| 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 | 46.8 | Very low | 55 | Low | 245 Ų | 245 | 96.7 Ų | 96.7 | 100% | 1.207 | 50% | 0.499 | S | S | * | . | 0 | 118.3 | 0 | -81.3 | 171.9 | 162.8 | 0 | 0 | 106.5 | |||||
| 2 | M | 50.9 | Low | 55.2 | Low | 65 Ų | 65 | 92.6 Ų | 92.6 | 32% | 0.32 | 49% | 0.49 | S | S | . | . | trans | -66.8 | 135.3 | 173.5 | -83 | -175.5 | 161.3 | 0 | 0 | 109.5 | L6 M10 D48 | M2-L6 HydrophobicContact CB-CD2 4.22Å; M2-L6 HydrophobicContact CE-CD2 3.88Å; M2-L6 HydrophobicContact CG-CD2 3.75Å; M2-L6 HydrophobicContact SD-CD2 4.04Å; M2-M10 HydrophobicContact CE-CE 3.68Å; M2-M10 HydrophobicContact CE-SD 3.32Å; M2-M10 WeakPolarHBondContact CE-SD 3.43Å; M2-M10 HydrophobicContact SD-SD 3.7Å; M2-D48 HydrophobicContact SD-CB 4.44Å | ||
| 3 | D | 62.4 | Low | 55.8 | Low | 125 Ų | 125 | 92.7 Ų | 92.7 | 67% | 0.668 | 48% | 0.484 | S | S | * | . | trans | -62.5 | 142.4 | 174.3 | -117.6 | -56.3 | 0 | 0 | 0 | 110.6 | T5 L6 R7 | D3-T5 PolarHBondContact O-N 2.86Å; D3-T5 VanDerWaalsContact O-N 3.08Å; D3-L6 HydrophobicContact CB-CB 4.35Å; D3-L6 WeakPolarHBondContact O-CA 3.47Å; D3-L6 WeakPolarHBondContact O-CB 3.42Å; D3-L6 PolarHBondContact O-N 2.94Å; D3-R7 PolarHBondContact O-N 2.75Å | ||
| 4 | G | 61.1 | Low | 56.5 | Low | 46 Ų | 46 | 86.6 Ų | 86.6 | 47% | 0.474 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.8 | -28.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K8 | G4-K8 WeakPolarHBondContact O-CG 3.25Å; G4-K8 PolarHBondContact O-N 2.86Å |
| 5 | T | 58.6 | Low | 56.7 | Low | 90 Ų | 90 | 87.7 Ų | 87.7 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.7 | -45.7 | 173 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | D3 R7 K8 M9 | D3-T5 PolarHBondContact O-N 2.86Å; D3-T5 VanDerWaalsContact O-N 3.08Å; T5-R7 VanDerWaalsContact C-N 3.29Å; T5-R7 PolarHBondContact O-N 3.31Å; T5-K8 PolarHBondContact O-N 2.67Å; T5-M9 HydrophobicContact CG2-CE 3.91Å; T5-M9 WeakPolarHBondContact O-CG 3.24Å; T5-M9 PolarHBondContact O-N 2.84Å |
| 6 | L | 50.8 | Low | 56.8 | Low | 80 Ų | 80 | 86.8 Ų | 86.8 | 42% | 0.419 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 177.4 | -165.5 | 85.2 | 0 | 0 | 0 | 110 | M2 D3 K8 M9 M10 | M2-L6 HydrophobicContact CB-CD2 4.22Å; M2-L6 HydrophobicContact CE-CD2 3.88Å; M2-L6 HydrophobicContact CG-CD2 3.75Å; M2-L6 HydrophobicContact SD-CD2 4.04Å; D3-L6 HydrophobicContact CB-CB 4.35Å; D3-L6 WeakPolarHBondContact O-CA 3.47Å; D3-L6 WeakPolarHBondContact O-CB 3.42Å; D3-L6 PolarHBondContact O-N 2.94Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.21Å; L6-M9 PolarHBondContact O-N 2.77Å; L6-M9 VanDerWaalsContact O-N 3.14Å; L6-M10 HydrophobicContact CD2-SD 4.2Å; L6-M10 HydrophobicContact CG-SD 4.2Å; L6-M10 VanDerWaalsContact O-CG 3.31Å; L6-M10 WeakPolarHBondContact O-CG 3.46Å; L6-M10 PolarHBondContact O-N 2.65Å |
| 7 | R | 52.2 | Low | 57.1 | Low | 82 Ų | 82 | 82.2 Ų | 82.2 | 31% | 0.309 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -53.7 | -48.6 | 176.2 | -161.5 | -179.8 | 179.5 | -126.7 | -5.1 | 112.1 | D3 T5 M10 I11 G50 C51 D54 | D3-R7 PolarHBondContact O-N 2.75Å; T5-R7 VanDerWaalsContact C-N 3.29Å; T5-R7 PolarHBondContact O-N 3.31Å; R7-M10 PolarHBondContact O-N 3.16Å; R7-I11 HydrophobicContact CG-CD1 4.32Å; R7-I11 VanDerWaalsContact O-CG1 3.26Å; R7-I11 WeakPolarHBondContact O-CG1 3.41Å; R7-I11 PolarHBondContact O-N 3.01Å; R7-G50 PolarHBondContact NH2-O 3.36Å; R7-C51 WeakPolarHBondContact CG-SG 3.46Å; R7-D54 IonicContact CZ-OD2 3.07Å; R7-D54 IonicContact NH1-OD2 2.98Å; R7-D54 PolarHBondContact NH1-OD2 3.43Å; R7-D54 IonicContact NH2-OD2 2.63Å; R7-D54 PolarHBondContact NH2-OD2 3.38Å |
| 8 | K | 55.4 | Low | 57.2 | Low | 161 Ų | 161 | 79.6 Ų | 79.6 | 70% | 0.7 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.6 | -41.3 | 178.2 | -73.2 | 178.2 | -179 | 179.9 | 0 | 112.6 | G4 T5 L6 M10 I11 A12 | G4-K8 WeakPolarHBondContact O-CG 3.25Å; G4-K8 PolarHBondContact O-N 2.86Å; T5-K8 PolarHBondContact O-N 2.67Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.21Å; K8-M10 VanDerWaalsContact C-N 3.3Å; K8-M10 PolarHBondContact O-N 3.21Å; K8-I11 PolarHBondContact O-N 3.21Å; K8-A12 WeakPolarHBondContact O-CB 3.31Å; K8-A12 PolarHBondContact O-N 3.49Å |
| 9 | M | 52.1 | Low | 57 | Low | 126 Ų | 126 | 78 Ų | 78 | 62% | 0.621 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 177.4 | -71.3 | -176.5 | 179.9 | 0 | 0 | 111.5 | T5 L6 A12 F13 | T5-M9 HydrophobicContact CG2-CE 3.91Å; T5-M9 WeakPolarHBondContact O-CG 3.24Å; T5-M9 PolarHBondContact O-N 2.84Å; L6-M9 PolarHBondContact O-N 2.77Å; L6-M9 VanDerWaalsContact O-N 3.14Å; M9-A12 PolarHBondContact O-N 3.38Å; M9-F13 WeakPolarHBondContact O-CB 3.48Å; M9-F13 PolarHBondContact O-N 3.01Å |
| 10 | M | 55.6 | Low | 56.7 | Low | 19 Ų | 19 | 80.8 Ų | 80.8 | 9% | 0.094 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.6 | -43 | 178.3 | -72 | -178.4 | 89.5 | 0 | 0 | 112.5 | M2 L6 R7 K8 F13 A14 D44 V45 | M2-M10 HydrophobicContact CE-CE 3.68Å; M2-M10 HydrophobicContact CE-SD 3.32Å; M2-M10 WeakPolarHBondContact CE-SD 3.43Å; M2-M10 HydrophobicContact SD-SD 3.7Å; L6-M10 HydrophobicContact CD2-SD 4.2Å; L6-M10 HydrophobicContact CG-SD 4.2Å; L6-M10 VanDerWaalsContact O-CG 3.31Å; L6-M10 WeakPolarHBondContact O-CG 3.46Å; L6-M10 PolarHBondContact O-N 2.65Å; R7-M10 PolarHBondContact O-N 3.16Å; K8-M10 VanDerWaalsContact C-N 3.3Å; K8-M10 PolarHBondContact O-N 3.21Å; M10-F13 PolarHBondContact O-N 2.82Å; M10-A14 WeakPolarHBondContact O-CB 3.49Å; M10-A14 PolarHBondContact O-N 3.41Å; M10-D44 HydrophobicContact CE-CB 3.49Å; M10-D44 VanDerWaalsContact CE-CB 3.49Å; M10-D44 WeakPolarHBondContact CE-O 3.47Å; M10-D44 VanDerWaalsContact CE-OD2 3.26Å; M10-D44 WeakPolarHBondContact CE-OD2 3.38Å; M10-V45 HydrophobicContact CB-CG2 3.94Å; M10-V45 HydrophobicContact CE-CB 4.42Å; M10-V45 HydrophobicContact CE-CG2 3.9Å |
| 11 | I | 59.1 | Low | 56.4 | Low | 25 Ų | 25 | 78.4 Ų | 78.4 | 13% | 0.128 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 173.4 | -67.5 | 170.1 | 0 | 0 | 0 | 110.3 | R7 K8 F13 A14 Q15 D54 I55 | R7-I11 HydrophobicContact CG-CD1 4.32Å; R7-I11 VanDerWaalsContact O-CG1 3.26Å; R7-I11 WeakPolarHBondContact O-CG1 3.41Å; R7-I11 PolarHBondContact O-N 3.01Å; K8-I11 PolarHBondContact O-N 3.21Å; I11-F13 VanDerWaalsContact C-N 3.32Å; I11-F13 PolarHBondContact O-N 2.92Å; I11-A14 PolarHBondContact O-N 3.48Å; I11-Q15 WeakPolarHBondContact O-CG 3.39Å; I11-Q15 PolarHBondContact O-N 3.38Å; I11-D54 HydrophobicContact CD1-CB 3.9Å; I11-I55 HydrophobicContact CB-CD1 4.45Å; I11-I55 HydrophobicContact CB-CG1 4.03Å; I11-I55 HydrophobicContact CG1-CD1 3.97Å; I11-I55 HydrophobicContact CG1-CG1 3.73Å; I11-I55 HydrophobicContact CG2-CG1 3.83Å |
| 12 | A | 57.5 | Low | 56.5 | Low | 47 Ų | 47 | 72.2 Ų | 72.2 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K8 M9 Q15 V16 | K8-A12 WeakPolarHBondContact O-CB 3.31Å; K8-A12 PolarHBondContact O-N 3.49Å; M9-A12 PolarHBondContact O-N 3.38Å; A12-Q15 PolarHBondContact O-N 3.3Å; A12-V16 WeakPolarHBondContact O-CB 3.23Å; A12-V16 VanDerWaalsContact O-CG2 3.24Å; A12-V16 WeakPolarHBondContact O-CG2 3.24Å; A12-V16 PolarHBondContact O-N 3.36Å |
| 13 | F | 62.3 | Low | 56.2 | Low | 94 Ų | 94 | 76.4 Ų | 76.4 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.4 | -177.7 | -92.8 | 0 | 0 | 0 | 111.7 | M9 M10 I11 Q15 V16 V17 A41 | M9-F13 WeakPolarHBondContact O-CB 3.48Å; M9-F13 PolarHBondContact O-N 3.01Å; M10-F13 PolarHBondContact O-N 2.82Å; I11-F13 VanDerWaalsContact C-N 3.32Å; I11-F13 PolarHBondContact O-N 2.92Å; F13-Q15 VanDerWaalsContact C-N 3.35Å; F13-Q15 PolarHBondContact O-N 2.81Å; F13-V16 PolarHBondContact O-N 2.95Å; F13-V17 HydrophobicContact CD1-CG2 4.02Å; F13-V17 HydrophobicContact CE1-CG2 3.54Å; F13-V17 HydrophobicContact CE2-CG2 4.34Å; F13-V17 HydrophobicContact CZ-CG2 3.74Å; F13-V17 WeakPolarHBondContact O-CG2 3.33Å; F13-V17 PolarHBondContact O-N 3.09Å; F13-A41 HydrophobicContact CD1-CB 3.97Å; F13-A41 HydrophobicContact CE1-CB 3.27Å; F13-A41 HydrophobicContact CZ-CB 3.93Å |
| 14 | A | 66.6 | Low | 55.2 | Low | 7 Ų | 7 | 71.7 Ų | 71.7 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | M10 I11 V17 I18 V45 I55 | M10-A14 WeakPolarHBondContact O-CB 3.49Å; M10-A14 PolarHBondContact O-N 3.41Å; I11-A14 PolarHBondContact O-N 3.48Å; A14-V17 PolarHBondContact O-N 3.33Å; A14-I18 WeakPolarHBondContact O-CB 3.43Å; A14-I18 WeakPolarHBondContact O-CD1 3.38Å; A14-I18 WeakPolarHBondContact O-CG1 3.27Å; A14-I18 PolarHBondContact O-N 3.39Å; A14-V45 HydrophobicContact CB-CG1 3.97Å; A14-V45 HydrophobicContact CB-CG2 4.3Å; A14-I55 HydrophobicContact CB-CD1 4.01Å; A14-I55 HydrophobicContact CB-CG2 4.28Å |
| 15 | Q | 59.7 | Low | 54.4 | Low | 103 Ų | 103 | 72.2 Ų | 72.2 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 175 | -73.9 | 179.6 | -23.5 | 0 | 0 | 112.3 | I11 A12 F13 V17 I18 A19 | I11-Q15 WeakPolarHBondContact O-CG 3.39Å; I11-Q15 PolarHBondContact O-N 3.38Å; A12-Q15 PolarHBondContact O-N 3.3Å; F13-Q15 VanDerWaalsContact C-N 3.35Å; F13-Q15 PolarHBondContact O-N 2.81Å; Q15-V17 VanDerWaalsContact C-N 3.34Å; Q15-I18 PolarHBondContact O-N 3.38Å; Q15-A19 VanDerWaalsContact O-CB 3.25Å; Q15-A19 WeakPolarHBondContact O-CB 3.45Å; Q15-A19 PolarHBondContact O-N 2.78Å |
| 16 | V | 57.8 | Low | 53.6 | Low | 73 Ų | 73 | 75.6 Ų | 75.6 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 175.4 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | A12 F13 A19 W20 | A12-V16 WeakPolarHBondContact O-CB 3.23Å; A12-V16 VanDerWaalsContact O-CG2 3.24Å; A12-V16 WeakPolarHBondContact O-CG2 3.24Å; A12-V16 PolarHBondContact O-N 3.36Å; F13-V16 PolarHBondContact O-N 2.95Å; V16-A19 PolarHBondContact O-N 3.07Å; V16-W20 HydrophobicContact CG1-CG 4.42Å; V16-W20 VanDerWaalsContact O-CB 3.24Å; V16-W20 WeakPolarHBondContact O-CB 3.38Å; V16-W20 PolarHBondContact O-N 2.88Å |
| 17 | V | 61.7 | Low | 53.1 | Low | 10 Ų | 10 | 78.3 Ų | 78.3 | 6% | 0.061 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | F13 A14 Q15 W20 C21 L31 L38 M42 | F13-V17 HydrophobicContact CD1-CG2 4.02Å; F13-V17 HydrophobicContact CE1-CG2 3.54Å; F13-V17 HydrophobicContact CE2-CG2 4.34Å; F13-V17 HydrophobicContact CZ-CG2 3.74Å; F13-V17 WeakPolarHBondContact O-CG2 3.33Å; F13-V17 PolarHBondContact O-N 3.09Å; A14-V17 PolarHBondContact O-N 3.33Å; Q15-V17 VanDerWaalsContact C-N 3.34Å; V17-W20 WeakPolarHBondContact O-CB 3.49Å; V17-W20 PolarHBondContact O-N 3.45Å; V17-C21 PolarHBondContact O-N 3.26Å; V17-C21 PolarHBondContact O-SG 3.43Å; V17-L31 HydrophobicContact CG1-CD2 4.5Å; V17-L38 HydrophobicContact CG1-CD1 3.9Å; V17-L38 HydrophobicContact CG1-CD2 3.6Å; V17-L38 HydrophobicContact CG1-CG 3.93Å; V17-L38 HydrophobicContact CG2-CD1 4.34Å; V17-M42 HydrophobicContact CB-CE 4.43Å; V17-M42 HydrophobicContact CG1-CE 3.52Å |
| 18 | I | 59.4 | Low | 52.4 | Low | 35 Ų | 35 | 78.5 Ų | 78.5 | 18% | 0.179 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 175.9 | -68 | 163.9 | 0 | 0 | 0 | 110.1 | A14 Q15 W20 C21 Y22 I55 L76 I80 | A14-I18 WeakPolarHBondContact O-CB 3.43Å; A14-I18 WeakPolarHBondContact O-CD1 3.38Å; A14-I18 WeakPolarHBondContact O-CG1 3.27Å; A14-I18 PolarHBondContact O-N 3.39Å; Q15-I18 PolarHBondContact O-N 3.38Å; I18-W20 VanDerWaalsContact C-N 3.3Å; I18-W20 PolarHBondContact O-N 3Å; I18-C21 WeakPolarHBondContact O-CB 3.49Å; I18-C21 PolarHBondContact O-N 2.95Å; I18-C21 VanDerWaalsContact O-N 3.09Å; I18-Y22 HydrophobicContact CG2-CD2 3.85Å; I18-Y22 HydrophobicContact CG2-CE2 4Å; I18-Y22 WeakPolarHBondContact O-CD2 3.22Å; I18-Y22 PolarHBondContact O-N 3.49Å; I18-I55 HydrophobicContact CD1-CG2 4.17Å; I18-L76 HydrophobicContact CG2-CD2 4Å; I18-I80 HydrophobicContact CD1-CD1 4.4Å; I18-I80 HydrophobicContact CG1-CD1 4.37Å |
| 19 | A | 54 | Low | 51.7 | Low | 49 Ų | 49 | 74.9 Ų | 74.9 | 41% | 0.405 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q15 V16 C21 Y22 D23 | Q15-A19 VanDerWaalsContact O-CB 3.25Å; Q15-A19 WeakPolarHBondContact O-CB 3.45Å; Q15-A19 PolarHBondContact O-N 2.78Å; V16-A19 PolarHBondContact O-N 3.07Å; A19-C21 VanDerWaalsContact C-N 3.29Å; A19-C21 PolarHBondContact O-N 3.23Å; A19-Y22 PolarHBondContact O-N 3.35Å; A19-Y22 VanDerWaalsContact O-N 3.07Å; A19-D23 WeakPolarHBondContact O-CB 3.41Å; A19-D23 PolarHBondContact O-N 3.49Å |
| 20 | W | 50.1 | Low | 51.1 | Low | 133 Ų | 133 | 71.7 Ų | 71.7 | 50% | 0.504 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 174.7 | -88.2 | 42.8 | 0 | 0 | 0 | 113 | V16 V17 I18 | V16-W20 HydrophobicContact CG1-CG 4.42Å; V16-W20 VanDerWaalsContact O-CB 3.24Å; V16-W20 WeakPolarHBondContact O-CB 3.38Å; V16-W20 PolarHBondContact O-N 2.88Å; V17-W20 WeakPolarHBondContact O-CB 3.49Å; V17-W20 PolarHBondContact O-N 3.45Å; I18-W20 VanDerWaalsContact C-N 3.3Å; I18-W20 PolarHBondContact O-N 3Å |
| 21 | C | 50.3 | Low | 50.3 | Low | 32 Ų | 32 | 72 Ų | 72 | 22% | 0.216 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.7 | -36.6 | 172.9 | -69.4 | 0 | 0 | 0 | 0 | 111.9 | V17 I18 A19 L28 | V17-C21 PolarHBondContact O-N 3.26Å; V17-C21 PolarHBondContact O-SG 3.43Å; I18-C21 WeakPolarHBondContact O-CB 3.49Å; I18-C21 PolarHBondContact O-N 2.95Å; I18-C21 VanDerWaalsContact O-N 3.09Å; A19-C21 VanDerWaalsContact C-N 3.29Å; A19-C21 PolarHBondContact O-N 3.23Å; C21-L28 HydrophobicContact CB-CD1 4.06Å; C21-L28 VanDerWaalsContact SG-CD1 3.57Å |
| 22 | Y | 48.2 | Very low | 49.6 | Very low | 115 Ų | 115 | 76.6 Ų | 76.6 | 45% | 0.451 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -76.9 | -38.4 | -179.8 | -92.5 | -82.2 | 0 | 0 | 0 | 114.2 | I18 A19 G24 L76 | I18-Y22 HydrophobicContact CG2-CD2 3.85Å; I18-Y22 HydrophobicContact CG2-CE2 4Å; I18-Y22 WeakPolarHBondContact O-CD2 3.22Å; I18-Y22 PolarHBondContact O-N 3.49Å; A19-Y22 PolarHBondContact O-N 3.35Å; A19-Y22 VanDerWaalsContact O-N 3.07Å; Y22-G24 PolarHBondContact O-N 2.86Å; Y22-L76 HydrophobicContact CE2-CD1 4.01Å; Y22-L76 HydrophobicContact CE2-CD2 4.05Å |
| 23 | D | 45.3 | Very low | 49.1 | Very low | 153 Ų | 153 | 81.1 Ų | 81.1 | 82% | 0.818 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -72.1 | -12.3 | -172.1 | -140.8 | -38.8 | 0 | 0 | 0 | 113.3 | A19 | A19-D23 WeakPolarHBondContact O-CB 3.41Å; A19-D23 PolarHBondContact O-N 3.49Å |
| 24 | G | 41.3 | Very low | 48.2 | Very low | 25 Ų | 25 | 81.9 Ų | 81.9 | 26% | 0.258 | 45% | 0.452 | S | S | . | . | trans | 173.5 | 112.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y22 L26 R27 | Y22-G24 PolarHBondContact O-N 2.86Å; G24-L26 PolarHBondContact O-N 2.83Å; G24-R27 PolarHBondContact O-N 3.18Å | ||
| 25 | G | 43.9 | Very low | 47.2 | Very low | 57 Ų | 57 | 84 Ų | 84 | 59% | 0.588 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -14.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R27 L28 | G25-R27 VanDerWaalsContact C-N 3.33Å; G25-R27 PolarHBondContact O-N 3.39Å; G25-L28 WeakPolarHBondContact O-CB 3.27Å; G25-L28 PolarHBondContact O-N 2.91Å |
| 26 | L | 42 | Very low | 46.5 | Very low | 162 Ų | 162 | 82.4 Ų | 82.4 | 85% | 0.848 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.5 | 168.4 | -86.8 | 142.4 | 0 | 0 | 0 | 114.4 | G24 | G24-L26 PolarHBondContact O-N 2.83Š|
| 27 | R | 39.7 | Very low | 45.6 | Very low | 137 Ų | 137 | 83.3 Ų | 83.3 | 52% | 0.517 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -13.6 | 179.1 | -74.5 | -169.6 | 174.6 | -180 | 2.4 | 113.7 | G24 G25 S29 A30 L31 | G24-R27 PolarHBondContact O-N 3.18Å; G25-R27 VanDerWaalsContact C-N 3.33Å; G25-R27 PolarHBondContact O-N 3.39Å; R27-S29 PolarHBondContact O-N 2.81Å; R27-A30 WeakPolarHBondContact O-CA 3.47Å; R27-A30 WeakPolarHBondContact O-CB 3.28Å; R27-A30 PolarHBondContact O-N 3.4Å; R27-L31 WeakPolarHBondContact O-CD1 3.18Å; R27-L31 PolarHBondContact O-N 3.29Å |
| 28 | L | 39 | Very low | 44.7 | Very low | 86 Ų | 86 | 84.3 Ų | 84.3 | 45% | 0.45 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -32.4 | 173.9 | -149.4 | 80.9 | 0 | 0 | 0 | 111.4 | C21 G25 A30 L31 N32 | C21-L28 HydrophobicContact CB-CD1 4.06Å; C21-L28 VanDerWaalsContact SG-CD1 3.57Å; G25-L28 WeakPolarHBondContact O-CB 3.27Å; G25-L28 PolarHBondContact O-N 2.91Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-L31 HydrophobicContact CD1-CD2 4.48Å; L28-L31 VanDerWaalsContact O-CB 3.27Å; L28-L31 WeakPolarHBondContact O-CB 3.13Å; L28-L31 PolarHBondContact O-N 3.23Å; L28-N32 PolarHBondContact O-N 3.44Å |
| 29 | S | 39.6 | Very low | 44.2 | Very low | 85 Ų | 85 | 82.9 Ų | 82.9 | 59% | 0.594 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.6 | -35.9 | 172.2 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | R27 N32 | R27-S29 PolarHBondContact O-N 2.81Å; S29-N32 PolarHBondContact O-N 3.43Å |
| 30 | A | 40.1 | Very low | 43.8 | Very low | 58 Ų | 58 | 83.6 Ų | 83.6 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.8 | -34.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R27 L28 N32 N33 N34 | R27-A30 WeakPolarHBondContact O-CA 3.47Å; R27-A30 WeakPolarHBondContact O-CB 3.28Å; R27-A30 PolarHBondContact O-N 3.4Å; L28-A30 VanDerWaalsContact C-N 3.35Å; A30-N32 VanDerWaalsContact C-N 3.33Å; A30-N33 PolarHBondContact O-N 2.97Å; A30-N34 PolarHBondContact O-N 2.9Å |
| 31 | L | 38.8 | Very low | 43.6 | Very low | 27 Ų | 27 | 78.4 Ų | 78.4 | 14% | 0.141 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 170.5 | -99.4 | 91.6 | 0 | 0 | 0 | 112.1 | V17 R27 L28 N33 N34 S35 L38 | V17-L31 HydrophobicContact CG1-CD2 4.5Å; R27-L31 WeakPolarHBondContact O-CD1 3.18Å; R27-L31 PolarHBondContact O-N 3.29Å; L28-L31 HydrophobicContact CD1-CD2 4.48Å; L28-L31 VanDerWaalsContact O-CB 3.27Å; L28-L31 WeakPolarHBondContact O-CB 3.13Å; L28-L31 PolarHBondContact O-N 3.23Å; L31-N33 VanDerWaalsContact C-N 3.25Å; L31-N33 PolarHBondContact O-N 2.92Å; L31-N34 CarbonylContact O-C 3.23Å; L31-N34 VanDerWaalsContact O-C 3.23Å; L31-N34 PolarHBondContact O-N 3.23Å; L31-S35 WeakPolarHBondContact O-CA 3.47Å; L31-S35 PolarHBondContact O-N 3.3Å; L31-L38 HydrophobicContact CD1-CD1 4.47Å; L31-L38 HydrophobicContact CD2-CD1 3.31Å; L31-L38 HydrophobicContact CD2-CD2 3.56Å; L31-L38 HydrophobicContact CD2-CG 4.03Å; L31-L38 HydrophobicContact CG-CD1 3.53Å |
| 32 | N | 44.3 | Very low | 43.6 | Very low | 120 Ų | 120 | 77.9 Ų | 77.9 | 64% | 0.642 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.1 | -37.5 | -178.2 | -158.5 | 27.2 | 0 | 0 | 0 | 111.9 | L28 S29 A30 N34 S35 | L28-N32 PolarHBondContact O-N 3.44Å; S29-N32 PolarHBondContact O-N 3.43Å; A30-N32 VanDerWaalsContact C-N 3.33Å; N32-N34 VanDerWaalsContact C-N 3.26Å; N32-N34 PolarHBondContact O-N 2.97Å; N32-S35 WeakPolarHBondContact O-CB 3.36Å; N32-S35 PolarHBondContact O-N 2.87Å; N32-S35 PolarHBondContact O-OG 2.94Å |
| 33 | N | 46.7 | Very low | 43.7 | Very low | 142 Ų | 142 | 73.7 Ų | 73.7 | 76% | 0.759 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67 | -27.3 | 175.5 | -72.4 | -9.6 | 0 | 0 | 0 | 113.1 | A30 L31 | A30-N33 PolarHBondContact O-N 2.97Å; L31-N33 VanDerWaalsContact C-N 3.25Å; L31-N33 PolarHBondContact O-N 2.92Å |
| 34 | N | 43.5 | Very low | 43.6 | Very low | 111 Ų | 111 | 70.3 Ų | 70.3 | 59% | 0.594 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 21.3 | 179 | -71.7 | -19.7 | 0 | 0 | 0 | 112.6 | A30 L31 N32 A36 C37 L38 | A30-N34 PolarHBondContact O-N 2.9Å; L31-N34 CarbonylContact O-C 3.23Å; L31-N34 VanDerWaalsContact O-C 3.23Å; L31-N34 PolarHBondContact O-N 3.23Å; N32-N34 VanDerWaalsContact C-N 3.26Å; N32-N34 PolarHBondContact O-N 2.97Å; N34-A36 PolarHBondContact O-N 3.29Å; N34-C37 WeakPolarHBondContact O-CB 3.49Å; N34-C37 PolarHBondContact O-N 3.38Å; N34-L38 PolarHBondContact O-N 2.94Å |
| 35 | S | 45.1 | Very low | 43.9 | Very low | 50 Ų | 50 | 69.3 Ų | 69.3 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -55.1 | -32.3 | -171.2 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | L31 N32 L38 S39 | L31-S35 WeakPolarHBondContact O-CA 3.47Å; L31-S35 PolarHBondContact O-N 3.3Å; N32-S35 WeakPolarHBondContact O-CB 3.36Å; N32-S35 PolarHBondContact O-N 2.87Å; N32-S35 PolarHBondContact O-OG 2.94Å; S35-L38 PolarHBondContact O-N 2.63Å; S35-S39 WeakPolarHBondContact O-CB 3.44Å; S35-S39 PolarHBondContact O-N 2.98Å; S35-S39 PolarHBondContact O-OG 2.9Å |
| 36 | A | 45.3 | Very low | 44.2 | Very low | 71 Ų | 71 | 68 Ų | 68 | 59% | 0.587 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.4 | -36.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N34 S39 A40 | N34-A36 PolarHBondContact O-N 3.29Å; A36-S39 VanDerWaalsContact C-OG 3.3Å; A36-S39 VanDerWaalsContact CA-OG 3.28Å; A36-S39 WeakPolarHBondContact CA-OG 3.07Å; A36-S39 PolarHBondContact O-OG 2.99Å; A36-A40 WeakPolarHBondContact O-CB 3.41Å; A36-A40 PolarHBondContact O-N 3.09Å; A36-A40 VanDerWaalsContact O-N 3.1Å |
| 37 | C | 38.8 | Very low | 44.5 | Very low | 91 Ų | 91 | 64.2 Ų | 64.2 | 62% | 0.615 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.5 | -39.1 | 178.1 | -170.5 | 0 | 0 | 0 | 0 | 110.3 | N34 A41 | N34-C37 WeakPolarHBondContact O-CB 3.49Å; N34-C37 PolarHBondContact O-N 3.38Å; C37-A41 WeakPolarHBondContact O-CB 3.34Å; C37-A41 PolarHBondContact O-N 3.3Å |
| 38 | L | 44 | Very low | 44.6 | Very low | 31 Ų | 31 | 60.4 Ų | 60.4 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -73 | -35.8 | 178.9 | -143 | 120.6 | 0 | 0 | 0 | 112.4 | V17 L31 N34 S35 M42 | V17-L38 HydrophobicContact CG1-CD1 3.9Å; V17-L38 HydrophobicContact CG1-CD2 3.6Å; V17-L38 HydrophobicContact CG1-CG 3.93Å; V17-L38 HydrophobicContact CG2-CD1 4.34Å; L31-L38 HydrophobicContact CD1-CD1 4.47Å; L31-L38 HydrophobicContact CD2-CD1 3.31Å; L31-L38 HydrophobicContact CD2-CD2 3.56Å; L31-L38 HydrophobicContact CD2-CG 4.03Å; L31-L38 HydrophobicContact CG-CD1 3.53Å; N34-L38 PolarHBondContact O-N 2.94Å; S35-L38 PolarHBondContact O-N 2.63Å; L38-M42 HydrophobicContact CD2-CE 3.86Å; L38-M42 HydrophobicContact CD2-CG 4.33Å; L38-M42 HydrophobicContact CD2-SD 4.17Å; L38-M42 WeakPolarHBondContact O-CB 3.26Å; L38-M42 WeakPolarHBondContact O-CG 3.36Å; L38-M42 PolarHBondContact O-N 3.48Å |
| 39 | S | 48.1 | Very low | 44.9 | Very low | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.042 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 170.7 | 59 | 0 | 0 | 0 | 0 | 112.1 | S35 A36 A41 M42 V43 Y87 | S35-S39 WeakPolarHBondContact O-CB 3.44Å; S35-S39 PolarHBondContact O-N 2.98Å; S35-S39 PolarHBondContact O-OG 2.9Å; A36-S39 VanDerWaalsContact C-OG 3.3Å; A36-S39 VanDerWaalsContact CA-OG 3.28Å; A36-S39 WeakPolarHBondContact CA-OG 3.07Å; A36-S39 PolarHBondContact O-OG 2.99Å; S39-A41 VanDerWaalsContact C-N 3.28Å; S39-A41 PolarHBondContact O-N 2.9Å; S39-M42 PolarHBondContact O-N 2.8Å; S39-V43 VanDerWaalsContact O-CB 3.25Å; S39-V43 WeakPolarHBondContact O-CB 3.34Å; S39-V43 WeakPolarHBondContact O-CG2 3.27Å; S39-V43 PolarHBondContact O-N 2.92Å; S39-Y87 WeakPolarHBondContact CB-OH 3.4Å; S39-Y87 PolarHBondContact OG-OH 3.34Å |
| 40 | A | 44.9 | Very low | 45.1 | Very low | 63 Ų | 63 | 62.4 Ų | 62.4 | 52% | 0.521 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A36 D44 | A36-A40 WeakPolarHBondContact O-CB 3.41Å; A36-A40 PolarHBondContact O-N 3.09Å; A36-A40 VanDerWaalsContact O-N 3.1Å; A40-D44 WeakPolarHBondContact O-CB 3.29Å; A40-D44 PolarHBondContact O-N 3.43Å |
| 41 | A | 45.6 | Very low | 45 | Very low | 24 Ų | 24 | 59.6 Ų | 59.6 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | F13 C37 S39 D44 V45 | F13-A41 HydrophobicContact CD1-CB 3.97Å; F13-A41 HydrophobicContact CE1-CB 3.27Å; F13-A41 HydrophobicContact CZ-CB 3.93Å; C37-A41 WeakPolarHBondContact O-CB 3.34Å; C37-A41 PolarHBondContact O-N 3.3Å; S39-A41 VanDerWaalsContact C-N 3.28Å; S39-A41 PolarHBondContact O-N 2.9Å; A41-D44 PolarHBondContact O-N 2.79Å; A41-V45 WeakPolarHBondContact O-CG2 3.29Å; A41-V45 PolarHBondContact O-N 3.48Å; A41-V45 VanDerWaalsContact O-N 3.08Å |
| 42 | M | 51.8 | Low | 45.1 | Very low | 21 Ų | 21 | 60.7 Ų | 60.7 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 177.6 | -78.2 | -159.9 | 171.4 | 0 | 0 | 112.7 | V17 L38 S39 D44 V45 V46 I80 F83 | V17-M42 HydrophobicContact CB-CE 4.43Å; V17-M42 HydrophobicContact CG1-CE 3.52Å; L38-M42 HydrophobicContact CD2-CE 3.86Å; L38-M42 HydrophobicContact CD2-CG 4.33Å; L38-M42 HydrophobicContact CD2-SD 4.17Å; L38-M42 WeakPolarHBondContact O-CB 3.26Å; L38-M42 WeakPolarHBondContact O-CG 3.36Å; L38-M42 PolarHBondContact O-N 3.48Å; S39-M42 PolarHBondContact O-N 2.8Å; M42-D44 VanDerWaalsContact C-N 3.33Å; M42-V45 PolarHBondContact O-N 3.48Å; M42-V46 VanDerWaalsContact O-CB 3.29Å; M42-V46 WeakPolarHBondContact O-CB 3.48Å; M42-V46 VanDerWaalsContact O-CG2 3.29Å; M42-V46 WeakPolarHBondContact O-CG2 3.2Å; M42-V46 PolarHBondContact O-N 3.14Å; M42-I80 HydrophobicContact CE-CG1 4.48Å; M42-I80 HydrophobicContact SD-CG1 4.36Å; M42-I80 HydrophobicContact SD-CG2 4.28Å; M42-F83 HydrophobicContact CB-CE1 4.36Å; M42-F83 HydrophobicContact SD-CD1 4.28Å; M42-F83 HydrophobicContact SD-CE1 4.33Å |
| 43 | V | 50.2 | Low | 45 | Very low | 27 Ų | 27 | 58.8 Ų | 58.8 | 16% | 0.164 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | S39 V45 V46 T47 V84 Y87 | S39-V43 VanDerWaalsContact O-CB 3.25Å; S39-V43 WeakPolarHBondContact O-CB 3.34Å; S39-V43 WeakPolarHBondContact O-CG2 3.27Å; S39-V43 PolarHBondContact O-N 2.92Å; V43-V45 VanDerWaalsContact C-N 3.3Å; V43-V45 PolarHBondContact O-N 3.03Å; V43-V46 PolarHBondContact O-N 3.05Å; V43-T47 HydrophobicContact CG1-CG2 3.99Å; V43-T47 WeakPolarHBondContact O-CB 3.37Å; V43-T47 VanDerWaalsContact O-CG2 3.24Å; V43-T47 WeakPolarHBondContact O-CG2 3.37Å; V43-T47 PolarHBondContact O-N 3.44Å; V43-T47 PolarHBondContact O-OG1 3.47Å; V43-V84 HydrophobicContact CG2-CG1 4.31Å; V43-V84 HydrophobicContact CG2-CG2 4.31Å; V43-Y87 HydrophobicContact CG2-CD2 3.59Å; V43-Y87 HydrophobicContact CG2-CE2 4.49Å; V43-Y87 HydrophobicContact CG2-CG 3.64Å |
| 44 | D | 43.5 | Very low | 44.9 | Very low | 82 Ų | 82 | 56.4 Ų | 56.4 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 177 | -156.9 | 25.4 | 0 | 0 | 0 | 111 | M10 A40 A41 M42 T47 | M10-D44 HydrophobicContact CE-CB 3.49Å; M10-D44 VanDerWaalsContact CE-CB 3.49Å; M10-D44 WeakPolarHBondContact CE-O 3.47Å; M10-D44 VanDerWaalsContact CE-OD2 3.26Å; M10-D44 WeakPolarHBondContact CE-OD2 3.38Å; A40-D44 WeakPolarHBondContact O-CB 3.29Å; A40-D44 PolarHBondContact O-N 3.43Å; A41-D44 PolarHBondContact O-N 2.79Å; M42-D44 VanDerWaalsContact C-N 3.33Å; D44-T47 PolarHBondContact O-OG1 3.35Å |
| 45 | V | 47.8 | Very low | 44.9 | Very low | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | M10 A14 A41 M42 V43 C51 I55 | M10-V45 HydrophobicContact CB-CG2 3.94Å; M10-V45 HydrophobicContact CE-CB 4.42Å; M10-V45 HydrophobicContact CE-CG2 3.9Å; A14-V45 HydrophobicContact CB-CG1 3.97Å; A14-V45 HydrophobicContact CB-CG2 4.3Å; A41-V45 WeakPolarHBondContact O-CG2 3.29Å; A41-V45 PolarHBondContact O-N 3.48Å; A41-V45 VanDerWaalsContact O-N 3.08Å; M42-V45 PolarHBondContact O-N 3.48Å; V43-V45 VanDerWaalsContact C-N 3.3Å; V43-V45 PolarHBondContact O-N 3.03Å; V45-C51 HydrophobicContact CG1-CB 4.46Å; V45-C51 VanDerWaalsContact O-CB 3.27Å; V45-C51 WeakPolarHBondContact O-CB 3.38Å; V45-I55 HydrophobicContact CG1-CD1 3.1Å |
| 46 | V | 50.2 | Low | 44.8 | Very low | 29 Ų | 29 | 52.1 Ų | 52.1 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -85.6 | -28.6 | -171.8 | 164.5 | 0 | 0 | 0 | 0 | 112.9 | M42 V43 D48 L52 I80 V84 | M42-V46 VanDerWaalsContact O-CB 3.29Å; M42-V46 WeakPolarHBondContact O-CB 3.48Å; M42-V46 VanDerWaalsContact O-CG2 3.29Å; M42-V46 WeakPolarHBondContact O-CG2 3.2Å; M42-V46 PolarHBondContact O-N 3.14Å; V43-V46 PolarHBondContact O-N 3.05Å; V46-D48 PolarHBondContact O-N 3.25Å; V46-L52 HydrophobicContact CB-CD1 4.18Å; V46-L52 HydrophobicContact CG1-CD1 3.54Å; V46-L52 HydrophobicContact CG1-CG 4.42Å; V46-L52 HydrophobicContact CG2-CD1 4.17Å; V46-L52 HydrophobicContact CG2-CG 4.17Å; V46-I80 HydrophobicContact CG2-CG2 4.45Å; V46-V84 HydrophobicContact CB-CB 4.42Å; V46-V84 HydrophobicContact CB-CG1 3.98Å; V46-V84 HydrophobicContact CB-CG2 3.85Å; V46-V84 HydrophobicContact CG1-CB 3.91Å; V46-V84 HydrophobicContact CG1-CG1 3.41Å; V46-V84 VanDerWaalsContact CG1-CG1 3.41Å; V46-V84 HydrophobicContact CG1-CG2 3.85Å; V46-V84 HydrophobicContact CG2-CG2 3.9Å |
| 47 | T | 47.1 | Very low | 44.5 | Very low | 84 Ų | 84 | 53.1 Ų | 53.1 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.7 | -28.6 | 176.4 | 46.9 | 0 | 0 | 0 | 0 | 112 | V43 D44 K49 | V43-T47 HydrophobicContact CG1-CG2 3.99Å; V43-T47 WeakPolarHBondContact O-CB 3.37Å; V43-T47 VanDerWaalsContact O-CG2 3.24Å; V43-T47 WeakPolarHBondContact O-CG2 3.37Å; V43-T47 PolarHBondContact O-N 3.44Å; V43-T47 PolarHBondContact O-OG1 3.47Å; D44-T47 PolarHBondContact O-OG1 3.35Å; T47-K49 PolarHBondContact O-N 3.28Å; T47-K49 VanDerWaalsContact O-N 3.09Å |
| 48 | D | 43 | Very low | 44.4 | Very low | 56 Ų | 56 | 53.5 Ų | 53.5 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -77.5 | 93 | 164.6 | -161.5 | -84.9 | 0 | 0 | 0 | 109.8 | M2 V46 G50 C51 L52 | M2-D48 HydrophobicContact SD-CB 4.44Å; V46-D48 PolarHBondContact O-N 3.25Å; D48-G50 PolarHBondContact O-N 3.25Å; D48-G50 PolarHBondContact OD1-N 2.86Å; D48-C51 HydrophobicContact CB-CB 4.2Å; D48-C51 WeakPolarHBondContact O-CB 3.48Å; D48-C51 PolarHBondContact O-N 2.94Å; D48-C51 PolarHBondContact OD1-N 3.36Å; D48-L52 PolarHBondContact O-N 3.07Å |
| 49 | K | 45.5 | Very low | 44.1 | Very low | 182 Ų | 182 | 57.2 Ų | 57.2 | 79% | 0.791 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -50.6 | -25.5 | 179.1 | -67.2 | -175.9 | 177.4 | -179.8 | 0 | 113.4 | T47 | T47-K49 PolarHBondContact O-N 3.28Å; T47-K49 VanDerWaalsContact O-N 3.09Å |
| 50 | G | 42.4 | Very low | 43.5 | Very low | 31 Ų | 31 | 61.6 Ų | 61.6 | 32% | 0.32 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R7 D48 L52 | R7-G50 PolarHBondContact NH2-O 3.36Å; D48-G50 PolarHBondContact O-N 3.25Å; D48-G50 PolarHBondContact OD1-N 2.86Å; G50-L52 VanDerWaalsContact C-N 3.34Å; G50-L52 PolarHBondContact O-N 3.43Å |
| 51 | C | 38.9 | Very low | 42.9 | Very low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 177.5 | -77 | 0 | 0 | 0 | 0 | 112.6 | R7 V45 D48 S53 D54 I55 | R7-C51 WeakPolarHBondContact CG-SG 3.46Å; V45-C51 HydrophobicContact CG1-CB 4.46Å; V45-C51 VanDerWaalsContact O-CB 3.27Å; V45-C51 WeakPolarHBondContact O-CB 3.38Å; D48-C51 HydrophobicContact CB-CB 4.2Å; D48-C51 WeakPolarHBondContact O-CB 3.48Å; D48-C51 PolarHBondContact O-N 2.94Å; D48-C51 PolarHBondContact OD1-N 3.36Å; C51-S53 VanDerWaalsContact C-N 3.28Å; C51-S53 PolarHBondContact O-N 2.89Å; C51-D54 PolarHBondContact O-N 3.25Å; C51-D54 VanDerWaalsContact O-N 3.09Å; C51-I55 HydrophobicContact CB-CD1 4.18Å; C51-I55 WeakPolarHBondContact O-CD1 3.31Å; C51-I55 VanDerWaalsContact O-CG1 3.27Å; C51-I55 WeakPolarHBondContact O-CG1 3.36Å; C51-I55 PolarHBondContact O-N 3Å |
| 52 | L | 40.5 | Very low | 42.1 | Very low | 49 Ų | 49 | 72.7 Ų | 72.7 | 26% | 0.257 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.8 | -40.7 | -177 | -124.1 | 167.6 | 0 | 0 | 0 | 112.7 | V46 D48 G50 D54 I55 V56 F77 | V46-L52 HydrophobicContact CB-CD1 4.18Å; V46-L52 HydrophobicContact CG1-CD1 3.54Å; V46-L52 HydrophobicContact CG1-CG 4.42Å; V46-L52 HydrophobicContact CG2-CD1 4.17Å; V46-L52 HydrophobicContact CG2-CG 4.17Å; D48-L52 PolarHBondContact O-N 3.07Å; G50-L52 VanDerWaalsContact C-N 3.34Å; G50-L52 PolarHBondContact O-N 3.43Å; L52-D54 VanDerWaalsContact C-N 3.29Å; L52-D54 PolarHBondContact O-N 3.48Å; L52-I55 PolarHBondContact O-N 3.32Å; L52-V56 HydrophobicContact CD2-CG2 4.23Å; L52-V56 PolarHBondContact O-N 3.03Å; L52-F77 HydrophobicContact CD2-CE2 4.24Å |
| 53 | S | 41.9 | Very low | 41.3 | Very low | 81 Ų | 81 | 83.6 Ų | 83.6 | 57% | 0.566 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.5 | -26.7 | 179.7 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | C51 | C51-S53 VanDerWaalsContact C-N 3.28Å; C51-S53 PolarHBondContact O-N 2.89Å |
| 54 | D | 45.6 | Very low | 40.4 | Very low | 91 Ų | 91 | 88.9 Ų | 88.9 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -84 | -28.1 | 176 | -78.6 | -19 | 0 | 0 | 0 | 112.2 | R7 I11 C51 L52 | R7-D54 IonicContact CZ-OD2 3.07Å; R7-D54 IonicContact NH1-OD2 2.98Å; R7-D54 PolarHBondContact NH1-OD2 3.43Å; R7-D54 IonicContact NH2-OD2 2.63Å; R7-D54 PolarHBondContact NH2-OD2 3.38Å; I11-D54 HydrophobicContact CD1-CB 3.9Å; C51-D54 PolarHBondContact O-N 3.25Å; C51-D54 VanDerWaalsContact O-N 3.09Å; L52-D54 VanDerWaalsContact C-N 3.29Å; L52-D54 PolarHBondContact O-N 3.48Å |
| 55 | I | 42.8 | Very low | 39.8 | Very low | 23 Ų | 23 | 92.5 Ų | 92.5 | 12% | 0.118 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -84.4 | -46 | -179 | -64.5 | 160 | 0 | 0 | 0 | 111.2 | I11 A14 I18 V45 C51 L52 P57 | I11-I55 HydrophobicContact CB-CD1 4.45Å; I11-I55 HydrophobicContact CB-CG1 4.03Å; I11-I55 HydrophobicContact CG1-CD1 3.97Å; I11-I55 HydrophobicContact CG1-CG1 3.73Å; I11-I55 HydrophobicContact CG2-CG1 3.83Å; A14-I55 HydrophobicContact CB-CD1 4.01Å; A14-I55 HydrophobicContact CB-CG2 4.28Å; I18-I55 HydrophobicContact CD1-CG2 4.17Å; V45-I55 HydrophobicContact CG1-CD1 3.1Å; C51-I55 HydrophobicContact CB-CD1 4.18Å; C51-I55 WeakPolarHBondContact O-CD1 3.31Å; C51-I55 VanDerWaalsContact O-CG1 3.27Å; C51-I55 WeakPolarHBondContact O-CG1 3.36Å; C51-I55 PolarHBondContact O-N 3Å; L52-I55 PolarHBondContact O-N 3.32Å; I55-P57 WeakPolarHBondContact O-CD 3.36Å |
| 56 | V | 42.2 | Very low | 39.3 | Very low | 48 Ų | 48 | 105 Ų | 105 | 29% | 0.291 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -110.7 | 95 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 106.2 | L52 F77 | L52-V56 HydrophobicContact CD2-CG2 4.23Å; L52-V56 PolarHBondContact O-N 3.03Å; V56-F77 HydrophobicContact CG1-CD2 4.13Å |
| 57 | P | 39.1 | Very low | 38.8 | Very low | 92 Ų | 92 | 106.9 Ų | 106.9 | 60% | 0.597 | 56% | 0.557 | S | S | * | * | trans | -54.3 | 132.6 | 169.2 | 22 | -30.5 | 0 | 0 | 0 | 107.4 | I55 | I55-P57 WeakPolarHBondContact O-CD 3.36Š| ||
| 58 | P | 36.5 | Very low | 38.6 | Very low | 99 Ų | 99 | 113.5 Ų | 113.5 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | trans | -51.5 | 136.6 | 176.6 | 22.2 | -32.1 | 0 | 0 | 0 | 107.1 | S60 | P58-S60 VanDerWaalsContact C-N 3.29Å; P58-S60 PolarHBondContact O-N 3.34Å | ||
| 59 | P | 38.4 | Very low | 38.3 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 71% | 0.714 | 58% | 0.584 | S | S | * | * | trans | -54.1 | 100.8 | -173.9 | 21.7 | -32.5 | 0 | 0 | 0 | 107.3 | L61 | P59-L61 PolarHBondContact O-N 2.82Š| ||
| 60 | S | 34.6 | Very low | 37.9 | Very low | 98 Ų | 98 | 113.2 Ų | 113.2 | 69% | 0.685 | 58% | 0.578 | S | S | * | * | trans | -65.3 | 110.8 | 175.1 | 41.4 | 0 | 0 | 0 | 0 | 102.7 | P58 Q62 | P58-S60 VanDerWaalsContact C-N 3.29Å; P58-S60 PolarHBondContact O-N 3.34Å; S60-Q62 PolarHBondContact O-N 2.85Å | ||
| 61 | L | 32.5 | Very low | 37.8 | Very low | 173 Ų | 173 | 117.6 Ų | 117.6 | 91% | 0.906 | 59% | 0.594 | S | S | * | * | trans | -63.7 | 49.2 | 175.2 | -77.8 | 155.4 | 0 | 0 | 0 | 110.1 | P59 R63 | P59-L61 PolarHBondContact O-N 2.82Å; L61-R63 PolarHBondContact O-N 3.42Å | ||
| 62 | Q | 29.9 | Very low | 38.1 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | trans | -68.6 | 97.3 | 159.2 | -107.4 | -172.6 | -14.6 | 0 | 0 | 106.1 | S60 Q64 | S60-Q62 PolarHBondContact O-N 2.85Å; Q62-Q64 PolarHBondContact O-N 3.16Å | ||
| 63 | R | 35.9 | Very low | 38.1 | Very low | 249 Ų | 249 | 121.5 Ų | 121.5 | 94% | 0.94 | 62% | 0.62 | S | S | * | * | trans | -59.9 | 31.1 | 177 | -155.8 | 178.1 | -171.1 | 166.8 | 2.2 | 113.4 | L61 | L61-R63 PolarHBondContact O-N 3.42Š| ||
| 64 | Q | 30.1 | Very low | 38.4 | Very low | 139 Ų | 139 | 121.3 Ų | 121.3 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | trans | -103.7 | 108.3 | -179 | -92 | 179.4 | -79.1 | 0 | 0 | 111.5 | Q62 | Q62-Q64 PolarHBondContact O-N 3.16Š| ||
| 65 | Q | 31.4 | Very low | 38.6 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 74% | 0.738 | 62% | 0.616 | S | S | * | * | trans | 62.9 | 88.3 | 144.3 | -70.7 | 168.5 | -58.5 | 0 | 0 | 116.7 | S67 | Q65-S67 VanDerWaalsContact C-N 3.33Å; Q65-S67 PolarHBondContact O-N 2.87Å | ||
| 66 | R | 36 | Very low | 38.9 | Very low | 266 Ų | 266 | 123.3 Ų | 123.3 | 100% | 1.004 | 62% | 0.622 | S | S | * | * | 34.6 | 59.4 | 121 | -152.4 | -175.7 | -152.3 | -179.8 | 6.5 | 114.8 | |||||
| 67 | S | 40 | Very low | 39.3 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 48% | 0.483 | 63% | 0.629 | S | S | . | * | trans | -128 | 129.3 | 163.9 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | Q65 N69 L70 | Q65-S67 VanDerWaalsContact C-N 3.33Å; Q65-S67 PolarHBondContact O-N 2.87Å; S67-N69 PolarHBondContact O-N 2.95Å; S67-L70 PolarHBondContact O-N 3.36Å | ||
| 68 | R | 43.6 | Very low | 39.9 | Very low | 223 Ų | 223 | 126.4 Ų | 126.4 | 84% | 0.842 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.1 | -19.5 | -176.4 | -78.4 | 171.5 | 156.4 | 164.9 | -8.7 | 114.2 | L70 L71 | R68-L70 PolarHBondContact O-N 2.85Å; R68-L71 PolarHBondContact O-N 3.49Å |
| 69 | N | 37.2 | Very low | 40.5 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 56% | 0.556 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.4 | -26.4 | -178 | -56.3 | 1.4 | 0 | 0 | 0 | 114.1 | S67 E72 G73 | S67-N69 PolarHBondContact O-N 2.95Å; N69-E72 PolarHBondContact O-N 2.85Å; N69-G73 PolarHBondContact O-N 3.21Å |
| 70 | L | 35.9 | Very low | 41.2 | Very low | 127 Ų | 127 | 124 Ų | 124 | 67% | 0.665 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.2 | -33.3 | -179.9 | -154.5 | 139.9 | 0 | 0 | 0 | 111.8 | S67 R68 E72 G73 V74 | S67-L70 PolarHBondContact O-N 3.36Å; R68-L70 PolarHBondContact O-N 2.85Å; L70-E72 VanDerWaalsContact C-N 3.32Å; L70-G73 PolarHBondContact O-N 2.94Å; L70-V74 HydrophobicContact CD2-CG2 4.45Å; L70-V74 WeakPolarHBondContact O-CG2 3.5Å; L70-V74 PolarHBondContact O-N 2.87Å; L70-V74 VanDerWaalsContact O-N 3.16Å |
| 71 | L | 41.8 | Very low | 41.9 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.4 | -37.7 | 174.2 | -146.6 | 83.8 | 0 | 0 | 0 | 110.6 | R68 V74 H75 | R68-L71 PolarHBondContact O-N 3.49Å; L71-V74 PolarHBondContact O-N 3.27Å; L71-H75 WeakPolarHBondContact O-CB 3.26Å; L71-H75 PolarHBondContact O-CD2 3.15Å; L71-H75 VanDerWaalsContact O-CD2 3.3Å; L71-H75 PolarHBondContact O-N 2.88Å |
| 72 | E | 43.3 | Very low | 42.7 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 46% | 0.463 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.8 | -41.6 | 174.6 | -69.3 | 178.5 | 167.3 | 0 | 0 | 111.8 | N69 L70 V74 H75 L76 | N69-E72 PolarHBondContact O-N 2.85Å; L70-E72 VanDerWaalsContact C-N 3.32Å; E72-V74 PolarHBondContact O-N 2.81Å; E72-H75 PolarHBondContact O-N 3.29Å; E72-L76 VanDerWaalsContact O-CB 3.31Å; E72-L76 WeakPolarHBondContact O-CB 3.32Å; E72-L76 PolarHBondContact O-N 3.48Å |
| 73 | G | 42 | Very low | 43.5 | Very low | 32 Ų | 32 | 114.9 Ų | 114.9 | 33% | 0.33 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N69 L70 L76 F77 | N69-G73 PolarHBondContact O-N 3.21Å; L70-G73 PolarHBondContact O-N 2.94Å; G73-L76 PolarHBondContact O-N 3.28Å; G73-F77 PolarHBondContact O-N 3.01Å |
| 74 | V | 48.3 | Very low | 43.9 | Very low | 77 Ų | 77 | 103.2 Ų | 103.2 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 175.6 | 176.8 | 0 | 0 | 0 | 0 | 111 | L70 L71 E72 L76 F77 E78 | L70-V74 HydrophobicContact CD2-CG2 4.45Å; L70-V74 WeakPolarHBondContact O-CG2 3.5Å; L70-V74 PolarHBondContact O-N 2.87Å; L70-V74 VanDerWaalsContact O-N 3.16Å; L71-V74 PolarHBondContact O-N 3.27Å; E72-V74 PolarHBondContact O-N 2.81Å; V74-L76 VanDerWaalsContact C-N 3.29Å; V74-L76 PolarHBondContact O-N 3.08Å; V74-F77 PolarHBondContact O-N 3.48Å; V74-E78 PolarHBondContact O-N 3.37Å |
| 75 | H | 49.5 | Very low | 44.6 | Very low | 109 Ų | 109 | 98.6 Ų | 98.6 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 175.8 | -89.8 | -63.6 | 0 | 0 | 0 | 112.5 | L71 E72 E78 M79 | L71-H75 WeakPolarHBondContact O-CB 3.26Å; L71-H75 PolarHBondContact O-CD2 3.15Å; L71-H75 VanDerWaalsContact O-CD2 3.3Å; L71-H75 PolarHBondContact O-N 2.88Å; E72-H75 PolarHBondContact O-N 3.29Å; H75-E78 PolarHBondContact O-N 3.1Å; H75-M79 VanDerWaalsContact O-CB 3.23Å; H75-M79 WeakPolarHBondContact O-CB 3.41Å; H75-M79 PolarHBondContact O-N 3.28Å |
| 76 | L | 49 | Very low | 45.3 | Very low | 46 Ų | 46 | 100.8 Ų | 100.8 | 24% | 0.241 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 175.5 | -168.1 | 98.6 | 0 | 0 | 0 | 110.9 | I18 Y22 E72 G73 V74 E78 M79 I80 | I18-L76 HydrophobicContact CG2-CD2 4Å; Y22-L76 HydrophobicContact CE2-CD1 4.01Å; Y22-L76 HydrophobicContact CE2-CD2 4.05Å; E72-L76 VanDerWaalsContact O-CB 3.31Å; E72-L76 WeakPolarHBondContact O-CB 3.32Å; E72-L76 PolarHBondContact O-N 3.48Å; G73-L76 PolarHBondContact O-N 3.28Å; V74-L76 VanDerWaalsContact C-N 3.29Å; V74-L76 PolarHBondContact O-N 3.08Å; L76-E78 VanDerWaalsContact C-N 3.35Å; L76-E78 PolarHBondContact O-N 2.81Å; L76-M79 PolarHBondContact O-N 2.93Å; L76-I80 HydrophobicContact CD2-CD1 3.81Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 HydrophobicContact CG-CG1 4.47Å; L76-I80 WeakPolarHBondContact O-CB 3.39Å; L76-I80 VanDerWaalsContact O-CG1 3.28Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 3.43Å |
| 77 | F | 50.7 | Low | 45.4 | Very low | 102 Ų | 102 | 93.3 Ų | 93.3 | 45% | 0.447 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 175.4 | -177.3 | -95.1 | 0 | 0 | 0 | 111.3 | L52 V56 G73 V74 M79 I80 S81 | L52-F77 HydrophobicContact CD2-CE2 4.24Å; V56-F77 HydrophobicContact CG1-CD2 4.13Å; G73-F77 PolarHBondContact O-N 3.01Å; V74-F77 PolarHBondContact O-N 3.48Å; F77-M79 VanDerWaalsContact C-N 3.34Å; F77-M79 PolarHBondContact O-N 3.08Å; F77-I80 PolarHBondContact O-N 3.04Å; F77-S81 WeakPolarHBondContact O-CB 3.4Å; F77-S81 PolarHBondContact O-N 3.05Å |
| 78 | E | 50.9 | Low | 45 | Very low | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 173.3 | -83 | -169.2 | 144.9 | 0 | 0 | 112.3 | V74 H75 L76 S81 N82 | V74-E78 PolarHBondContact O-N 3.37Å; H75-E78 PolarHBondContact O-N 3.1Å; L76-E78 VanDerWaalsContact C-N 3.35Å; L76-E78 PolarHBondContact O-N 2.81Å; E78-S81 PolarHBondContact O-N 3.36Å; E78-N82 WeakPolarHBondContact O-CB 3.28Å; E78-N82 PolarHBondContact O-N 3.23Å; E78-N82 PolarHBondContact O-ND2 3.15Å |
| 79 | M | 50.4 | Low | 44.5 | Very low | 131 Ų | 131 | 94.4 Ų | 94.4 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.2 | -46 | 179.4 | -171.4 | 179.3 | -70.3 | 0 | 0 | 110.9 | H75 L76 F77 F83 | H75-M79 VanDerWaalsContact O-CB 3.23Å; H75-M79 WeakPolarHBondContact O-CB 3.41Å; H75-M79 PolarHBondContact O-N 3.28Å; L76-M79 PolarHBondContact O-N 2.93Å; F77-M79 VanDerWaalsContact C-N 3.34Å; F77-M79 PolarHBondContact O-N 3.08Å; M79-F83 WeakPolarHBondContact O-CB 3.36Å; M79-F83 PolarHBondContact O-N 3.33Å |
| 80 | I | 52.4 | Low | 44.9 | Very low | 28 Ų | 28 | 94 Ų | 94 | 14% | 0.144 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 175.9 | -64.9 | 168 | 0 | 0 | 0 | 110 | I18 M42 V46 L76 F77 F83 V84 | I18-I80 HydrophobicContact CD1-CD1 4.4Å; I18-I80 HydrophobicContact CG1-CD1 4.37Å; M42-I80 HydrophobicContact CE-CG1 4.48Å; M42-I80 HydrophobicContact SD-CG1 4.36Å; M42-I80 HydrophobicContact SD-CG2 4.28Å; V46-I80 HydrophobicContact CG2-CG2 4.45Å; L76-I80 HydrophobicContact CD2-CD1 3.81Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 HydrophobicContact CG-CG1 4.47Å; L76-I80 WeakPolarHBondContact O-CB 3.39Å; L76-I80 VanDerWaalsContact O-CG1 3.28Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 3.43Å; F77-I80 PolarHBondContact O-N 3.04Å; I80-F83 WeakPolarHBondContact O-CB 3.25Å; I80-F83 PolarHBondContact O-N 2.87Å; I80-V84 WeakPolarHBondContact O-CG2 3.1Å; I80-V84 PolarHBondContact O-N 2.84Å |
| 81 | S | 48.6 | Very low | 45.4 | Very low | 65 Ų | 65 | 92.2 Ų | 92.2 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 179.8 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | F77 E78 F83 G85 | F77-S81 WeakPolarHBondContact O-CB 3.4Å; F77-S81 PolarHBondContact O-N 3.05Å; E78-S81 PolarHBondContact O-N 3.36Å; S81-F83 VanDerWaalsContact C-N 3.35Å; S81-G85 PolarHBondContact O-N 3.09Å |
| 82 | N | 50.1 | Low | 45.6 | Very low | 105 Ų | 105 | 90.4 Ų | 90.4 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.7 | -39.4 | 174.7 | -85 | -49 | 0 | 0 | 0 | 111.4 | E78 R86 | E78-N82 WeakPolarHBondContact O-CB 3.28Å; E78-N82 PolarHBondContact O-N 3.23Å; E78-N82 PolarHBondContact O-ND2 3.15Å; N82-R86 WeakPolarHBondContact O-CG 3.24Å; N82-R86 PolarHBondContact O-N 2.82Å; N82-R86 VanDerWaalsContact O-N 3.15Å |
| 83 | F | 47.1 | Very low | 45.7 | Very low | 57 Ų | 57 | 89.9 Ų | 89.9 | 25% | 0.25 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.5 | -50 | 176.4 | -176.4 | -119.1 | 0 | 0 | 0 | 110.5 | M42 M79 I80 S81 R86 Y87 | M42-F83 HydrophobicContact CB-CE1 4.36Å; M42-F83 HydrophobicContact SD-CD1 4.28Å; M42-F83 HydrophobicContact SD-CE1 4.33Å; M79-F83 WeakPolarHBondContact O-CB 3.36Å; M79-F83 PolarHBondContact O-N 3.33Å; I80-F83 WeakPolarHBondContact O-CB 3.25Å; I80-F83 PolarHBondContact O-N 2.87Å; S81-F83 VanDerWaalsContact C-N 3.35Å; F83-R86 WeakPolarHBondContact O-CB 3.09Å; F83-R86 PolarHBondContact O-N 3.43Å; F83-Y87 HydrophobicContact CD1-CE2 4.46Å; F83-Y87 AromaticContact CD2-CE2 3.98Å; F83-Y87 HydrophobicContact CD2-CE2 3.98Å; F83-Y87 HydrophobicContact CE1-CE2 4.37Å; F83-Y87 AromaticContact CE2-CE2 3.81Å; F83-Y87 HydrophobicContact CE2-CE2 3.81Å; F83-Y87 HydrophobicContact CG-CE2 4.33Å; F83-Y87 HydrophobicContact CZ-CE2 4.07Å; F83-Y87 WeakPolarHBondContact O-CD2 3.49Å |
| 84 | V | 44.4 | Very low | 45.9 | Very low | 3 Ų | 3 | 93.6 Ų | 93.6 | 2% | 0.018 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 178.4 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | V43 V46 I80 R86 Y87 I88 | V43-V84 HydrophobicContact CG2-CG1 4.31Å; V43-V84 HydrophobicContact CG2-CG2 4.31Å; V46-V84 HydrophobicContact CB-CB 4.42Å; V46-V84 HydrophobicContact CB-CG1 3.98Å; V46-V84 HydrophobicContact CB-CG2 3.85Å; V46-V84 HydrophobicContact CG1-CB 3.91Å; V46-V84 HydrophobicContact CG1-CG1 3.41Å; V46-V84 VanDerWaalsContact CG1-CG1 3.41Å; V46-V84 HydrophobicContact CG1-CG2 3.85Å; V46-V84 HydrophobicContact CG2-CG2 3.9Å; I80-V84 WeakPolarHBondContact O-CG2 3.1Å; I80-V84 PolarHBondContact O-N 2.84Å; V84-R86 PolarHBondContact O-N 3.36Å; V84-R86 VanDerWaalsContact O-N 3.14Å; V84-Y87 WeakPolarHBondContact O-CA 3.07Å; V84-Y87 PolarHBondContact O-N 3.49Å; V84-I88 HydrophobicContact CG1-CD1 4.21Å; V84-I88 HydrophobicContact CG1-CG1 4.4Å; V84-I88 PolarHBondContact O-N 3.14Å |
| 85 | G | 45.1 | Very low | 45.8 | Very low | 42 Ų | 42 | 94.7 Ų | 94.7 | 43% | 0.433 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.2 | -28.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S81 Y87 I88 | S81-G85 PolarHBondContact O-N 3.09Å; G85-Y87 VanDerWaalsContact C-N 3.29Å; G85-Y87 PolarHBondContact O-N 2.85Å; G85-I88 PolarHBondContact O-N 3.3Å |
| 86 | R | 44.7 | Very low | 45.5 | Very low | 204 Ų | 204 | 93.6 Ų | 93.6 | 77% | 0.77 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -18 | 173 | -74.7 | 178.1 | 178.3 | -164.4 | 0.2 | 114.3 | N82 F83 V84 | N82-R86 WeakPolarHBondContact O-CG 3.24Å; N82-R86 PolarHBondContact O-N 2.82Å; N82-R86 VanDerWaalsContact O-N 3.15Å; F83-R86 WeakPolarHBondContact O-CB 3.09Å; F83-R86 PolarHBondContact O-N 3.43Å; V84-R86 PolarHBondContact O-N 3.36Å; V84-R86 VanDerWaalsContact O-N 3.14Å |
| 87 | Y | 39.1 | Very low | 45.2 | Very low | 109 Ų | 109 | 97.3 Ų | 97.3 | 43% | 0.427 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -3.2 | 176.9 | -67.7 | -82.4 | 0 | 0 | 0 | 113.5 | S39 V43 F83 V84 G85 V89 | S39-Y87 WeakPolarHBondContact CB-OH 3.4Å; S39-Y87 PolarHBondContact OG-OH 3.34Å; V43-Y87 HydrophobicContact CG2-CD2 3.59Å; V43-Y87 HydrophobicContact CG2-CE2 4.49Å; V43-Y87 HydrophobicContact CG2-CG 3.64Å; F83-Y87 HydrophobicContact CD1-CE2 4.46Å; F83-Y87 AromaticContact CD2-CE2 3.98Å; F83-Y87 HydrophobicContact CD2-CE2 3.98Å; F83-Y87 HydrophobicContact CE1-CE2 4.37Å; F83-Y87 AromaticContact CE2-CE2 3.81Å; F83-Y87 HydrophobicContact CE2-CE2 3.81Å; F83-Y87 HydrophobicContact CG-CE2 4.33Å; F83-Y87 HydrophobicContact CZ-CE2 4.07Å; F83-Y87 WeakPolarHBondContact O-CD2 3.49Å; V84-Y87 WeakPolarHBondContact O-CA 3.07Å; V84-Y87 PolarHBondContact O-N 3.49Å; G85-Y87 VanDerWaalsContact C-N 3.29Å; G85-Y87 PolarHBondContact O-N 2.85Å; Y87-V89 PolarHBondContact O-N 3.47Å |
| 88 | I | 31.1 | Very low | 44.8 | Very low | 125 Ų | 125 | 96.9 Ų | 96.9 | 64% | 0.641 | 50% | 0.499 | S | S | * | . | trans | -89.1 | 36.2 | 173.4 | -49.9 | 173.3 | 0 | 0 | 0 | 110.4 | V84 G85 | V84-I88 HydrophobicContact CG1-CD1 4.21Å; V84-I88 HydrophobicContact CG1-CG1 4.4Å; V84-I88 PolarHBondContact O-N 3.14Å; G85-I88 PolarHBondContact O-N 3.3Å | ||
| 89 | V | 33.6 | Very low | 44.2 | Very low | 191 Ų | 191 | 96.4 Ų | 96.4 | 100% | 1.158 | 50% | 0.5 | S | S | * | . | trans | -115.8 | 0 | 168 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | Y87 | Y87-V89 PolarHBondContact O-N 3.47Š|
Retrieved 89 of 89 residues in 103.8 ms
(Link to these results)