 117.7 | 168 | -73.3 | -80.8 | 0 | 0 | 0 | 111.8 | D1428 | D1428-F1430 PolarHBondContact O-N 3.27Š|
| 1431 | C | 43.3 | Very low | 73.1 | Confident | 127 Ų | 127 | 104.3 Ų | 104.3 | 86% | 0.858 | 54% | 0.542 | S | S | * | . | trans | 40.2 | 74.2 | 165 | -156.2 | 0 | 0 | 0 | 0 | 116.7 | V1433 | C1431-V1433 PolarHBondContact O-N 2.84Š| ||
| 1432 | T | 55.5 | Low | 73.1 | Confident | 103 Ų | 103 | 99.4 Ų | 99.4 | 63% | 0.632 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 118.3 | 167.5 | 25.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1433 | V | 57.5 | Low | 73.1 | Confident | 116 Ų | 116 | 99.5 Ų | 99.5 | 70% | 0.703 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 135.8 | 173.5 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | C1431 R1435 | C1431-V1433 PolarHBondContact O-N 2.84Å; V1433-R1435 PolarHBondContact O-N 2.63Å; V1433-R1435 VanDerWaalsContact O-N 3.14Å |
| 1434 | P | 61 | Low | 73.2 | Confident | 124 Ų | 124 | 101.5 Ų | 101.5 | 81% | 0.805 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 118.1 | 172.6 | -23.7 | 34.2 | 0 | 0 | 0 | 110.8 | ||
| 1435 | R | 74.2 | Confident | 73.4 | Confident | 85 Ų | 85 | 103.6 Ų | 103.6 | 32% | 0.321 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 135.1 | 177.2 | -62 | -171.9 | 174.4 | 110 | 3.8 | 110.3 | E1222 H1223 K1421 I1422 V1433 | E1222-R1435 VanDerWaalsContact CB-CD 3.49Å; E1222-R1435 IonicContact OE2-NE 3.87Å; E1222-R1435 PolarHBondContact OE2-NE 2.99Å; H1223-R1435 PolarHBondContact CD2-O 3.41Å; K1421-R1435 PolarHBondContact O-NH2 3.05Å; I1422-R1435 PolarHBondContact O-NH1 2.91Å; V1433-R1435 PolarHBondContact O-N 2.63Å; V1433-R1435 VanDerWaalsContact O-N 3.14Å |
| 1436 | E | 77.1 | Confident | 73.9 | Confident | 170 Ų | 170 | 98.3 Ų | 98.3 | 79% | 0.794 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 164 | 175.6 | -60.8 | -166.3 | 151 | 0 | 0 | 112.1 | ||
| 1437 | R | 84.3 | Confident | 74.8 | Confident | 95 Ų | 95 | 87.7 Ų | 87.7 | 36% | 0.358 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 129.7 | 178.5 | -59.9 | -167.6 | 70.5 | 149.1 | 9.8 | 110.2 | E1225 D1226 | E1225-R1437 IonicContact OE2-CZ 3.73Å; E1225-R1437 VanDerWaalsContact OE2-CZ 3.31Å; E1225-R1437 IonicContact OE2-NH1 2.7Å; E1225-R1437 PolarHBondContact OE2-NH1 3.12Å; E1225-R1437 IonicContact OE2-NH2 3.8Å; D1226-R1437 IonicContact OD1-CZ 3.53Å; D1226-R1437 IonicContact OD1-NE 2.88Å; D1226-R1437 PolarHBondContact OD1-NE 2.83Å; D1226-R1437 IonicContact OD1-NH2 3.15Å; D1226-R1437 PolarHBondContact OD1-NH2 3.04Å; D1226-R1437 WeakPolarHBondContact OD2-CA 3.34Å |
| 1438 | N | 85 | Confident | 76.1 | Confident | 112 Ų | 112 | 85.9 Ų | 85.9 | 60% | 0.599 | 46% | 0.464 | S | S | * | . | trans | -91.8 | -17.6 | -178.1 | -70.5 | -14.8 | 0 | 0 | 0 | 112.5 | D1226 | D1226-N1438 PolarHBondContact OD2-N 2.91Š| ||
| 1439 | L | 89.5 | Confident | 77.7 | Confident | 21 Ų | 21 | 82.4 Ų | 82.4 | 11% | 0.11 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -78.4 | 133.1 | 178.1 | -65.1 | -179.5 | 0 | 0 | 0 | 112 | T1162 D1226 V1229 E1443 I1444 | T1162-L1439 HydrophobicContact CG2-CD2 3.9Å; D1226-L1439 HydrophobicContact CB-CD1 3.88Å; D1226-L1439 HydrophobicContact CB-CG 4Å; D1226-L1439 PolarHBondContact OD2-N 3.35Å; V1229-L1439 HydrophobicContact CB-CD1 4.08Å; V1229-L1439 HydrophobicContact CG1-CD1 3.88Å; L1439-E1443 HydrophobicContact CB-CB 4.33Å; L1439-E1443 HydrophobicContact CD2-CB 4.49Å; L1439-I1444 HydrophobicContact CB-CD1 4.24Å; L1439-I1444 HydrophobicContact CB-CG1 3.69Å; L1439-I1444 WeakPolarHBondContact O-CD1 3.49Å |
| 1440 | K | 89.8 | Confident | 79.5 | Confident | 130 Ų | 130 | 78.6 Ų | 78.6 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | trans | -63.2 | 152.6 | 176.2 | -63.9 | 172.1 | -179.6 | 176.9 | 0 | 110.7 | V1442 E1443 I1444 | K1440-V1442 HydrophobicContact CB-CG1 4.15Å; K1440-V1442 PolarHBondContact O-N 2.85Å; K1440-E1443 HydrophobicContact CB-CG 4.22Å; K1440-E1443 VanDerWaalsContact CB-OE2 3.23Å; K1440-E1443 WeakPolarHBondContact CB-OE2 3.4Å; K1440-E1443 VanDerWaalsContact CG-OE2 3.29Å; K1440-E1443 WeakPolarHBondContact CG-OE2 3.37Å; K1440-E1443 PolarHBondContact N-OE2 3.44Å; K1440-E1443 WeakPolarHBondContact O-CB 3.49Å; K1440-E1443 PolarHBondContact O-N 2.99Å; K1440-I1444 PolarHBondContact O-N 3.48Å | ||
| 1441 | P | 87.5 | Confident | 81.6 | Confident | 94 Ų | 94 | 70.8 Ų | 70.8 | 61% | 0.61 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -56.7 | -22.3 | 178 | -27.9 | 35.9 | 0 | 0 | 0 | 115.5 | K1445 | P1441-K1445 WeakPolarHBondContact O-CG 3.4Å |
| 1442 | V | 89.1 | Confident | 83.7 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -76.4 | -44 | 172 | 68.5 | 0 | 0 | 0 | 0 | 112 | K1440 I1444 K1445 I1446 I1473 V1476 T1477 | K1440-V1442 HydrophobicContact CB-CG1 4.15Å; K1440-V1442 PolarHBondContact O-N 2.85Å; V1442-I1444 PolarHBondContact O-N 2.88Å; V1442-K1445 PolarHBondContact O-N 3.44Å; V1442-K1445 VanDerWaalsContact O-N 3.16Å; V1442-I1446 HydrophobicContact CG2-CD1 4.04Å; V1442-I1446 WeakPolarHBondContact O-CG1 3.44Å; V1442-I1446 PolarHBondContact O-N 2.87Å; V1442-I1473 HydrophobicContact CG2-CG2 4.37Å; V1442-V1476 HydrophobicContact CB-CG1 3.85Å; V1442-V1476 HydrophobicContact CG2-CB 4.33Å; V1442-V1476 HydrophobicContact CG2-CG1 4.1Å; V1442-T1477 HydrophobicContact CG2-CG2 4.48Å |
| 1443 | E | 91.7 | Very high | 85.1 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 178.1 | -64.7 | 174.8 | 104.6 | 0 | 0 | 111.3 | T1162 L1439 K1440 K1445 I1446 A1447 | T1162-E1443 VanDerWaalsContact CB-OE1 3.31Å; T1162-E1443 WeakPolarHBondContact CB-OE1 3.21Å; T1162-E1443 PolarHBondContact OG1-OE1 3.21Å; L1439-E1443 HydrophobicContact CB-CB 4.33Å; L1439-E1443 HydrophobicContact CD2-CB 4.49Å; K1440-E1443 HydrophobicContact CB-CG 4.22Å; K1440-E1443 VanDerWaalsContact CB-OE2 3.23Å; K1440-E1443 WeakPolarHBondContact CB-OE2 3.4Å; K1440-E1443 VanDerWaalsContact CG-OE2 3.29Å; K1440-E1443 WeakPolarHBondContact CG-OE2 3.37Å; K1440-E1443 PolarHBondContact N-OE2 3.44Å; K1440-E1443 WeakPolarHBondContact O-CB 3.49Å; K1440-E1443 PolarHBondContact O-N 2.99Å; E1443-K1445 VanDerWaalsContact C-N 3.28Å; E1443-K1445 PolarHBondContact O-N 3.48Å; E1443-I1446 PolarHBondContact O-N 2.9Å; E1443-A1447 WeakPolarHBondContact O-CB 3.25Å; E1443-A1447 PolarHBondContact O-N 3.2Å |
| 1444 | I | 90.8 | Very high | 86.5 | Confident | 50 Ų | 50 | 69.9 Ų | 69.9 | 26% | 0.256 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 175.5 | -63.5 | 173.6 | 0 | 0 | 0 | 111.1 | L1439 K1440 V1442 A1448 | L1439-I1444 HydrophobicContact CB-CD1 4.24Å; L1439-I1444 HydrophobicContact CB-CG1 3.69Å; L1439-I1444 WeakPolarHBondContact O-CD1 3.49Å; K1440-I1444 PolarHBondContact O-N 3.48Å; V1442-I1444 PolarHBondContact O-N 2.88Å; I1444-A1448 VanDerWaalsContact O-CB 3.3Å; I1444-A1448 WeakPolarHBondContact O-CB 3.19Å; I1444-A1448 PolarHBondContact O-N 2.94Å |
| 1445 | K | 90.4 | Very high | 87.9 | Confident | 105 Ų | 105 | 65 Ų | 65 | 46% | 0.457 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -76.5 | -35.5 | 179.1 | -75.9 | 177.9 | 175.4 | -177.7 | 0 | 113.2 | P1441 V1442 E1443 A1448 A1449 I1472 V1476 | P1441-K1445 WeakPolarHBondContact O-CG 3.4Å; V1442-K1445 PolarHBondContact O-N 3.44Å; V1442-K1445 VanDerWaalsContact O-N 3.16Å; E1443-K1445 VanDerWaalsContact C-N 3.28Å; E1443-K1445 PolarHBondContact O-N 3.48Å; K1445-A1448 PolarHBondContact O-N 2.75Å; K1445-A1449 WeakPolarHBondContact O-CB 3.42Å; K1445-A1449 PolarHBondContact O-N 2.67Å; K1445-I1472 HydrophobicContact CB-CG2 4.23Å; K1445-V1476 HydrophobicContact CD-CB 4.49Å; K1445-V1476 HydrophobicContact CD-CG1 4.3Å; K1445-V1476 HydrophobicContact CD-CG2 3.35Å |
| 1446 | I | 91.5 | Very high | 88.7 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 171.2 | -69.3 | 164.6 | 0 | 0 | 0 | 109.8 | F1150 L1152 V1442 E1443 A1448 A1449 L1450 I1473 | F1150-I1446 HydrophobicContact CD2-CD1 4.38Å; F1150-I1446 HydrophobicContact CD2-CG2 4.46Å; F1150-I1446 HydrophobicContact CE2-CG2 3.64Å; F1150-I1446 HydrophobicContact CZ-CG2 3.94Å; L1152-I1446 HydrophobicContact CD1-CD1 3.48Å; L1152-I1446 VanDerWaalsContact CD1-CD1 3.48Å; V1442-I1446 HydrophobicContact CG2-CD1 4.04Å; V1442-I1446 WeakPolarHBondContact O-CG1 3.44Å; V1442-I1446 PolarHBondContact O-N 2.87Å; E1443-I1446 PolarHBondContact O-N 2.9Å; I1446-A1448 PolarHBondContact O-N 2.95Å; I1446-A1449 PolarHBondContact O-N 3.35Å; I1446-A1449 VanDerWaalsContact O-N 3.14Å; I1446-L1450 HydrophobicContact CG2-CD1 3.73Å; I1446-L1450 HydrophobicContact CG2-CG 4.34Å; I1446-L1450 WeakPolarHBondContact O-CG 3.39Å; I1446-L1450 PolarHBondContact O-N 2.88Å; I1446-I1473 HydrophobicContact CD1-CD1 3.65Å; I1446-I1473 HydrophobicContact CD1-CG1 3.79Å; I1446-I1473 HydrophobicContact CG1-CD1 3.85Å; I1446-I1473 HydrophobicContact CG1-CG1 3.65Å |
| 1447 | A | 91.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V1229 E1443 A1449 L1450 N1451 | V1229-A1447 HydrophobicContact CB-CB 4.28Å; V1229-A1447 HydrophobicContact CG1-CB 3.45Å; V1229-A1447 VanDerWaalsContact CG1-CB 3.45Å; V1229-A1447 HydrophobicContact CG2-CB 3.79Å; E1443-A1447 WeakPolarHBondContact O-CB 3.25Å; E1443-A1447 PolarHBondContact O-N 3.2Å; A1447-A1449 VanDerWaalsContact C-N 3.3Å; A1447-A1449 PolarHBondContact O-N 3.46Å; A1447-L1450 PolarHBondContact O-N 3.44Å; A1447-N1451 WeakPolarHBondContact O-CB 3.43Å; A1447-N1451 PolarHBondContact O-N 2.99Å; A1447-N1451 PolarHBondContact O-ND2 3.03Å; A1447-N1451 PolarHBondContact O-OD1 3.09Å |
| 1448 | A | 90.9 | Very high | 89.2 | Confident | 56 Ų | 56 | 63 Ų | 63 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.6 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | I1444 K1445 I1446 L1452 | I1444-A1448 VanDerWaalsContact O-CB 3.3Å; I1444-A1448 WeakPolarHBondContact O-CB 3.19Å; I1444-A1448 PolarHBondContact O-N 2.94Å; K1445-A1448 PolarHBondContact O-N 2.75Å; I1446-A1448 PolarHBondContact O-N 2.95Å; A1448-L1452 WeakPolarHBondContact O-CG 3.44Å |
| 1449 | A | 90.8 | Very high | 89.4 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 12% | 0.116 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.8 | -48.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1445 I1446 A1447 N1451 L1452 L1469 I1472 | K1445-A1449 WeakPolarHBondContact O-CB 3.42Å; K1445-A1449 PolarHBondContact O-N 2.67Å; I1446-A1449 PolarHBondContact O-N 3.35Å; I1446-A1449 VanDerWaalsContact O-N 3.14Å; A1447-A1449 VanDerWaalsContact C-N 3.3Å; A1447-A1449 PolarHBondContact O-N 3.46Å; A1449-N1451 VanDerWaalsContact C-N 3.31Å; A1449-N1451 PolarHBondContact O-N 3.15Å; A1449-L1452 WeakPolarHBondContact O-CB 3.28Å; A1449-L1452 PolarHBondContact O-N 3.31Å; A1449-L1452 VanDerWaalsContact O-N 3.16Å; A1449-L1469 HydrophobicContact CB-CD1 4.45Å; A1449-L1469 HydrophobicContact CB-CG 4.47Å; A1449-I1472 HydrophobicContact CB-CD1 3.91Å |
| 1450 | L | 91 | Very high | 89.4 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 12% | 0.115 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 177.3 | -69.4 | 170 | 0 | 0 | 0 | 111.1 | F1150 P1166 I1446 A1447 L1452 V1453 L1469 | F1150-L1450 HydrophobicContact CZ-CD1 4.37Å; P1166-L1450 HydrophobicContact CG-CD1 4.21Å; I1446-L1450 HydrophobicContact CG2-CD1 3.73Å; I1446-L1450 HydrophobicContact CG2-CG 4.34Å; I1446-L1450 WeakPolarHBondContact O-CG 3.39Å; I1446-L1450 PolarHBondContact O-N 2.88Å; A1447-L1450 PolarHBondContact O-N 3.44Å; L1450-L1452 PolarHBondContact O-N 3.06Å; L1450-V1453 PolarHBondContact O-N 3.29Å; L1450-L1469 HydrophobicContact CD2-CD1 3.44Å; L1450-L1469 VanDerWaalsContact CD2-CD1 3.44Å; L1450-L1469 HydrophobicContact CG-CD1 3.76Å |
| 1451 | N | 91 | Very high | 89.2 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -6.8 | 178.9 | -73.1 | -7.2 | 0 | 0 | 0 | 114.9 | Q1232 R1233 K1277 Y1280 A1447 A1449 | Q1232-N1451 PolarHBondContact OE1-ND2 3.26Å; Q1232-N1451 PolarHBondContact OE1-OD1 3.32Å; R1233-N1451 PolarHBondContact NH2-OD1 3.28Å; K1277-N1451 WeakPolarHBondContact CG-O 3.34Å; Y1280-N1451 HydrophobicContact CE2-CB 4.31Å; Y1280-N1451 WeakPolarHBondContact CE2-OD1 3.26Å; A1447-N1451 WeakPolarHBondContact O-CB 3.43Å; A1447-N1451 PolarHBondContact O-N 2.99Å; A1447-N1451 PolarHBondContact O-ND2 3.03Å; A1447-N1451 PolarHBondContact O-OD1 3.09Å; A1449-N1451 VanDerWaalsContact C-N 3.31Å; A1449-N1451 PolarHBondContact O-N 3.15Å |
| 1452 | L | 88 | Confident | 89.1 | Confident | 117 Ų | 117 | 56 Ų | 56 | 61% | 0.613 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -24.2 | 176 | -71 | 170.4 | 0 | 0 | 0 | 113.4 | A1448 A1449 L1450 | A1448-L1452 WeakPolarHBondContact O-CG 3.44Å; A1449-L1452 WeakPolarHBondContact O-CB 3.28Å; A1449-L1452 PolarHBondContact O-N 3.31Å; A1449-L1452 VanDerWaalsContact O-N 3.16Å; L1450-L1452 PolarHBondContact O-N 3.06Å |
| 1453 | V | 85.4 | Confident | 89.1 | Confident | 78 Ų | 78 | 56 Ų | 56 | 47% | 0.473 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -114.2 | 152.6 | -172.2 | -164.4 | 0 | 0 | 0 | 0 | 109 | H1279 L1450 | H1279-V1453 PolarHBondContact CE1-O 3.29Å; L1450-V1453 PolarHBondContact O-N 3.29Å |
| 1454 | Q | 86.7 | Confident | 88.9 | Confident | 133 Ų | 133 | 65.3 Ų | 65.3 | 62% | 0.621 | 34% | 0.339 | S | S | * | . | trans | -71.8 | 148.1 | 166.7 | -84.9 | 179.4 | -25.8 | 0 | 0 | 110 | H1279 D1456 | H1279-Q1454 HydrophobicContact CB-CG 3.68Å; H1279-Q1454 WeakPolarHBondContact ND1-CG 3.4Å; Q1454-D1456 PolarHBondContact O-N 2.91Å | ||
| 1455 | P | 89.4 | Confident | 88.7 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 14% | 0.143 | 35% | 0.35 | C | S | . | . | trans | -53.7 | 119.8 | 169 | -29.5 | 38.4 | 0 | 0 | 0 | 111.9 | D1236 I1239 Y1240 | D1236-P1455 VanDerWaalsContact OD1-CG 3.29Å; D1236-P1455 WeakPolarHBondContact OD1-CG 3.49Å; I1239-P1455 HydrophobicContact CB-CB 4.5Å; I1239-P1455 HydrophobicContact CD1-CG 4.11Å; I1239-P1455 HydrophobicContact CG2-CB 3.92Å; I1239-P1455 HydrophobicContact CG2-CG 4.43Å; Y1240-P1455 HydrophobicContact CE1-CB 3.9Å; Y1240-P1455 HydrophobicContact CE2-CB 3.97Å; Y1240-P1455 WeakPolarHBondContact OH-CA 2.8Å | ||
| 1456 | D | 90.2 | Very high | 88.7 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | trans | -112.9 | 110.9 | 176.7 | -179.8 | 8.5 | 0 | 0 | 0 | 109.9 | Y1240 Q1454 K1458 L1459 | Y1240-D1456 PolarHBondContact OH-N 3.06Å; Q1454-D1456 PolarHBondContact O-N 2.91Å; D1456-K1458 PolarHBondContact O-N 2.89Å; D1456-K1458 WeakPolarHBondContact OD1-CB 3.15Å; D1456-K1458 PolarHBondContact OD1-N 3.22Å; D1456-L1459 WeakPolarHBondContact O-CB 3.35Å; D1456-L1459 PolarHBondContact O-N 2.69Å | ||
| 1457 | P | 86.1 | Confident | 88.6 | Confident | 58 Ų | 58 | 69 Ų | 69 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -10.3 | 179.6 | 30.7 | -36.9 | 0 | 0 | 0 | 113.8 | Y1240 S1243 | Y1240-P1457 HydrophobicContact CD1-CB 4.4Å; S1243-P1457 VanDerWaalsContact OG-CB 3.26Å; S1243-P1457 WeakPolarHBondContact OG-CB 3.47Å |
| 1458 | K | 87 | Confident | 88.5 | Confident | 175 Ų | 175 | 71.8 Ų | 71.8 | 76% | 0.761 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 5 | 177.8 | -58.7 | -175.9 | -180 | 179.3 | 0 | 113.6 | D1456 T1460 | D1456-K1458 PolarHBondContact O-N 2.89Å; D1456-K1458 WeakPolarHBondContact OD1-CB 3.15Å; D1456-K1458 PolarHBondContact OD1-N 3.22Å; K1458-T1460 PolarHBondContact O-N 3.04Å |
| 1459 | L | 89.3 | Confident | 88.4 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | trans | -60.4 | 129.9 | 179.7 | -165.4 | 76.3 | 0 | 0 | 0 | 111.9 | L1148 L1167 R1171 D1456 S1463 E1465 F1466 | L1148-L1459 HydrophobicContact CD1-CB 4.41Å; L1148-L1459 HydrophobicContact CD1-CD2 4.12Å; L1148-L1459 HydrophobicContact CD1-CG 4.43Å; L1167-L1459 HydrophobicContact CD2-CB 4.11Å; R1171-L1459 PolarHBondContact NH2-O 3.47Å; D1456-L1459 WeakPolarHBondContact O-CB 3.35Å; D1456-L1459 PolarHBondContact O-N 2.69Å; L1459-S1463 VanDerWaalsContact CD1-CB 3.41Å; L1459-E1465 HydrophobicContact CD1-CB 4.13Å; L1459-F1466 HydrophobicContact CD2-CB 4.32Å; L1459-F1466 HydrophobicContact CD2-CD2 4.4Å; L1459-F1466 HydrophobicContact CG-CB 4.43Å | ||
| 1460 | T | 88.9 | Confident | 88.3 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | trans | -116.7 | 166 | 175.4 | 65.6 | 0 | 0 | 0 | 0 | 110.7 | L1148 K1458 D1462 S1463 | L1148-T1460 VanDerWaalsContact CD2-C 3.48Å; K1458-T1460 PolarHBondContact O-N 3.04Å; T1460-D1462 PolarHBondContact O-N 3.43Å; T1460-D1462 PolarHBondContact OG1-N 3.02Å; T1460-S1463 PolarHBondContact N-OG 3.49Å; T1460-S1463 VanDerWaalsContact O-CB 3.24Å; T1460-S1463 WeakPolarHBondContact O-CB 3.47Å; T1460-S1463 PolarHBondContact O-N 3.22Å; T1460-S1463 PolarHBondContact O-OG 3.38Å; T1460-S1463 PolarHBondContact OG1-N 2.95Å; T1460-S1463 PolarHBondContact OG1-OG 3.25Å | ||
| 1461 | A | 86.7 | Confident | 88.1 | Confident | 19 Ų | 19 | 77 Ų | 77 | 16% | 0.157 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1146 L1148 S1463 F1466 R1467 | E1146-A1461 HydrophobicContact CB-CB 4.48Å; E1146-A1461 HydrophobicContact CG-CB 4.13Å; E1146-A1461 WeakPolarHBondContact OE2-CB 3.4Å; L1148-A1461 HydrophobicContact CD2-CB 4.4Å; A1461-S1463 VanDerWaalsContact C-N 3.35Å; A1461-F1466 HydrophobicContact CB-CD1 4.36Å; A1461-F1466 HydrophobicContact CB-CE1 4.32Å; A1461-R1467 WeakPolarHBondContact O-CG 3.45Å |
| 1462 | D | 85 | Confident | 87.9 | Confident | 105 Ų | 105 | 78.7 Ų | 78.7 | 56% | 0.561 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -9.4 | 174.1 | -87.9 | -20.3 | 0 | 0 | 0 | 114.8 | T1460 R1467 | T1460-D1462 PolarHBondContact O-N 3.43Å; T1460-D1462 PolarHBondContact OG1-N 3.02Å; D1462-R1467 VanDerWaalsContact CG-NH2 3.27Å; D1462-R1467 PolarHBondContact O-NH1 3.31Å; D1462-R1467 PolarHBondContact O-NH2 2.96Å; D1462-R1467 IonicContact OD1-CZ 2.65Å; D1462-R1467 IonicContact OD1-NE 2.61Å; D1462-R1467 IonicContact OD1-NH2 3.34Å; D1462-R1467 PolarHBondContact OD1-NH2 3.32Å |
| 1463 | S | 89.4 | Confident | 87.8 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -62.5 | 136.6 | 175.6 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | L1459 T1460 A1461 E1465 F1466 R1467 | L1459-S1463 VanDerWaalsContact CD1-CB 3.41Å; T1460-S1463 PolarHBondContact N-OG 3.49Å; T1460-S1463 VanDerWaalsContact O-CB 3.24Å; T1460-S1463 WeakPolarHBondContact O-CB 3.47Å; T1460-S1463 PolarHBondContact O-N 3.22Å; T1460-S1463 PolarHBondContact O-OG 3.38Å; T1460-S1463 PolarHBondContact OG1-N 2.95Å; T1460-S1463 PolarHBondContact OG1-OG 3.25Å; A1461-S1463 VanDerWaalsContact C-N 3.35Å; S1463-E1465 PolarHBondContact O-N 3.18Å; S1463-F1466 PolarHBondContact O-N 3.48Å; S1463-R1467 PolarHBondContact O-N 3.46Å |
| 1464 | R | 87.4 | Confident | 87.8 | Confident | 202 Ų | 202 | 72.1 Ų | 72.1 | 76% | 0.762 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.7 | -34.6 | -178.2 | 179.7 | -176.1 | -179 | -174.1 | 0.7 | 111.4 | S1468 | R1464-S1468 VanDerWaalsContact O-CB 3.22Å; R1464-S1468 WeakPolarHBondContact O-CB 3.37Å; R1464-S1468 PolarHBondContact O-N 3.11Å |
| 1465 | E | 86.4 | Confident | 87.6 | Confident | 102 Ų | 102 | 69.5 Ų | 69.5 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -49 | -179 | -61.9 | 60.6 | -132.5 | 0 | 0 | 109.9 | L1459 S1463 S1468 L1469 | L1459-E1465 HydrophobicContact CD1-CB 4.13Å; S1463-E1465 PolarHBondContact O-N 3.18Å; E1465-S1468 PolarHBondContact O-N 3.09Å; E1465-L1469 PolarHBondContact O-N 3.2Å |
| 1466 | F | 90.1 | Very high | 87.1 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.3 | -46.1 | 177.5 | -173.1 | -104.8 | 0 | 0 | 0 | 112 | L1148 D1149 F1150 L1459 A1461 S1463 S1468 L1469 L1470 | L1148-F1466 HydrophobicContact CB-CD2 4.37Å; L1148-F1466 HydrophobicContact CB-CE2 3.7Å; L1148-F1466 HydrophobicContact CB-CZ 3.89Å; L1148-F1466 HydrophobicContact CD2-CD1 4.07Å; L1148-F1466 HydrophobicContact CD2-CD2 3.95Å; L1148-F1466 HydrophobicContact CD2-CE1 4.07Å; L1148-F1466 HydrophobicContact CD2-CE2 3.99Å; L1148-F1466 HydrophobicContact CD2-CG 3.99Å; L1148-F1466 HydrophobicContact CD2-CZ 4.05Å; L1148-F1466 HydrophobicContact CG-CE2 4.41Å; D1149-F1466 WeakPolarHBondContact O-CZ 3.05Å; F1150-F1466 HydrophobicContact CD1-CE2 4.05Å; F1150-F1466 HydrophobicContact CD1-CZ 4.49Å; F1150-F1466 AromaticContact CE1-CE2 3.89Å; F1150-F1466 HydrophobicContact CE1-CE2 3.89Å; L1459-F1466 HydrophobicContact CD2-CB 4.32Å; L1459-F1466 HydrophobicContact CD2-CD2 4.4Å; L1459-F1466 HydrophobicContact CG-CB 4.43Å; A1461-F1466 HydrophobicContact CB-CD1 4.36Å; A1461-F1466 HydrophobicContact CB-CE1 4.32Å; S1463-F1466 PolarHBondContact O-N 3.48Å; F1466-S1468 VanDerWaalsContact C-N 3.29Å; F1466-S1468 PolarHBondContact O-N 3.27Å; F1466-L1469 WeakPolarHBondContact O-CB 3.4Å; F1466-L1469 PolarHBondContact O-N 2.88Å; F1466-L1470 HydrophobicContact CD1-CD1 4.04Å; F1466-L1470 HydrophobicContact CD1-CG 4.35Å; F1466-L1470 HydrophobicContact CE1-CD1 3.62Å; F1466-L1470 HydrophobicContact CE1-CD2 4.4Å; F1466-L1470 HydrophobicContact CE1-CG 4.03Å; F1466-L1470 HydrophobicContact CZ-CD1 4.26Å; F1466-L1470 HydrophobicContact CZ-CD2 4.22Å; F1466-L1470 HydrophobicContact CZ-CG 4.29Å; F1466-L1470 PolarHBondContact O-N 3.5Å |
| 1467 | R | 90.4 | Very high | 86.4 | Confident | 128 Ų | 128 | 67.8 Ų | 67.8 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60 | -38.4 | 174.9 | -61.9 | -159.4 | -161.6 | 105.9 | -13.6 | 112.4 | A1461 D1462 S1463 L1469 L1470 Q1471 | A1461-R1467 WeakPolarHBondContact O-CG 3.45Å; D1462-R1467 VanDerWaalsContact CG-NH2 3.27Å; D1462-R1467 PolarHBondContact O-NH1 3.31Å; D1462-R1467 PolarHBondContact O-NH2 2.96Å; D1462-R1467 IonicContact OD1-CZ 2.65Å; D1462-R1467 IonicContact OD1-NE 2.61Å; D1462-R1467 IonicContact OD1-NH2 3.34Å; D1462-R1467 PolarHBondContact OD1-NH2 3.32Å; S1463-R1467 PolarHBondContact O-N 3.46Å; R1467-L1469 VanDerWaalsContact C-N 3.31Å; R1467-L1469 PolarHBondContact O-N 3.03Å; R1467-L1470 PolarHBondContact O-N 2.75Å; R1467-Q1471 PolarHBondContact O-N 3.43Å |
| 1468 | S | 88.3 | Confident | 85.4 | Confident | 60 Ų | 60 | 70.2 Ų | 70.2 | 42% | 0.42 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.7 | -33.7 | 174.6 | -171.5 | 0 | 0 | 0 | 0 | 112.3 | R1464 E1465 F1466 Q1471 I1472 | R1464-S1468 VanDerWaalsContact O-CB 3.22Å; R1464-S1468 WeakPolarHBondContact O-CB 3.37Å; R1464-S1468 PolarHBondContact O-N 3.11Å; E1465-S1468 PolarHBondContact O-N 3.09Å; F1466-S1468 VanDerWaalsContact C-N 3.29Å; F1466-S1468 PolarHBondContact O-N 3.27Å; S1468-Q1471 PolarHBondContact O-N 2.93Å; S1468-I1472 WeakPolarHBondContact O-CG1 3.38Å; S1468-I1472 PolarHBondContact O-N 3.25Å; S1468-I1472 VanDerWaalsContact O-N 3.14Å |
| 1469 | L | 88.7 | Confident | 83.9 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.4 | -43.3 | 175.3 | -171.6 | 158.9 | 0 | 0 | 0 | 111.1 | F1150 A1449 L1450 E1465 F1466 R1467 Q1471 I1472 I1473 | F1150-L1469 HydrophobicContact CD1-CD2 3.84Å; F1150-L1469 HydrophobicContact CE1-CD1 4.27Å; F1150-L1469 HydrophobicContact CE1-CD2 3.33Å; F1150-L1469 HydrophobicContact CE1-CG 4.46Å; F1150-L1469 HydrophobicContact CZ-CD1 4.29Å; F1150-L1469 HydrophobicContact CZ-CD2 3.82Å; A1449-L1469 HydrophobicContact CB-CD1 4.45Å; A1449-L1469 HydrophobicContact CB-CG 4.47Å; L1450-L1469 HydrophobicContact CD2-CD1 3.44Å; L1450-L1469 VanDerWaalsContact CD2-CD1 3.44Å; L1450-L1469 HydrophobicContact CG-CD1 3.76Å; E1465-L1469 PolarHBondContact O-N 3.2Å; F1466-L1469 WeakPolarHBondContact O-CB 3.4Å; F1466-L1469 PolarHBondContact O-N 2.88Å; R1467-L1469 VanDerWaalsContact C-N 3.31Å; R1467-L1469 PolarHBondContact O-N 3.03Å; L1469-Q1471 PolarHBondContact O-N 3.26Å; L1469-I1472 CarbonylContact O-C 3.58Å; L1469-I1472 WeakPolarHBondContact O-CA 3.49Å; L1469-I1472 WeakPolarHBondContact O-CB 3.36Å; L1469-I1472 PolarHBondContact O-N 3.35Å; L1469-I1473 HydrophobicContact CD2-CD1 3.57Å; L1469-I1473 HydrophobicContact CD2-CG1 4Å; L1469-I1473 PolarHBondContact O-N 2.91Å |
| 1470 | L | 89.4 | Confident | 81.9 | Confident | 61 Ų | 61 | 74.2 Ų | 74.2 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.9 | -34.3 | 172.5 | -67 | -179.5 | 0 | 0 | 0 | 112.6 | F1150 F1466 R1467 I1473 S1474 | F1150-L1470 HydrophobicContact CD1-CD2 4.45Å; F1466-L1470 HydrophobicContact CD1-CD1 4.04Å; F1466-L1470 HydrophobicContact CD1-CG 4.35Å; F1466-L1470 HydrophobicContact CE1-CD1 3.62Å; F1466-L1470 HydrophobicContact CE1-CD2 4.4Å; F1466-L1470 HydrophobicContact CE1-CG 4.03Å; F1466-L1470 HydrophobicContact CZ-CD1 4.26Å; F1466-L1470 HydrophobicContact CZ-CD2 4.22Å; F1466-L1470 HydrophobicContact CZ-CG 4.29Å; F1466-L1470 PolarHBondContact O-N 3.5Å; R1467-L1470 PolarHBondContact O-N 2.75Å; L1470-I1473 PolarHBondContact O-N 3.41Å; L1470-S1474 WeakPolarHBondContact O-CB 3.33Å; L1470-S1474 PolarHBondContact O-N 3.29Å; L1470-S1474 PolarHBondContact O-OG 3.18Å |
| 1471 | Q | 87.3 | Confident | 79.5 | Confident | 131 Ų | 131 | 74.8 Ų | 74.8 | 61% | 0.612 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.2 | -36 | 172 | -167 | 176.2 | 3.5 | 0 | 0 | 112.3 | R1467 S1468 L1469 S1474 T1475 | R1467-Q1471 PolarHBondContact O-N 3.43Å; S1468-Q1471 PolarHBondContact O-N 2.93Å; L1469-Q1471 PolarHBondContact O-N 3.26Å; Q1471-S1474 WeakPolarHBondContact CA-OG 3.46Å; Q1471-S1474 PolarHBondContact O-OG 3.46Å; Q1471-T1475 WeakPolarHBondContact O-CB 3.4Å; Q1471-T1475 VanDerWaalsContact O-CG2 3.3Å; Q1471-T1475 WeakPolarHBondContact O-CG2 3.12Å; Q1471-T1475 PolarHBondContact O-N 2.93Å; Q1471-T1475 VanDerWaalsContact O-N 3.16Å; Q1471-T1475 PolarHBondContact O-OG1 3.45Å |
| 1472 | I | 84.9 | Confident | 77.2 | Confident | 60 Ų | 60 | 79 Ų | 79 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 172.1 | -67.5 | 165.8 | 0 | 0 | 0 | 110.7 | K1445 A1449 S1468 L1469 T1475 V1476 | K1445-I1472 HydrophobicContact CB-CG2 4.23Å; A1449-I1472 HydrophobicContact CB-CD1 3.91Å; S1468-I1472 WeakPolarHBondContact O-CG1 3.38Å; S1468-I1472 PolarHBondContact O-N 3.25Å; S1468-I1472 VanDerWaalsContact O-N 3.14Å; L1469-I1472 CarbonylContact O-C 3.58Å; L1469-I1472 WeakPolarHBondContact O-CA 3.49Å; L1469-I1472 WeakPolarHBondContact O-CB 3.36Å; L1469-I1472 PolarHBondContact O-N 3.35Å; I1472-T1475 PolarHBondContact O-OG1 2.81Å; I1472-T1475 VanDerWaalsContact O-OG1 3.09Å; I1472-V1476 WeakPolarHBondContact O-CG2 3.23Å; I1472-V1476 PolarHBondContact O-N 2.78Å |
| 1473 | I | 86.3 | Confident | 74.9 | Confident | 10 Ų | 10 | 79.8 Ų | 79.8 | 5% | 0.051 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.1 | -54.5 | 178 | -65.6 | -179 | 0 | 0 | 0 | 110.7 | F1150 L1152 V1442 I1446 L1469 L1470 T1475 V1476 T1477 | F1150-I1473 HydrophobicContact CB-CD1 3.72Å; F1150-I1473 HydrophobicContact CD1-CD1 3.85Å; F1150-I1473 HydrophobicContact CD2-CD1 4.18Å; F1150-I1473 HydrophobicContact CE1-CD1 4.47Å; F1150-I1473 HydrophobicContact CG-CD1 3.67Å; L1152-I1473 HydrophobicContact CD1-CD1 4.26Å; L1152-I1473 HydrophobicContact CD2-CG2 4.15Å; L1152-I1473 HydrophobicContact CG-CG2 4.49Å; V1442-I1473 HydrophobicContact CG2-CG2 4.37Å; I1446-I1473 HydrophobicContact CD1-CD1 3.65Å; I1446-I1473 HydrophobicContact CD1-CG1 3.79Å; I1446-I1473 HydrophobicContact CG1-CD1 3.85Å; I1446-I1473 HydrophobicContact CG1-CG1 3.65Å; L1469-I1473 HydrophobicContact CD2-CD1 3.57Å; L1469-I1473 HydrophobicContact CD2-CG1 4Å; L1469-I1473 PolarHBondContact O-N 2.91Å; L1470-I1473 PolarHBondContact O-N 3.41Å; I1473-T1475 VanDerWaalsContact C-N 3.33Å; I1473-T1475 PolarHBondContact O-N 3.32Å; I1473-V1476 PolarHBondContact O-N 2.95Å; I1473-T1477 HydrophobicContact CG2-CG2 4.19Å; I1473-T1477 PolarHBondContact O-N 3.37Å; I1473-T1477 PolarHBondContact O-OG1 3.26Å |
| 1474 | S | 85 | Confident | 72 | Confident | 47 Ų | 47 | 84.6 Ų | 84.6 | 33% | 0.329 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -35.6 | -176.9 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | L1470 Q1471 V1476 T1477 N1478 | L1470-S1474 WeakPolarHBondContact O-CB 3.33Å; L1470-S1474 PolarHBondContact O-N 3.29Å; L1470-S1474 PolarHBondContact O-OG 3.18Å; Q1471-S1474 WeakPolarHBondContact CA-OG 3.46Å; Q1471-S1474 PolarHBondContact O-OG 3.46Å; S1474-V1476 PolarHBondContact O-N 3.3Å; S1474-T1477 WeakPolarHBondContact CA-OG1 3.4Å; S1474-T1477 PolarHBondContact O-OG1 2.96Å; S1474-N1478 WeakPolarHBondContact O-CB 3.36Å; S1474-N1478 PolarHBondContact O-N 3.43Å; S1474-N1478 VanDerWaalsContact O-N 3.12Å; S1474-N1478 PolarHBondContact O-ND2 3.38Å |
| 1475 | T | 83.2 | Confident | 69.1 | Low | 79 Ų | 79 | 81 Ų | 81 | 49% | 0.485 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.5 | -14.4 | 174.6 | 53.8 | 0 | 0 | 0 | 0 | 114 | Q1471 I1472 I1473 R1479 | Q1471-T1475 WeakPolarHBondContact O-CB 3.4Å; Q1471-T1475 VanDerWaalsContact O-CG2 3.3Å; Q1471-T1475 WeakPolarHBondContact O-CG2 3.12Å; Q1471-T1475 PolarHBondContact O-N 2.93Å; Q1471-T1475 VanDerWaalsContact O-N 3.16Å; Q1471-T1475 PolarHBondContact O-OG1 3.45Å; I1472-T1475 PolarHBondContact O-OG1 2.81Å; I1472-T1475 VanDerWaalsContact O-OG1 3.09Å; I1473-T1475 VanDerWaalsContact C-N 3.33Å; I1473-T1475 PolarHBondContact O-N 3.32Å; T1475-R1479 WeakPolarHBondContact O-CG 3.41Å |
| 1476 | V | 78.6 | Confident | 66.3 | Low | 7 Ų | 7 | 80.8 Ų | 80.8 | 4% | 0.042 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -97.3 | -42.7 | 178 | 179 | 0 | 0 | 0 | 0 | 111.4 | V1442 K1445 I1472 I1473 S1474 R1479 S1480 | V1442-V1476 HydrophobicContact CB-CG1 3.85Å; V1442-V1476 HydrophobicContact CG2-CB 4.33Å; V1442-V1476 HydrophobicContact CG2-CG1 4.1Å; K1445-V1476 HydrophobicContact CD-CB 4.49Å; K1445-V1476 HydrophobicContact CD-CG1 4.3Å; K1445-V1476 HydrophobicContact CD-CG2 3.35Å; I1472-V1476 WeakPolarHBondContact O-CG2 3.23Å; I1472-V1476 PolarHBondContact O-N 2.78Å; I1473-V1476 PolarHBondContact O-N 2.95Å; S1474-V1476 PolarHBondContact O-N 3.3Å; V1476-R1479 PolarHBondContact O-N 3.06Å; V1476-S1480 PolarHBondContact O-N 3.27Å; V1476-S1480 VanDerWaalsContact O-N 3.14Å; V1476-S1480 PolarHBondContact O-OG 2.94Å |
| 1477 | T | 75.6 | Confident | 63.5 | Low | 52 Ų | 52 | 85.3 Ų | 85.3 | 32% | 0.319 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 174.1 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | L1152 V1442 I1473 S1474 R1479 S1480 S1481 | L1152-T1477 HydrophobicContact CD2-CG2 4.47Å; V1442-T1477 HydrophobicContact CG2-CG2 4.48Å; I1473-T1477 HydrophobicContact CG2-CG2 4.19Å; I1473-T1477 PolarHBondContact O-N 3.37Å; I1473-T1477 PolarHBondContact O-OG1 3.26Å; S1474-T1477 WeakPolarHBondContact CA-OG1 3.4Å; S1474-T1477 PolarHBondContact O-OG1 2.96Å; T1477-R1479 PolarHBondContact O-N 3.4Å; T1477-R1479 VanDerWaalsContact O-N 3.17Å; T1477-S1480 WeakPolarHBondContact O-CB 3.35Å; T1477-S1480 PolarHBondContact O-N 2.95Å; T1477-S1481 PolarHBondContact O-N 3.01Å; T1477-S1481 PolarHBondContact O-OG 3.04Å |
| 1478 | N | 65.6 | Low | 60.6 | Low | 109 Ų | 109 | 86.2 Ų | 86.2 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.1 | -16.5 | 177.6 | -67.2 | -15.7 | 0 | 0 | 0 | 114.4 | S1474 S1481 | S1474-N1478 WeakPolarHBondContact O-CB 3.36Å; S1474-N1478 PolarHBondContact O-N 3.43Å; S1474-N1478 VanDerWaalsContact O-N 3.12Å; S1474-N1478 PolarHBondContact O-ND2 3.38Å; N1478-S1481 PolarHBondContact O-OG 2.81Å |
| 1479 | R | 55.4 | Low | 57.8 | Low | 198 Ų | 198 | 88.9 Ų | 88.9 | 75% | 0.747 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -91.1 | -13.7 | 170.1 | -83 | -172.8 | 173.9 | -152 | 1.2 | 113.7 | T1475 V1476 T1477 T1482 | T1475-R1479 WeakPolarHBondContact O-CG 3.41Å; V1476-R1479 PolarHBondContact O-N 3.06Å; T1477-R1479 PolarHBondContact O-N 3.4Å; T1477-R1479 VanDerWaalsContact O-N 3.17Å; R1479-T1482 PolarHBondContact O-OG1 2.76Å |
| 1480 | S | 46.3 | Very low | 54.9 | Low | 78 Ų | 78 | 95.8 Ų | 95.8 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -87.7 | -28.4 | 177.2 | -51.9 | 0 | 0 | 0 | 0 | 111.2 | V1476 T1477 T1482 | V1476-S1480 PolarHBondContact O-N 3.27Å; V1476-S1480 VanDerWaalsContact O-N 3.14Å; V1476-S1480 PolarHBondContact O-OG 2.94Å; T1477-S1480 WeakPolarHBondContact O-CB 3.35Å; T1477-S1480 PolarHBondContact O-N 2.95Å; S1480-T1482 VanDerWaalsContact C-N 3.27Å; S1480-T1482 PolarHBondContact O-N 2.67Å |
| 1481 | S | 40.4 | Very low | 52 | Low | 83 Ų | 83 | 100 Ų | 100 | 58% | 0.58 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 2.6 | 178.4 | 53.8 | 0 | 0 | 0 | 0 | 115.3 | T1477 N1478 | T1477-S1481 PolarHBondContact O-N 3.01Å; T1477-S1481 PolarHBondContact O-OG 3.04Å; N1478-S1481 PolarHBondContact O-OG 2.81Å |
| 1482 | T | 36.4 | Very low | 49.3 | Very low | 107 Ų | 107 | 99.5 Ų | 99.5 | 66% | 0.656 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 15 | -175 | 49.5 | 0 | 0 | 0 | 0 | 114.5 | R1479 S1480 | R1479-T1482 PolarHBondContact O-OG1 2.76Å; S1480-T1482 VanDerWaalsContact C-N 3.27Å; S1480-T1482 PolarHBondContact O-N 2.67Å |
| 1483 | V | 37 | Very low | 46.5 | Very low | 121 Ų | 121 | 103.9 Ų | 103.9 | 73% | 0.733 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -133.7 | 30 | -176.7 | -155.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1484 | T | 28.5 | Very low | 43.6 | Very low | 124 Ų | 124 | 109.9 Ų | 109.9 | 76% | 0.761 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -148.9 | 71.3 | 173.4 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1485 | S | 26.8 | Very low | 40.8 | Very low | 126 Ų | 126 | 112.6 Ų | 112.6 | 88% | 0.881 | 64% | 0.639 | S | S | * | * | trans | -175.9 | 123.6 | 150.2 | 45.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1486 | A | 28 | Very low | 38.2 | Very low | 97 Ų | 97 | 113.3 Ų | 113.3 | 80% | 0.802 | 65% | 0.647 | S | S | * | * | trans | -158.9 | 141.9 | 164 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1487 | S | 30.5 | Very low | 35.9 | Very low | 102 Ų | 102 | 119.4 Ų | 119.4 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | trans | 63.8 | 131 | -173.1 | -74.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1488 | E | 29.6 | Very low | 33.6 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 69% | 0.687 | 70% | 0.701 | S | S | * | * | cis | -165.4 | 159.7 | -0.5 | -136.3 | 163.7 | -98.9 | 0 | 0 | 115.1 | ||||
| 1489 | N | 29.7 | Very low | 32.2 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | trans | 69.8 | 144.7 | 163.4 | -63.2 | -60.3 | 0 | 0 | 0 | 117.5 | ||||
| 1490 | Q | 29.2 | Very low | 30.7 | Very low | 155 Ų | 155 | 120.6 Ų | 120.6 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | cis | -159.5 | 167.5 | -1.5 | -132.2 | 171.8 | 47.5 | 0 | 0 | 113 | ||||
| 1491 | L | 28.5 | Very low | 30.3 | Very low | 149 Ų | 149 | 126 Ų | 126 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | trans | 64.1 | 129 | 173.2 | -86.5 | 69.7 | 0 | 0 | 0 | 114.7 | ||||
| 1492 | V | 29.1 | Very low | 30 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | cis | -158.5 | 144.6 | 11.7 | 140.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1493 | K | 26.5 | Very low | 30.1 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | cis | -158.7 | -179.9 | 3.2 | -129.1 | -179 | 164.6 | -141.9 | 0 | 111.2 | ||||
| 1494 | E | 24.7 | Very low | 29.4 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | 17.4 | 118.7 | 148.1 | -72.3 | 156.1 | -170.2 | 0 | 0 | 120 | ||||
| 1495 | S | 27.2 | Very low | 29.3 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | cis | 96.8 | 145.7 | 43 | 71.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1496 | S | 29 | Very low | 29.1 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | cis | -171.5 | 165.6 | 3.7 | 38.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1497 | N | 29.1 | Very low | 28.9 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 75.3 | 131.1 | 140.2 | -75.7 | 1.1 | 0 | 0 | 0 | 125.2 | ||||
| 1498 | I | 28 | Very low | 28.6 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | 74.7 | 144.6 | 133.5 | -68.7 | 171.5 | 0 | 0 | 0 | 118.3 | ||||
| 1499 | P | 35.4 | Very low | 28.4 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | cis | -136.3 | -166.6 | -18 | 38.3 | -17.5 | 0 | 0 | 0 | 115.8 | ||||
| 1500 | D | 24.3 | Very low | 28.1 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | 71 | 135 | 140.5 | -79.7 | -29.1 | 0 | 0 | 0 | 125.1 | ||||
| 1501 | K | 37.8 | Very low | 28 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | trans | 63.4 | 142 | 155.4 | -68.1 | 172.2 | -177.9 | 169.8 | 0 | 119 | ||||
| 1502 | A | 35.2 | Very low | 28 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | cis | -125.5 | 131.4 | -7.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1503 | V | 37.3 | Very low | 27.9 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | -140.7 | 164.4 | -151.9 | -178.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1504 | E | 24 | Very low | 27.8 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | 95.6 | 165.4 | 158.3 | -133.2 | 170.4 | -157.3 | 0 | 0 | 117.7 | ||||
| 1505 | Q | 24.5 | Very low | 27.7 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | trans | -58.5 | 154.5 | 178.2 | -49.1 | 166.5 | 13.1 | 0 | 0 | 109.4 | ||||
| 1506 | T | 24.2 | Very low | 27.8 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | -170.5 | 156.1 | 54.8 | 41 | 0 | 0 | 0 | 0 | 110 | |||||
| 1507 | S | 23.2 | Very low | 27.6 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 57.5 | 144.7 | 136.3 | 79.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1508 | D | 24.4 | Very low | 27.6 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 63% | 0.631 | 76% | 0.756 | S | S | * | * | cis | -163.5 | 165.8 | 0.4 | -135.3 | -17.1 | 0 | 0 | 0 | 114 | ||||
| 1509 | K | 25.4 | Very low | 27.6 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 70% | 0.704 | 75% | 0.752 | S | S | * | * | trans | 59.2 | 125.2 | 151.1 | -70 | 167.5 | -179.9 | 93.5 | 0 | 120.5 | ||||
| 1510 | S | 23.6 | Very low | 27.1 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 69.8 | 137.9 | 154.3 | 75.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1511 | N | 27.5 | Very low | 27.8 | Very low | 145 Ų | 145 | 134 Ų | 134 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | cis | -162.4 | 161.1 | 28.7 | -127.4 | -13.4 | 0 | 0 | 0 | 113.1 | ||||
| 1512 | T | 26.8 | Very low | 27.1 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | trans | 70.2 | 113.9 | 141.8 | -54.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1513 | V | 27.8 | Very low | 26.5 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | trans | 70.6 | 109.7 | 146.2 | 176 | 0 | 0 | 0 | 0 | 120.2 | S1515 | V1513-S1515 PolarHBondContact O-N 3.12Š| ||
| 1514 | V | 24.5 | Very low | 26 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | trans | -70.8 | 111.9 | 147.2 | 172 | 0 | 0 | 0 | 0 | 109 | ||||
| 1515 | S | 23.7 | Very low | 26 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | trans | -169.4 | 109.7 | 158.9 | -82.9 | 0 | 0 | 0 | 0 | 111.7 | V1513 | V1513-S1515 PolarHBondContact O-N 3.12Š| ||
| 1516 | L | 27.5 | Very low | 26 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 93% | 0.932 | 75% | 0.745 | S | S | * | * | trans | -131.5 | 86.6 | 152.6 | -82.1 | -178.4 | 0 | 0 | 0 | 109.2 | ||||
| 1517 | T | 25 | Very low | 26.1 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | -56.8 | 137 | 164.2 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1518 | L | 29 | Very low | 26.1 | Very low | 182 Ų | 182 | 131 Ų | 131 | 95% | 0.953 | 75% | 0.745 | S | S | * | * | trans | -102.2 | 86.4 | 157.7 | -89.2 | 167.8 | 0 | 0 | 0 | 108.6 | ||||
| 1519 | N | 27.6 | Very low | 26.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | trans | -104 | 128.6 | 171.1 | -88.2 | 25.2 | 0 | 0 | 0 | 110.8 | ||||
| 1520 | D | 25.4 | Very low | 26.5 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | 67.5 | 155.8 | 144.3 | -70.5 | -30.4 | 0 | 0 | 0 | 122.4 | ||||
| 1521 | P | 38.9 | Very low | 26.7 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | trans | -141 | -134.2 | -148.6 | 38.3 | -12.7 | 0 | 0 | 0 | 112.7 | ||||
| 1522 | L | 23.8 | Very low | 26.6 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | 83.1 | 102 | 159.7 | -80.9 | 160.6 | 0 | 0 | 0 | 120.4 | ||||
| 1523 | S | 23.1 | Very low | 26.6 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | 54.5 | 114.9 | 126.2 | 64.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1524 | S | 27.2 | Very low | 26.5 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | -176 | 143.2 | 98.6 | 66 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1525 | L | 23 | Very low | 26.8 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | 44.9 | 129.3 | 68.5 | -65.7 | 174.5 | 0 | 0 | 0 | 111.4 | |||||
| 1526 | Q | 23.4 | Very low | 26.9 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | cis | -165.1 | -177.1 | 22.5 | -157.4 | 174.7 | -12.9 | 0 | 0 | 109 | ||||
| 1527 | I | 27.4 | Very low | 26.9 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | trans | 72.7 | 139.4 | 162.3 | -60.2 | 161.1 | 0 | 0 | 0 | 115.3 | ||||
| 1528 | S | 23.2 | Very low | 27 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | -178.9 | -167.1 | -50.4 | 49.5 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 1529 | N | 28.9 | Very low | 27 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | trans | 76.9 | 113.9 | 172 | -57.2 | 68.3 | 0 | 0 | 0 | 113.7 | ||||
| 1530 | D | 28.6 | Very low | 27.1 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | 88.8 | 139.6 | 83.6 | -59.4 | -20.2 | 0 | 0 | 0 | 109.6 | |||||
| 1531 | D | 28.3 | Very low | 27.2 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | cis | -129.2 | 162.5 | 2.8 | -105 | -70.2 | 0 | 0 | 0 | 107.8 | ||||
| 1532 | S | 26.3 | Very low | 26.7 | Very low | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | 53.6 | 141.4 | 67.2 | 122.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1533 | S | 25.9 | Very low | 26.7 | Very low | 90 Ų | 90 | 124.1 Ų | 124.1 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | cis | -168.5 | 174.4 | -8.6 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1534 | L | 26.4 | Very low | 26.9 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | trans | 65.1 | 167.6 | 158 | -94.7 | 72.2 | 0 | 0 | 0 | 116.4 | ||||
| 1535 | V | 30.3 | Very low | 27 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | cis | -148 | 120.8 | -11.8 | 91.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1536 | S | 24.9 | Very low | 27.1 | Very low | 83 Ų | 83 | 130.3 Ų | 130.3 | 58% | 0.58 | 70% | 0.701 | S | S | * | * | 82.6 | 163.2 | 103.1 | 78.6 | 0 | 0 | 0 | 0 | 118 | |||||
| 1537 | D | 27.9 | Very low | 27.2 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | 76.8 | 103.4 | 158.2 | -55.6 | -46.3 | 0 | 0 | 0 | 121.9 | ||||
| 1538 | T | 27.2 | Very low | 27.3 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 73% | 0.73 | 70% | 0.698 | S | S | * | * | 44.6 | 143.1 | 125.1 | 65.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1539 | D | 28.9 | Very low | 27.5 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 59% | 0.594 | 70% | 0.704 | S | S | * | * | cis | -165.7 | 159.8 | 42.1 | -151.7 | 9.7 | 0 | 0 | 0 | 116.2 | ||||
| 1540 | K | 29.4 | Very low | 27.5 | Very low | 152 Ų | 152 | 130 Ų | 130 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | trans | 31.8 | 129.1 | 151.2 | -79.1 | 166.1 | -157.4 | 76.2 | 0 | 123.4 | ||||
| 1541 | R | 28 | Very low | 27.5 | Very low | 222 Ų | 222 | 131 Ų | 131 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | 92.7 | 143.5 | 126.7 | -81.1 | 178 | 169.2 | 178.9 | -3.5 | 122.2 | |||||
| 1542 | S | 28.4 | Very low | 27.7 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | 54.9 | 115.1 | 154.1 | 47.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 1543 | S | 24.3 | Very low | 27.7 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | cis | 82 | 129.6 | 46.5 | 78.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1544 | H | 27.2 | Very low | 27.9 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 78% | 0.778 | 71% | 0.712 | S | S | * | * | trans | 70.6 | 148.3 | 174.8 | -51.7 | -70.1 | 0 | 0 | 0 | 114.8 | ||||
| 1545 | L | 29.1 | Very low | 28.1 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | cis | -123.9 | 150.3 | 0.2 | -85.6 | 97 | 0 | 0 | 0 | 109.8 | ||||
| 1546 | K | 25.3 | Very low | 28.1 | Very low | 178 Ų | 178 | 131.1 Ų | 131.1 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | 51.8 | 109.1 | 75.9 | -81.9 | -169 | 174.7 | -176.4 | 0 | 113.3 | |||||
| 1547 | S | 25.3 | Very low | 28.2 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | 84.7 | 119 | 60.2 | 73.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1548 | F | 28.3 | Very low | 28.3 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | trans | -169.6 | 160.5 | 155.2 | -84.9 | -64.4 | 0 | 0 | 0 | 107.3 | M1550 | F1548-M1550 HydrophobicContact CD1-CB 4.14Å; F1548-M1550 HydrophobicContact CD1-SD 3.94Å; F1548-M1550 HydrophobicContact CE1-SD 3.67Å | ||
| 1549 | S | 28.2 | Very low | 28.4 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | cis | -126.7 | 139.6 | 5.2 | -168.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1550 | M | 29.3 | Very low | 28.9 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 62% | 0.616 | 74% | 0.74 | S | S | * | * | cis | 81.9 | 125.5 | 37.7 | -163.1 | -170.3 | -157.5 | 0 | 0 | 114 | F1548 | F1548-M1550 HydrophobicContact CD1-CB 4.14Å; F1548-M1550 HydrophobicContact CD1-SD 3.94Å; F1548-M1550 HydrophobicContact CE1-SD 3.67Å | ||
| 1551 | N | 28 | Very low | 28.6 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -145 | 104.9 | 152.2 | -111.6 | -3.7 | 0 | 0 | 0 | 109.1 | ||||
| 1552 | T | 32.3 | Very low | 28.4 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | trans | 32.6 | 120 | 145.7 | 52.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1553 | C | 26.3 | Very low | 28.4 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | 75.3 | 145.1 | 73.2 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1554 | T | 30.5 | Very low | 28.5 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | cis | -159.1 | 160.5 | 41.5 | 45.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1555 | T | 30.5 | Very low | 28.6 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | trans | 61.8 | 149.6 | 148.3 | 49.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1556 | T | 30.7 | Very low | 28.4 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | cis | -149.9 | 171.7 | 0.5 | -6.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1557 | S | 27.4 | Very low | 28.5 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | -128.5 | 149.3 | -176 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1558 | S | 30.4 | Very low | 28.7 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -157.6 | 140.5 | 150.2 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1559 | S | 29.1 | Very low | 28.8 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -116.8 | -159.3 | 163.4 | -52.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1560 | P | 38.1 | Very low | 28.7 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | cis | -146.8 | -158.9 | 2.2 | 40.5 | -16.2 | 0 | 0 | 0 | 115.8 | ||||
| 1561 | E | 24.6 | Very low | 28.6 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | 92 | 111.4 | 137.7 | -87.6 | 177.8 | -156.1 | 0 | 0 | 123.8 | ||||
| 1562 | T | 24 | Very low | 28.5 | Very low | 99 Ų | 99 | 127 Ų | 127 | 61% | 0.607 | 73% | 0.725 | S | S | * | * | 98.5 | 144.9 | 123.2 | 62.2 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1563 | F | 27.3 | Very low | 28.3 | Very low | 174 Ų | 174 | 126.6 Ų | 126.6 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | trans | 100.5 | 111.4 | 140.6 | -75.7 | -47.6 | 0 | 0 | 0 | 122.8 | ||||
| 1564 | L | 27.4 | Very low | 28.5 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | trans | 81.1 | 118 | 135.9 | -54.6 | 169.8 | 0 | 0 | 0 | 121.6 | ||||
| 1565 | H | 28 | Very low | 28.5 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 59.8 | 131.7 | 131.4 | -81.2 | -72.7 | 0 | 0 | 0 | 123.3 | ||||
| 1566 | N | 25.5 | Very low | 28.3 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | 72.8 | 150.5 | 139 | -74.6 | 36.7 | 0 | 0 | 0 | 118.2 | ||||
| 1567 | D | 28.4 | Very low | 28 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | cis | -148.5 | 178.9 | 9.4 | -130.7 | -40 | 0 | 0 | 0 | 114.3 | ||||
| 1568 | S | 29.6 | Very low | 28.4 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | trans | 71.1 | 106 | 155.2 | 53.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1569 | S | 29.7 | Very low | 28.1 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | 36.2 | 120.7 | 124 | 56.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1570 | Q | 25 | Very low | 28 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | 59.2 | 103.2 | 76.1 | -65.1 | 179.8 | 1.6 | 0 | 0 | 115.3 | |||||
| 1571 | F | 27.3 | Very low | 27.3 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | -145.5 | 127.4 | 98.5 | -102.9 | -90.2 | 0 | 0 | 0 | 105.4 | |||||
| 1572 | T | 26.5 | Very low | 27.5 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 60% | 0.595 | 72% | 0.722 | S | S | * | * | 51 | 133.7 | 57.3 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1573 | S | 27.7 | Very low | 27.6 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | cis | -165.1 | 167.5 | 1.9 | -104 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1574 | I | 31.3 | Very low | 27.7 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 74% | 0.744 | 72% | 0.724 | S | S | * | * | cis | 177.5 | 152.9 | 43.3 | -121.8 | 148.7 | 0 | 0 | 0 | 103.9 | ||||
| 1575 | N | 29.3 | Very low | 27.7 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | cis | -150.4 | 169.3 | -12.3 | -114 | 3.9 | 0 | 0 | 0 | 111.2 | ||||
| 1576 | T | 28 | Very low | 27.8 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | -96.1 | 152.5 | -171.8 | 46.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1577 | L | 22.6 | Very low | 27.9 | Very low | 160 Ų | 160 | 132 Ų | 132 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | 21.4 | 157.3 | 116.2 | -72.3 | 168.6 | 0 | 0 | 0 | 120.7 | |||||
| 1578 | P | 35.9 | Very low | 28 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | -130.8 | -153.3 | -129.3 | 40.9 | -22.3 | 0 | 0 | 0 | 115.8 | |||||
| 1579 | V | 24.3 | Very low | 27.8 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | trans | 95.3 | 108.2 | 164.4 | -170.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 1580 | N | 26.8 | Very low | 27.8 | Very low | 158 Ų | 158 | 138 Ų | 138 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | -166.6 | 167.7 | 115.4 | -113.8 | -55.2 | 0 | 0 | 0 | 115.2 | |||||
| 1581 | A | 24.7 | Very low | 28 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | -68.4 | 157.4 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1582 | H | 28.2 | Very low | 28.1 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | -165.7 | 141.3 | 75.2 | -118.7 | -103.6 | 0 | 0 | 0 | 114.3 | |||||
| 1583 | I | 27.1 | Very low | 28.1 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | trans | 34.2 | 115.3 | 138.6 | -60 | -174.1 | 0 | 0 | 0 | 117.1 | ||||
| 1584 | K | 28.1 | Very low | 28 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | -177.6 | 156.2 | 73.9 | -137.3 | 176 | 179.5 | -103.6 | 0 | 114.7 | |||||
| 1585 | D | 28.6 | Very low | 27.9 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | trans | 47.8 | 139.3 | 153.1 | -56.2 | -17.6 | 0 | 0 | 0 | 124.9 | ||||
| 1586 | D | 29.1 | Very low | 28.2 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 78.4 | 103.7 | 142.8 | -76.1 | 12 | 0 | 0 | 0 | 125.9 | ||||
| 1587 | N | 28.5 | Very low | 28.3 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | 90.7 | 147.4 | 123.5 | -74.4 | -50 | 0 | 0 | 0 | 124.1 | |||||
| 1588 | A | 29.8 | Very low | 28.6 | Very low | 87 Ų | 87 | 131.9 Ų | 131.9 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | 59.8 | 96.4 | 168 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1589 | Q | 25.4 | Very low | 28.3 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | 67.7 | 99.2 | 84.7 | -72.9 | -172.3 | -4.6 | 0 | 0 | 116.6 | |||||
| 1590 | I | 29.7 | Very low | 28.6 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 89% | 0.892 | 77% | 0.774 | S | S | * | * | trans | -130.3 | 137.7 | 133.7 | -67.7 | -173.1 | 0 | 0 | 0 | 107.6 | ||||
| 1591 | V | 28.7 | Very low | 28.7 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -102.7 | 128.5 | -176.6 | 170.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1592 | C | 29.3 | Very low | 28.9 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -78.8 | 128.9 | 160.5 | -71.9 | 0 | 0 | 0 | 0 | 109.4 | S1594 | C1592-S1594 PolarHBondContact O-N 3.14Š| ||
| 1593 | L | 27.4 | Very low | 28.9 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -75.4 | 113.6 | -172.8 | -79 | 155.5 | 0 | 0 | 0 | 112.4 | ||||
| 1594 | S | 26.3 | Very low | 29.1 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -141.2 | 130.9 | 166.2 | -69.5 | 0 | 0 | 0 | 0 | 109.4 | C1592 | C1592-S1594 PolarHBondContact O-N 3.14Š| ||
| 1595 | S | 28.2 | Very low | 29 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 67.7 | 127.2 | 174 | -52.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1596 | P | 35.3 | Very low | 28.8 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 161.7 | 154.5 | -14.9 | 31 | 0 | 0 | 0 | 112 | ||
| 1597 | P | 31.3 | Very low | 28.7 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 159.1 | -167.3 | -12.1 | 30.2 | 0 | 0 | 0 | 115.2 | ||
| 1598 | P | 27.7 | Very low | 28.5 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83 | 157.4 | 176.9 | 34.7 | -35.8 | 0 | 0 | 0 | 113.4 | ||
| 1599 | L | 30 | Very low | 28.4 | Very low | 169 Ų | 169 | 147 Ų | 147 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -111.6 | 148 | 161.5 | -77.8 | 171.4 | 0 | 0 | 0 | 110.5 | ||||
| 1600 | P | 31.6 | Very low | 28.3 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -82.5 | 146.3 | -164.7 | 31.9 | -36.3 | 0 | 0 | 0 | 114 | ||||
| 1601 | P | 28.1 | Very low | 28.1 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -88.3 | 138.4 | 175.1 | 34.1 | -33.2 | 0 | 0 | 0 | 112.7 | ||||
| 1602 | R | 29.6 | Very low | 28 | Very low | 241 Ų | 241 | 144.7 Ų | 144.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -156.6 | 118.9 | 156.1 | -118.7 | 173.5 | -176.1 | 178.8 | 0.6 | 113.3 | ||||
| 1603 | N | 27.9 | Very low | 27.9 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 6.2 | 146.4 | 139.1 | -62.4 | -2 | 0 | 0 | 0 | 118.7 | ||||
| 1604 | S | 29.8 | Very low | 27.7 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -162.7 | 164.9 | 15.5 | 27.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1605 | R | 25.9 | Very low | 27.6 | Very low | 234 Ų | 234 | 146.4 Ų | 146.4 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -37.5 | 157.2 | 151.4 | -73.1 | 175.9 | -176.9 | 174.1 | -0.1 | 114.1 | ||||
| 1606 | S | 24.6 | Very low | 27.5 | Very low | 95 Ų | 95 | 150.4 Ų | 150.4 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | cis | -172.5 | -171.9 | -3.3 | 48 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1607 | T | 27.7 | Very low | 26.9 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | 76.7 | 115.4 | 153.8 | 34.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1608 | Q | 25.2 | Very low | 26.7 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 40.2 | 138.9 | 128.9 | -64.3 | -172.5 | 13.2 | 0 | 0 | 119.7 | |||||
| 1609 | R | 25.9 | Very low | 26.5 | Very low | 206 Ų | 206 | 150.7 Ų | 150.7 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | cis | -164.6 | 153.7 | 25.4 | -135.7 | 177.3 | -174.6 | 164.9 | 2 | 112.3 | ||||
| 1610 | N | 24.6 | Very low | 26.3 | Very low | 129 Ų | 129 | 149.8 Ų | 149.8 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | 69.5 | 132.1 | 148.4 | -76.8 | 12.1 | 0 | 0 | 0 | 124.2 | ||||
| 1611 | T | 24.6 | Very low | 26.1 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | trans | 60.1 | 103.2 | 138.3 | 57.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1612 | H | 27.8 | Very low | 26 | Very low | 180 Ų | 180 | 147.6 Ų | 147.6 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | -178.8 | 150.2 | 111.4 | -90.9 | -67.6 | 0 | 0 | 0 | 107 | |||||
| 1613 | S | 26.6 | Very low | 25.6 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -173.4 | 145 | -15 | -100.5 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 1614 | E | 22.9 | Very low | 25.5 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | -86.3 | 178.3 | -176.3 | -58 | 175.3 | 120.4 | 0 | 0 | 113.2 | ||||
| 1615 | Q | 24.2 | Very low | 25.3 | Very low | 155 Ų | 155 | 150.5 Ų | 150.5 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 73.4 | 108.9 | 164.7 | -53.5 | -177.7 | 2.8 | 0 | 0 | 118.2 | ||||
| 1616 | F | 25.8 | Very low | 25.2 | Very low | 200 Ų | 200 | 143.7 Ų | 143.7 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | -160.6 | 121.9 | 99.1 | -85.5 | -77.9 | 0 | 0 | 0 | 105.8 | |||||
| 1617 | S | 23.2 | Very low | 25.2 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | 83.4 | 139.4 | 58 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1618 | N | 27 | Very low | 25.2 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | 74.6 | 145.3 | -178.7 | -59.5 | -28.1 | 0 | 0 | 0 | 116 | ||||
| 1619 | Q | 24.4 | Very low | 25.1 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | cis | -169.8 | 161.1 | -15.7 | -115.2 | 169.2 | 32.3 | 0 | 0 | 108.6 | ||||
| 1620 | I | 26.1 | Very low | 25.3 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 67.1 | 133.6 | 158.8 | -63.6 | 157 | 0 | 0 | 0 | 115.3 | ||||
| 1621 | S | 25.6 | Very low | 25.4 | Very low | 90 Ų | 90 | 142 Ų | 142 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | cis | -164.1 | 167.6 | -8.9 | 53.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1622 | T | 26.6 | Very low | 25.4 | Very low | 104 Ų | 104 | 142 Ų | 142 | 64% | 0.638 | 76% | 0.755 | S | S | * | * | trans | 48.3 | 124.3 | 154.1 | 51.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1623 | F | 22.1 | Very low | 25.3 | Very low | 212 Ų | 212 | 138.4 Ų | 138.4 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | cis | 49.7 | 89.7 | 15.8 | -98.5 | -69.9 | 0 | 0 | 0 | 115.7 | ||||
| 1624 | Q | 25.6 | Very low | 25.4 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | -157.8 | 70.9 | 162.9 | -161.3 | 166.6 | 6 | 0 | 0 | 112.9 | S1626 | Q1624-S1626 PolarHBondContact O-N 2.8Š| ||
| 1625 | E | 25.4 | Very low | 25.6 | Very low | 198 Ų | 198 | 140 Ų | 140 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | trans | -80.1 | 105.5 | 148.9 | -76.6 | -167.8 | 131.9 | 0 | 0 | 107.1 | ||||
| 1626 | S | 24.5 | Very low | 25.5 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | -88.9 | 115.8 | -172.6 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | Q1624 | Q1624-S1626 PolarHBondContact O-N 2.8Š| ||
| 1627 | S | 22.7 | Very low | 25.5 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | trans | -94.6 | 129 | 170.5 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1628 | H | 28.4 | Very low | 25.7 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | -133.2 | 99.6 | 158.2 | -74.6 | -75.1 | 0 | 0 | 0 | 105.9 | ||||
| 1629 | N | 24.1 | Very low | 25.4 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | 56.1 | 111.6 | 73.3 | -77.4 | -16.8 | 0 | 0 | 0 | 114.9 | |||||
| 1630 | I | 28.4 | Very low | 25.4 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -156.4 | 127.4 | 141.4 | -99.1 | 152.6 | 0 | 0 | 0 | 107.2 | ||||
| 1631 | S | 27 | Very low | 25.4 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | 47.7 | 126 | 162.5 | 63.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 1632 | S | 24.3 | Very low | 25.3 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | cis | 61 | 148 | 30.7 | 96.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1633 | S | 27.6 | Very low | 25.3 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -169.7 | 167.3 | -9.9 | 41.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1634 | T | 27.5 | Very low | 25.3 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | cis | -145.9 | -174.7 | 17.3 | -29.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1635 | F | 27 | Very low | 25.2 | Very low | 211 Ų | 211 | 140.1 Ų | 140.1 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | -149.4 | 162.4 | 69.6 | -112.5 | -86.3 | 0 | 0 | 0 | 112.2 | |||||
| 1636 | S | 22.4 | Very low | 25.1 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 53% | 0.531 | 77% | 0.766 | S | S | . | * | trans | -145.6 | 175.3 | -163.6 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1637 | N | 25.4 | Very low | 25 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 81.1 | 146 | 179.5 | -44.6 | -33.6 | 0 | 0 | 0 | 112.7 | ||||
| 1638 | I | 27.6 | Very low | 25.2 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | cis | -120.7 | 166.8 | 24.9 | -73.2 | 167.9 | 0 | 0 | 0 | 112.5 | ||||
| 1639 | R | 21.6 | Very low | 25 | Very low | 220 Ų | 220 | 137.5 Ų | 137.5 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | -111.1 | 176.4 | 177.4 | -95.5 | -173.1 | 176.3 | 178 | -1 | 111.9 | ||||
| 1640 | D | 23.3 | Very low | 25 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | 76.4 | 140.8 | 177.3 | -44 | -32 | 0 | 0 | 0 | 112 | ||||
| 1641 | I | 27.4 | Very low | 24.9 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | cis | -128.8 | 174.8 | 32.4 | -75.7 | 167.7 | 0 | 0 | 0 | 112.7 | ||||
| 1642 | S | 23.3 | Very low | 24.9 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | trans | -55.1 | 156.3 | -174.5 | 51.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 1643 | P | 24.9 | Very low | 25 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | trans | -77.5 | 150.5 | -179.5 | 33.4 | -36.9 | 0 | 0 | 0 | 113.9 | ||||
| 1644 | V | 23.6 | Very low | 24.9 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 79% | 0.788 | 72% | 0.721 | S | S | * | * | trans | -132.8 | 153.1 | 168.7 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1645 | E | 22.9 | Very low | 24.6 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -50.2 | 139.3 | -173.7 | -54.4 | 167.2 | 130.8 | 0 | 0 | 115.1 | ||||
| 1646 | C | 23.5 | Very low | 24.5 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 88% | 0.878 | 71% | 0.711 | S | S | * | * | trans | -150.7 | 108.8 | 161.3 | -117 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1647 | F | 21.2 | Very low | 24.6 | Very low | 191 Ų | 191 | 132.4 Ų | 132.4 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -85.2 | 128.9 | 167.2 | -79.3 | -101.4 | 0 | 0 | 0 | 110 | ||||
| 1648 | P | 27.8 | Very low | 24.5 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | trans | -91.2 | 104.6 | 165.8 | 33 | -28.6 | 0 | 0 | 0 | 110.4 | ||||
| 1649 | T | 23.3 | Very low | 24.2 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 42% | 0.417 | 72% | 0.716 | S | S | . | * | trans | -148.2 | 83.6 | 163.8 | -52.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1650 | N | 25.3 | Very low | 24.4 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | trans | -161.3 | 101.8 | 166.1 | -101.9 | -16.8 | 0 | 0 | 0 | 108.6 | S1260 I1652 | S1260-N1650 PolarHBondContact OG-OD1 3.15Å; N1650-I1652 HydrophobicContact CB-CD1 4.13Å; N1650-I1652 HydrophobicContact CB-CG1 4.12Å; N1650-I1652 PolarHBondContact O-N 3.1Å | ||
| 1651 | V | 26.1 | Very low | 24.6 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 78% | 0.782 | 71% | 0.712 | S | S | * | * | trans | -86.9 | 96.2 | 169.7 | 177.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1652 | I | 26.5 | Very low | 24.5 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 56% | 0.559 | 71% | 0.712 | S | S | * | * | trans | -104.7 | 112.9 | -177.8 | -61.8 | 176.6 | 0 | 0 | 0 | 109.3 | N1650 T1654 | N1650-I1652 HydrophobicContact CB-CD1 4.13Å; N1650-I1652 HydrophobicContact CB-CG1 4.12Å; N1650-I1652 PolarHBondContact O-N 3.1Å; I1652-T1654 HydrophobicContact CG2-CG2 3.67Å; I1652-T1654 VanDerWaalsContact CG2-OG1 3.3Å; I1652-T1654 WeakPolarHBondContact CG2-OG1 3.14Å; I1652-T1654 PolarHBondContact O-N 2.9Å | ||
| 1653 | M | 26.2 | Very low | 24.5 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 38% | 0.379 | 72% | 0.721 | S | S | . | * | trans | -84.8 | 85.5 | 165.7 | -78.9 | -92.2 | -141.8 | 0 | 0 | 109 | F1317 | F1317-M1653 HydrophobicContact CE2-CE 4.12Å; F1317-M1653 HydrophobicContact CZ-CE 3.83Å | ||
| 1654 | T | 25.2 | Very low | 24.8 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 59% | 0.589 | 71% | 0.71 | S | S | * | * | trans | -138.7 | 142.6 | 168.8 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | I1652 T1656 | I1652-T1654 HydrophobicContact CG2-CG2 3.67Å; I1652-T1654 VanDerWaalsContact CG2-OG1 3.3Å; I1652-T1654 WeakPolarHBondContact CG2-OG1 3.14Å; I1652-T1654 PolarHBondContact O-N 2.9Å; T1654-T1656 PolarHBondContact O-N 2.88Å; T1654-T1656 VanDerWaalsContact O-N 3.1Å | ||
| 1655 | S | 23.1 | Very low | 24.9 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | trans | -60.9 | 109.5 | 168.8 | 37.7 | 0 | 0 | 0 | 0 | 110.3 | H1657 | S1655-H1657 VanDerWaalsContact C-N 3.32Å; S1655-H1657 PolarHBondContact O-N 2.89Å | ||
| 1656 | T | 25.1 | Very low | 24.9 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 69% | 0.693 | 71% | 0.705 | S | S | * | * | trans | -79.9 | 80.6 | -178.2 | 36.2 | 0 | 0 | 0 | 0 | 111.2 | T1654 C1658 | T1654-T1656 PolarHBondContact O-N 2.88Å; T1654-T1656 VanDerWaalsContact O-N 3.1Å; T1656-C1658 PolarHBondContact O-N 3.26Å | ||
| 1657 | H | 22.9 | Very low | 25.2 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | trans | -54.1 | 110.1 | 162.2 | -141.3 | -85.3 | 0 | 0 | 0 | 108.4 | S1655 D1659 | S1655-H1657 VanDerWaalsContact C-N 3.32Å; S1655-H1657 PolarHBondContact O-N 2.89Å; H1657-D1659 PolarHBondContact O-N 2.92Å | ||
| 1658 | C | 23.4 | Very low | 25.3 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -79.6 | 107.1 | -178.1 | -71.7 | 0 | 0 | 0 | 0 | 110.2 | T1656 | T1656-C1658 PolarHBondContact O-N 3.26Š| ||
| 1659 | D | 22.2 | Very low | 25.2 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 80% | 0.802 | 69% | 0.69 | S | S | * | * | trans | -127.1 | 136.6 | 157.8 | -92.9 | -55.9 | 0 | 0 | 0 | 109.4 | H1657 | H1657-D1659 PolarHBondContact O-N 2.92Š| ||
| 1660 | I | 26.3 | Very low | 25.3 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | trans | -106.8 | 142.9 | -168.8 | -67.3 | 175.8 | 0 | 0 | 0 | 110.3 | ||||
| 1661 | S | 26.8 | Very low | 25.5 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | trans | 62.8 | 107.4 | 170.2 | 55.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1662 | Q | 24.3 | Very low | 25.6 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -68.9 | 152.4 | 143.4 | -62.3 | 176.7 | -12.1 | 0 | 0 | 109.6 | ||||
| 1663 | L | 24 | Very low | 25.7 | Very low | 162 Ų | 162 | 131 Ų | 131 | 85% | 0.848 | 71% | 0.707 | S | S | * | * | -168.7 | 156.2 | 106.6 | -90.1 | 172.2 | 0 | 0 | 0 | 108.2 | |||||
| 1664 | P | 30.5 | Very low | 25.9 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 59% | 0.591 | 72% | 0.723 | S | S | * | * | trans | -125.4 | 178.9 | -138.4 | 42.3 | -29.5 | 0 | 0 | 0 | 114.2 | ||||
| 1665 | F | 25.8 | Very low | 26 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | 179.4 | 154.5 | 113.4 | -101.8 | -73.9 | 0 | 0 | 0 | 110.9 | |||||
| 1666 | D | 23.4 | Very low | 26.5 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | -5.9 | 146.2 | 159.4 | -49.4 | -15.2 | 0 | 0 | 0 | 117.8 | ||||
| 1667 | I | 29.4 | Very low | 27.1 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | cis | -141.4 | 143.3 | 48.7 | -76.9 | 171.3 | 0 | 0 | 0 | 113.3 | ||||
| 1668 | S | 23.8 | Very low | 27.7 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | trans | -83.2 | 153 | 175.5 | -52 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1669 | L | 25.1 | Very low | 28 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | trans | 65.9 | 167.7 | 153.5 | -62.2 | 155.7 | 0 | 0 | 0 | 115 | ||||
| 1670 | E | 26.3 | Very low | 28.1 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | cis | -139 | 124.5 | 0.2 | -136.6 | 137.8 | -128.5 | 0 | 0 | 106 | ||||
| 1671 | L | 28.3 | Very low | 28.2 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 67% | 0.665 | 72% | 0.722 | S | S | * | * | 84.7 | 161.4 | 86.4 | -148.5 | 79.3 | 0 | 0 | 0 | 113.1 | |||||
| 1672 | E | 28.1 | Very low | 28.3 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | 67.8 | 145.6 | 155.7 | -84.2 | -160.4 | -148.7 | 0 | 0 | 120.5 | ||||
| 1673 | N | 30.7 | Very low | 28.7 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | cis | -149 | -144.6 | -10.9 | -147.3 | -26.5 | 0 | 0 | 0 | 106.9 | ||||
| 1674 | S | 29.6 | Very low | 29.1 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | cis | -165.1 | 166.5 | -7.2 | 24.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1675 | S | 26.6 | Very low | 29 | Very low | 81 Ų | 81 | 127.8 Ų | 127.8 | 57% | 0.566 | 71% | 0.709 | S | S | * | * | cis | -177.7 | 152.6 | -37.2 | 57.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1676 | T | 34.1 | Very low | 29.3 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | trans | 29.4 | 124.5 | 142.6 | 61.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1677 | I | 37.2 | Very low | 29.5 | Very low | 159 Ų | 159 | 125 Ų | 125 | 82% | 0.815 | 71% | 0.706 | S | S | * | * | trans | -144.4 | 142 | 152.8 | -69 | -176.9 | 0 | 0 | 0 | 106.3 | ||||
| 1678 | N | 36.1 | Very low | 29.7 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 60% | 0.599 | 70% | 0.701 | S | S | * | * | cis | -160.3 | 125.9 | -30.5 | -100.3 | -32.4 | 0 | 0 | 0 | 106.1 | ||||
| 1679 | K | 28.9 | Very low | 31 | Very low | 182 Ų | 182 | 124.4 Ų | 124.4 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | 78 | 114.6 | 98.1 | -68.9 | -174.3 | -178.6 | -176.8 | 0 | 118.6 | |||||
| 1680 | S | 25.5 | Very low | 31.8 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | 70.5 | 128.1 | 134.5 | 63.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1681 | A | 28.5 | Very low | 31.9 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | trans | 66.4 | 142.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1682 | T | 27.9 | Very low | 32.5 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | cis | -158.6 | 173.6 | -8.9 | 13.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1683 | C | 32.7 | Very low | 32.8 | Very low | 85 Ų | 85 | 125.2 Ų | 125.2 | 57% | 0.574 | 73% | 0.73 | S | S | * | * | S | Bend | cis | -155.6 | 165.5 | 7.8 | -123.9 | 0 | 0 | 0 | 0 | 105.8 | ||
| 1684 | D | 32.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -141.5 | 156.3 | -1.8 | -36.6 | -105.1 | 0 | 0 | 0 | 106.4 | ||
| 1685 | D | 29 | Very low | 33 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | S | Bend | cis | -165.3 | 148.6 | -20.9 | -115.1 | 16.5 | 0 | 0 | 0 | 107.4 | ||
| 1686 | V | 32.3 | Very low | 33.1 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | cis | -155.9 | 145.8 | -8.7 | 75.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1687 | D | 26.2 | Very low | 32.6 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | 64.6 | 158.1 | 156.2 | -83.7 | -28.1 | 0 | 0 | 0 | 121.5 | ||||
| 1688 | P | 34.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | -138.6 | 171.2 | -127.9 | 41.4 | -23 | 0 | 0 | 0 | 119.9 | |||||
| 1689 | P | 51 | Low | 31.8 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -127 | 153.7 | 178.4 | 41.4 | -28.9 | 0 | 0 | 0 | 117.9 | ||||
| 1690 | P | 41.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -145 | 148.1 | 172.9 | 39.2 | -21.3 | 0 | 0 | 0 | 120.6 | ||||
| 1691 | R | 28.9 | Very low | 31.5 | Very low | 242 Ų | 242 | 142.2 Ų | 142.2 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | 74.7 | 145.1 | 149.5 | -78.2 | -176.8 | -179.1 | -148.3 | -1.4 | 121.3 | ||||
| 1692 | P | 40.7 | Very low | 31.5 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | -146.3 | 177.8 | 73.1 | 41.2 | -23.2 | 0 | 0 | 0 | 117.7 | |||||
| 1693 | S | 33.3 | Very low | 31.5 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 179.3 | 139.9 | 157.7 | 28.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1694 | H | 32.2 | Very low | 31.4 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | 74.5 | 167.5 | 143.6 | -68.3 | -42.4 | 0 | 0 | 0 | 126.7 | ||||
| 1695 | R | 33.3 | Very low | 31.2 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -98.6 | 157.8 | -158.1 | -60.9 | 169.9 | 164.1 | 175.6 | -6.4 | 116.6 | ||||
| 1696 | R | 28 | Very low | 31.3 | Very low | 254 Ų | 254 | 139.8 Ų | 139.8 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | -172.5 | 178.3 | 124.6 | -116.3 | -171.9 | -174 | -151.1 | 3.1 | 116.6 | |||||
| 1697 | L | 24.2 | Very low | 31.1 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -111.2 | 139.6 | 179.2 | -97.6 | 170.8 | 0 | 0 | 0 | 113.3 | ||||
| 1698 | T | 30.5 | Very low | 31.5 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | 30.9 | 130.9 | 146.7 | 58 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1699 | S | 25.3 | Very low | 32 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -165.3 | 145.3 | 140.5 | 58.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1700 | L | 24 | Very low | 31.2 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | cis | 179.6 | 131.8 | -20.5 | -135.2 | 169.1 | 0 | 0 | 0 | 105.2 | ||||
| 1701 | S | 24.7 | Very low | 30.8 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | 71.1 | 151.8 | 153 | 73.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1702 | S | 27.9 | Very low | 30.9 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 98.2 | 135.9 | 149.4 | 86.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1703 | V | 29.6 | Very low | 30.5 | Very low | 122 Ų | 122 | 137 Ų | 137 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | cis | -160.5 | 144.6 | -16.2 | 110.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1704 | T | 28.9 | Very low | 30.4 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | 27.6 | 144.2 | 162.7 | 66.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1705 | G | 29.3 | Very low | 30.4 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | cis | 104.6 | 172.5 | 5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1706 | G | 30.1 | Very low | 30.1 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | 123.5 | 157.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1707 | K | 29.8 | Very low | 30.3 | Very low | 208 Ų | 208 | 122.2 Ų | 122.2 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | cis | -161.9 | 153.1 | -11.7 | -135 | 175.1 | -174.7 | -179.8 | 0 | 111.6 | ||||
| 1708 | S | 34.4 | Very low | 30.5 | Very low | 104 Ų | 104 | 121.5 Ų | 121.5 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -93.1 | 168.9 | 170.2 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1709 | P | 44.4 | Very low | 30.4 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | -123.9 | -176.6 | 128.3 | 40.8 | -32.8 | 0 | 0 | 0 | 109 | |||||
| 1710 | S | 34.2 | Very low | 30.5 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | cis | -171.7 | 158.4 | -5.8 | 32.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1711 | D | 32.9 | Very low | 30.9 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | cis | -171.6 | 172.4 | -21.1 | -94.1 | -41.9 | 0 | 0 | 0 | 108 | ||||
| 1712 | N | 31.9 | Very low | 31.2 | Very low | 156 Ų | 156 | 123.6 Ų | 123.6 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | trans | 72.5 | 140.5 | 169.2 | -60.8 | -42 | 0 | 0 | 0 | 117.6 | ||||
| 1713 | S | 31.7 | Very low | 31.3 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | cis | -157.9 | 136.7 | -1.4 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1714 | N | 31.1 | Very low | 31.4 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | 31.7 | 141.4 | 111.8 | -84 | 1.3 | 0 | 0 | 0 | 119.6 | |||||
| 1715 | I | 31.6 | Very low | 31.4 | Very low | 129 Ų | 129 | 125 Ų | 125 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | cis | -175.4 | 172.9 | 4.2 | -149.9 | 170.6 | 0 | 0 | 0 | 112 | ||||
| 1716 | N | 28.5 | Very low | 31.3 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | trans | 75.5 | 152.5 | 154.1 | -80.9 | 13.5 | 0 | 0 | 0 | 123.4 | ||||
| 1717 | T | 31.1 | Very low | 31.4 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 56% | 0.564 | 73% | 0.734 | S | S | * | * | cis | 179.8 | 149.5 | -33 | 33 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1718 | N | 28.8 | Very low | 31.8 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 63.5 | 161.9 | 135.1 | -68.5 | -8.2 | 0 | 0 | 0 | 123.5 | ||||
| 1719 | N | 28.4 | Very low | 31.4 | Very low | 128 Ų | 128 | 126 Ų | 126 | 68% | 0.684 | 73% | 0.727 | S | S | * | * | cis | -177.3 | 163 | -42.2 | -122 | -29.3 | 0 | 0 | 0 | 112.5 | ||||
| 1720 | L | 27.8 | Very low | 30.4 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | trans | 70.1 | 143.4 | 146.6 | -73.2 | 163.5 | 0 | 0 | 0 | 123.6 | ||||
| 1721 | I | 32.5 | Very low | 30.2 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | 142.1 | 131.6 | 157.9 | -80.5 | 162.1 | 0 | 0 | 0 | 108.8 | ||||
| 1722 | D | 30.1 | Very low | 30.1 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | cis | -168.2 | 166 | -38.1 | -115.4 | -33.9 | 0 | 0 | 0 | 110.3 | ||||
| 1723 | N | 29.4 | Very low | 29.9 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | 72.8 | 150.8 | 171.8 | -46.4 | -70.2 | 0 | 0 | 0 | 117.3 | ||||
| 1724 | V | 31.8 | Very low | 29.8 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | cis | -133.8 | 153.3 | 5 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1725 | S | 29 | Very low | 29.7 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | -65.5 | 176 | 173.8 | -49.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 1726 | S | 26.9 | Very low | 29.6 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | cis | -150.8 | -136.1 | 36.2 | -57.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1727 | P | 34 | Very low | 29.7 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -130.5 | 176.8 | -133 | 37.3 | -13.4 | 0 | 0 | 0 | 118.3 | ||||
| 1728 | P | 36.8 | Very low | 29.5 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -102.3 | -174.4 | 172 | 36.1 | -25.7 | 0 | 0 | 0 | 113.4 | ||||
| 1729 | I | 25.9 | Very low | 29.6 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | 146.9 | 129.4 | 139.9 | -78 | 161.7 | 0 | 0 | 0 | 116.1 | ||||
| 1730 | L | 24.8 | Very low | 29.5 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 59.1 | 157.7 | 157 | -78 | 167.1 | 0 | 0 | 0 | 122.1 | ||||
| 1731 | P | 29.3 | Very low | 29.7 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | -136.4 | 150.8 | 107.7 | 38.9 | -30.6 | 0 | 0 | 0 | 115.2 | |||||
| 1732 | P | 30.6 | Very low | 29.6 | Very low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | trans | -122.4 | 158.9 | 152.5 | 38.1 | -27.9 | 0 | 0 | 0 | 112.9 | ||||
| 1733 | R | 26.9 | Very low | 29.6 | Very low | 231 Ų | 231 | 132.5 Ų | 132.5 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -101.6 | 160.8 | 158.2 | -71.2 | -177.4 | 163.7 | 176.8 | -4.5 | 107.3 | ||||
| 1734 | I | 30.3 | Very low | 29.7 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 62% | 0.621 | 75% | 0.753 | S | S | * | * | cis | -164.6 | 163.3 | 22.7 | -147.7 | 165.4 | 0 | 0 | 0 | 112.8 | ||||
| 1735 | H | 29.2 | Very low | 29.7 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | trans | 58 | 143.8 | 159.4 | -69.6 | -58.3 | 0 | 0 | 0 | 120.3 | ||||
| 1736 | H | 30.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 137 Ų | 137 | 61% | 0.606 | 76% | 0.76 | S | S | * | * | cis | -170 | 143.9 | 12.6 | -118.3 | -51.5 | 0 | 0 | 0 | 111.9 | ||||
| 1737 | H | 30.6 | Very low | 30.1 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | 51.4 | 134.3 | 144.4 | -68.1 | -33.8 | 0 | 0 | 0 | 125.6 | ||||
| 1738 | G | 27.5 | Very low | 30 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | 156.8 | 104.5 | 133.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1739 | G | 30.4 | Very low | 29.7 | Very low | 81 Ų | 81 | 141.3 Ų | 141.3 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | 136.1 | 117.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1740 | E | 26.9 | Very low | 30.1 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -112.7 | -176.2 | -176.9 | -66.6 | -173.7 | 112.9 | 0 | 0 | 113.1 | ||||
| 1741 | V | 30.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 105.9 | 119.2 | 145.1 | -163.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1742 | H | 31.9 | Very low | 31.1 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 76.4 | 110.7 | 154.7 | -73.6 | -18.9 | 0 | 0 | 0 | 123.7 | ||||
| 1743 | S | 29.9 | Very low | 31 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | 63.2 | 136.1 | 110.9 | -53 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1744 | S | 31.7 | Very low | 31.2 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -166.4 | 147.7 | 22.8 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1745 | R | 31.4 | Very low | 31.3 | Very low | 232 Ų | 232 | 137 Ų | 137 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | trans | 49.3 | 147.5 | 132.2 | -57.3 | 175.6 | -179.6 | -175.3 | -0.1 | 119.2 | ||||
| 1746 | L | 31 | Very low | 31.3 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | cis | -138.6 | 172.1 | 18.2 | -85.3 | 93.2 | 0 | 0 | 0 | 108.5 | ||||
| 1747 | S | 32.2 | Very low | 31.3 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | -170.6 | 174.4 | -18.2 | 57 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1748 | K | 32.8 | Very low | 31.2 | Very low | 192 Ų | 192 | 133 Ų | 133 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | cis | -138.7 | -174.4 | 16.6 | -59 | 175.6 | 178.4 | 175.4 | 0 | 110 | ||||
| 1749 | N | 29.9 | Very low | 31.5 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | -112.3 | 161.9 | 174.2 | -51.8 | -19.8 | 0 | 0 | 0 | 111.6 | ||||
| 1750 | T | 34.6 | Very low | 31.4 | Very low | 154 Ų | 154 | 137 Ų | 137 | 95% | 0.945 | 74% | 0.735 | S | S | * | * | trans | -133.5 | 158.1 | 132.9 | -11 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1751 | S | 31.5 | Very low | 31.5 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | -140.7 | -174.4 | -142.1 | -37.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1752 | P | 42.3 | Very low | 31.4 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | -147.7 | -156.9 | -110.1 | 39.8 | -13.7 | 0 | 0 | 0 | 115.7 | |||||
| 1753 | I | 29.6 | Very low | 31.2 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | trans | 72.8 | 134 | 156.9 | -65 | 166.1 | 0 | 0 | 0 | 115.1 | ||||
| 1754 | I | 31.6 | Very low | 31 | Very low | 137 Ų | 137 | 136 Ų | 136 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | -164.2 | 127.9 | 91.5 | -84.5 | 176.9 | 0 | 0 | 0 | 110.6 | |||||
| 1755 | Q | 31 | Very low | 30.8 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | 43.8 | 151.6 | 137.2 | -59.6 | -177.4 | -95.7 | 0 | 0 | 122 | ||||
| 1756 | D | 29.8 | Very low | 30.6 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 58% | 0.583 | 72% | 0.72 | S | S | * | * | cis | -164.3 | 158.9 | -2.6 | -115.2 | -4.3 | 0 | 0 | 0 | 114.3 | ||||
| 1757 | N | 30 | Very low | 30.4 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | trans | 59 | 127 | 141.4 | -67.6 | -38.7 | 0 | 0 | 0 | 124.9 | ||||
| 1758 | N | 29.4 | Very low | 30 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | 74.6 | 145.7 | 129.9 | -66.2 | -15.7 | 0 | 0 | 0 | 120.8 | |||||
| 1759 | T | 32.4 | Very low | 29.6 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | cis | -160.1 | 147.5 | 3.4 | 4.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1760 | L | 30 | Very low | 29.4 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | trans | 62.6 | 140.2 | 152.6 | -58.3 | 164.9 | 0 | 0 | 0 | 118.6 | ||||
| 1761 | K | 27.4 | Very low | 28.9 | Very low | 154 Ų | 154 | 130 Ų | 130 | 67% | 0.67 | 72% | 0.723 | S | S | * | * | cis | 70.5 | 140.9 | 42 | -68 | 175.4 | 147.9 | -96 | 0 | 112.7 | ||||
| 1762 | E | 28.5 | Very low | 28.7 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | cis | -170.5 | 165.2 | -2.6 | -115.3 | 155.7 | -176.5 | 0 | 0 | 107.8 | ||||
| 1763 | D | 28 | Very low | 27.9 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | cis | -155.4 | -171.7 | 0.9 | -165.1 | 34 | 0 | 0 | 0 | 112.2 | ||||
| 1764 | N | 26.4 | Very low | 27.8 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | trans | -37.9 | 143.2 | 173.5 | -64.1 | -71.4 | 0 | 0 | 0 | 120.1 | ||||
| 1765 | L | 27.6 | Very low | 27.4 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | -180 | 169.1 | 110.6 | -99.7 | 161.2 | 0 | 0 | 0 | 113.8 | |||||
| 1766 | C | 26.8 | Very low | 27.3 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -102.7 | 161.5 | -171.8 | -52 | 0 | 0 | 0 | 0 | 114 | ||||
| 1767 | I | 26.8 | Very low | 27.3 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 80% | 0.795 | 76% | 0.757 | S | S | * | * | 175.9 | 136.7 | 118.6 | -90.3 | 160.5 | 0 | 0 | 0 | 113.1 | |||||
| 1768 | D | 23.3 | Very low | 27 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 23.1 | 135.8 | 156.6 | -55.9 | -23.7 | 0 | 0 | 0 | 126.3 | ||||
| 1769 | S | 24.8 | Very low | 26.9 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | 76.3 | 143.6 | 136.5 | 76.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1770 | G | 25.8 | Very low | 26.7 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 154.5 | 101.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1771 | L | 23.6 | Very low | 26.6 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | trans | -66.7 | 139 | 171.7 | -69.8 | 134.5 | 0 | 0 | 0 | 111.4 | ||||
| 1772 | T | 27.3 | Very low | 26.6 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | 168.5 | 148 | 110.2 | 36 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1773 | N | 25.2 | Very low | 26.7 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | 36.1 | 120.1 | 146.6 | -60.7 | -33.1 | 0 | 0 | 0 | 120.9 | ||||
| 1774 | L | 29 | Very low | 26.6 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | -159.5 | 106.5 | 109.8 | -113 | 168.3 | 0 | 0 | 0 | 113.3 | |||||
| 1775 | S | 23.1 | Very low | 26.8 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -96.5 | 120.1 | 165.6 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1776 | R | 27.1 | Very low | 26.9 | Very low | 228 Ų | 228 | 139.8 Ų | 139.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 173.9 | 119.9 | 165.3 | -99.1 | 156.8 | -166.8 | -170.5 | 5.7 | 106.2 | ||||
| 1777 | I | 30.8 | Very low | 27 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | -152 | 117.5 | 63.8 | -78.2 | 153.8 | 0 | 0 | 0 | 109.3 | |||||
| 1778 | L | 23.8 | Very low | 27.2 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -138.3 | 114 | 149.7 | -100.3 | 174 | 0 | 0 | 0 | 105.7 | ||||
| 1779 | S | 27.9 | Very low | 27.4 | Very low | 101 Ų | 101 | 144 Ų | 144 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -127.7 | 97.4 | -177.4 | 54.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1780 | N | 27.3 | Very low | 27.6 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -62.3 | 139.8 | 167.4 | -72.3 | -6 | 0 | 0 | 0 | 109.4 | ||||
| 1781 | N | 28 | Very low | 27.8 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -145.7 | 105.6 | 152 | -108.2 | -20.8 | 0 | 0 | 0 | 108 | ||||
| 1782 | V | 28.4 | Very low | 28.4 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -96.3 | 118.7 | 171.4 | 174.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1783 | T | 28.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | -121 | 92 | 167.4 | 51.1 | 0 | 0 | 0 | 0 | 109 | I1785 | T1783-I1785 PolarHBondContact O-N 2.75Š| ||
| 1784 | N | 27.1 | Very low | 28.9 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -72 | 119.2 | 172 | -100.1 | -35.8 | 0 | 0 | 0 | 110.2 | ||||
| 1785 | I | 31.2 | Very low | 29.4 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | trans | -128.2 | 115.7 | 160.4 | -62.9 | -176.9 | 0 | 0 | 0 | 108.3 | T1783 | T1783-I1785 PolarHBondContact O-N 2.75Š| ||
| 1786 | N | 27.9 | Very low | 30.1 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -69.2 | 134.6 | 173.8 | -72.6 | -71.3 | 0 | 0 | 0 | 111.1 | ||||
| 1787 | R | 30.5 | Very low | 30.3 | Very low | 232 Ų | 232 | 138.4 Ų | 138.4 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | 177.3 | 119 | 116.6 | -98.8 | 168.4 | -175.8 | -176.4 | 1.8 | 116 | |||||
| 1788 | S | 29.6 | Very low | 30.8 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | 44.3 | 116.3 | 132.4 | 64.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1789 | L | 28.7 | Very low | 31.7 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | 74.4 | 151.5 | 126.4 | -71.6 | 165.4 | 0 | 0 | 0 | 122.2 | |||||
| 1790 | S | 28.9 | Very low | 31.9 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 69.2 | 113.4 | 163.2 | 44.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1791 | S | 30.4 | Very low | 32.2 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -62.7 | 168.9 | 145 | 54 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1792 | P | 35.9 | Very low | 32.6 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | cis | -153.4 | 178.8 | 31 | 45.4 | -24.4 | 0 | 0 | 0 | 120.6 | ||||
| 1793 | L | 28.4 | Very low | 33.1 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | trans | 72.8 | 160.2 | 155.8 | -97.3 | 75.8 | 0 | 0 | 0 | 120.5 | ||||
| 1794 | P | 35 | Very low | 33.4 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | trans | -108.6 | 171.1 | -155 | 42.4 | -39.6 | 0 | 0 | 0 | 116.9 | ||||
| 1795 | P | 39.2 | Very low | 34.1 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 163.6 | 174.6 | 33.1 | -36.9 | 0 | 0 | 0 | 114.9 | ||
| 1796 | P | 36.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 162.2 | -163.5 | 38.5 | -37.2 | 0 | 0 | 0 | 117 | ||
| 1797 | L | 32.8 | Very low | 34.8 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 150.1 | 163 | -76 | 165.8 | 0 | 0 | 0 | 110.6 | ||
| 1798 | P | 41.3 | Very low | 35 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | -154.2 | -172.8 | 116.4 | 38 | -19.6 | 0 | 0 | 0 | 113.8 | |||||
| 1799 | P | 42.7 | Very low | 35.3 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | cis | -136.4 | 165.6 | -45.6 | 35.8 | -20.8 | 0 | 0 | 0 | 114.1 | ||||
| 1800 | K | 31.4 | Very low | 35.6 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | 179.5 | 141.2 | 121.2 | -101.2 | 158.6 | -174.9 | 170.4 | 0 | 116.3 | |||||
| 1801 | K | 34 | Very low | 36 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | 80 | 107.2 | 153.6 | -72.6 | -171.9 | 174.4 | -171.8 | 0 | 121.8 | ||||
| 1802 | S | 35.7 | Very low | 36.4 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | 88.9 | 108.6 | 120.2 | 63.7 | 0 | 0 | 0 | 0 | 123 | |||||
| 1803 | T | 39.8 | Very low | 36.4 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 73% | 0.73 | 82% | 0.815 | S | S | * | * | 74.1 | 94.4 | 130 | 51.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1804 | T | 34.6 | Very low | 37 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | 61.6 | 147.8 | 111 | 50.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1805 | P | 41.5 | Very low | 37.2 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | -129.6 | 177.2 | -126.9 | 44.2 | -31.8 | 0 | 0 | 0 | 116.1 | |||||
| 1806 | N | 38.8 | Very low | 37 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | 176.4 | 100.2 | 131.2 | -94.2 | -6.5 | 0 | 0 | 0 | 112.6 | ||||
| 1807 | T | 34.6 | Very low | 37 | Very low | 224 Ų | 224 | 145.8 Ų | 145.8 | 100% | 1.374 | 83% | 0.826 | S | S | * | * | trans | -170.7 | 0 | 133.5 | 21.3 | 0 | 0 | 0 | 0 | 109 |
Retrieved 1,807 of 1,807 residues in 2707.9 ms
(Link to these results)