| 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 | 49.5 | Very low | 69.9 | Low | 184 Ų | 184 | 66.6 Ų | 66.6 | 91% | 0.906 | 43% | 0.431 | S | S | * | . | 0 | 148.5 | 0 | -68.5 | 171.2 | -75.8 | 0 | 0 | 106.6 | |||||
| 2 | A | 49.1 | Very low | 71.5 | Confident | 79 Ų | 79 | 73.2 Ų | 73.2 | 65% | 0.653 | 44% | 0.442 | S | S | * | . | trans | -102.4 | 106.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | V | 56.2 | Low | 72.8 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.012 | 44% | 0.443 | C | S | . | . | trans | -48.2 | 145.7 | 171.7 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | T7 K8 | V3-T7 HydrophobicContact CG1-CG2 4.42Å; V3-T7 WeakPolarHBondContact CG1-OG1 3Å; V3-K8 HydrophobicContact CB-CG 4.45Å; V3-K8 WeakPolarHBondContact O-CE 3.2Å; V3-K8 WeakPolarHBondContact O-CG 3.39Å; V3-K8 PolarHBondContact O-NZ 2.87Å | ||
| 4 | A | 61.1 | Low | 74 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 58% | 0.579 | 41% | 0.413 | S | S | * | . | trans | -72.4 | 160.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C6 T7 K8 | A4-C6 PolarHBondContact O-N 2.83Å; A4-C6 VanDerWaalsContact O-N 3.07Å; A4-T7 PolarHBondContact O-N 3.12Å; A4-T7 PolarHBondContact O-OG1 2.95Å; A4-K8 PolarHBondContact O-N 3.06Å; A4-K8 VanDerWaalsContact O-N 3.12Å | ||
| 5 | G | 64.9 | Low | 75.3 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 65% | 0.649 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -42.8 | -48.3 | -159.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | K8 C9 | G5-K8 PolarHBondContact O-N 3.42Å; G5-C9 PolarHBondContact O-N 3.46Å |
| 6 | C | 71.5 | Confident | 76.4 | Confident | 100 Ų | 100 | 72.1 Ų | 72.1 | 68% | 0.676 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.5 | -41.4 | -177.9 | -170.5 | 0 | 0 | 0 | 0 | 112.6 | A4 K8 C9 I10 | A4-C6 PolarHBondContact O-N 2.83Å; A4-C6 VanDerWaalsContact O-N 3.07Å; C6-K8 VanDerWaalsContact C-N 3.31Å; C6-K8 PolarHBondContact O-N 3.29Å; C6-C9 WeakPolarHBondContact O-CB 3.15Å; C6-C9 PolarHBondContact O-N 3.29Å; C6-I10 PolarHBondContact O-N 3.45Å |
| 7 | T | 76.9 | Confident | 77.2 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 18% | 0.178 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -76 | -19.1 | 179.5 | 34.1 | 0 | 0 | 0 | 0 | 112.4 | V3 A4 K11 V225 | V3-T7 HydrophobicContact CG1-CG2 4.42Å; V3-T7 WeakPolarHBondContact CG1-OG1 3Å; A4-T7 PolarHBondContact O-N 3.12Å; A4-T7 PolarHBondContact O-OG1 2.95Å; T7-K11 WeakPolarHBondContact O-CB 3.32Å; T7-K11 PolarHBondContact O-N 3.28Å; T7-V225 HydrophobicContact CG2-CG1 4.25Å |
| 8 | K | 80.7 | Confident | 78 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 34% | 0.335 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 163.4 | -72.4 | -137.3 | 175.9 | 77.1 | 0 | 112.6 | V3 A4 G5 C6 I10 K11 Y12 | V3-K8 HydrophobicContact CB-CG 4.45Å; V3-K8 WeakPolarHBondContact O-CE 3.2Å; V3-K8 WeakPolarHBondContact O-CG 3.39Å; V3-K8 PolarHBondContact O-NZ 2.87Å; A4-K8 PolarHBondContact O-N 3.06Å; A4-K8 VanDerWaalsContact O-N 3.12Å; G5-K8 PolarHBondContact O-N 3.42Å; C6-K8 VanDerWaalsContact C-N 3.31Å; C6-K8 PolarHBondContact O-N 3.29Å; K8-I10 VanDerWaalsContact C-N 3.32Å; K8-I10 PolarHBondContact O-N 3.07Å; K8-K11 WeakPolarHBondContact O-CB 2.87Å; K8-K11 PolarHBondContact O-N 3.01Å; K8-Y12 WeakPolarHBondContact O-CD2 3.44Å; K8-Y12 PolarHBondContact O-N 3.27Å; K8-Y12 VanDerWaalsContact O-N 3.07Å |
| 9 | C | 85 | Confident | 78.9 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 47% | 0.473 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 178.4 | -172.9 | 0 | 0 | 0 | 0 | 110.5 | G5 C6 K11 Y12 M13 | G5-C9 PolarHBondContact O-N 3.46Å; C6-C9 WeakPolarHBondContact O-CB 3.15Å; C6-C9 PolarHBondContact O-N 3.29Å; C9-K11 PolarHBondContact O-N 3.18Å; C9-Y12 PolarHBondContact O-N 3.48Å; C9-M13 PolarHBondContact O-N 2.92Å |
| 10 | I | 86.2 | Confident | 79.6 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 176.5 | -61.6 | 173.2 | 0 | 0 | 0 | 111.3 | C6 K8 Y12 M13 L14 F222 V225 | C6-I10 PolarHBondContact O-N 3.45Å; K8-I10 VanDerWaalsContact C-N 3.32Å; K8-I10 PolarHBondContact O-N 3.07Å; I10-Y12 PolarHBondContact O-N 3.38Å; I10-M13 PolarHBondContact O-N 2.88Å; I10-L14 HydrophobicContact CG2-CD1 4.16Å; I10-L14 WeakPolarHBondContact O-CB 3.33Å; I10-L14 PolarHBondContact O-N 3.46Å; I10-F222 HydrophobicContact CG2-CB 3.83Å; I10-F222 HydrophobicContact CG2-CD1 4.24Å; I10-F222 HydrophobicContact CG2-CG 4.11Å; I10-V225 HydrophobicContact CD1-CG1 3.63Å |
| 11 | K | 87.6 | Confident | 80.2 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 13% | 0.13 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.4 | -50.2 | 175.7 | 173.3 | 178.4 | 176.1 | 163.5 | 0 | 112 | T7 K8 C9 F15 A83 I84 E86 L226 | T7-K11 WeakPolarHBondContact O-CB 3.32Å; T7-K11 PolarHBondContact O-N 3.28Å; K8-K11 WeakPolarHBondContact O-CB 2.87Å; K8-K11 PolarHBondContact O-N 3.01Å; C9-K11 PolarHBondContact O-N 3.18Å; K11-F15 WeakPolarHBondContact O-CB 3.44Å; K11-F15 PolarHBondContact O-N 3.49Å; K11-A83 WeakPolarHBondContact CE-O 3.19Å; K11-I84 PolarHBondContact NZ-O 3.07Å; K11-I84 VanDerWaalsContact NZ-O 3.12Å; K11-E86 IonicContact NZ-OE1 2.73Å; K11-E86 PolarHBondContact NZ-OE1 3.17Å; K11-L226 HydrophobicContact CB-CD1 4.12Å; K11-L226 HydrophobicContact CB-CD2 4.4Å |
| 12 | Y | 89.4 | Confident | 82.4 | Confident | 145 Ų | 145 | 65.6 Ų | 65.6 | 57% | 0.569 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -72 | -34.7 | -178.4 | -73.6 | -68 | 0 | 0 | 0 | 112.8 | K8 C9 I10 F16 | K8-Y12 WeakPolarHBondContact O-CD2 3.44Å; K8-Y12 PolarHBondContact O-N 3.27Å; K8-Y12 VanDerWaalsContact O-N 3.07Å; C9-Y12 PolarHBondContact O-N 3.48Å; I10-Y12 PolarHBondContact O-N 3.38Å; Y12-F16 VanDerWaalsContact O-CB 3.3Å; Y12-F16 WeakPolarHBondContact O-CB 3.2Å; Y12-F16 PolarHBondContact O-N 2.88Å |
| 13 | M | 88.6 | Confident | 84.6 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.4 | -49.7 | 171.7 | -80.6 | -151.5 | 175.3 | 0 | 0 | 111.6 | C9 I10 F15 F16 F17 | C9-M13 PolarHBondContact O-N 2.92Å; I10-M13 PolarHBondContact O-N 2.88Å; M13-F15 VanDerWaalsContact C-N 3.32Å; M13-F15 PolarHBondContact O-N 3.44Å; M13-F16 PolarHBondContact O-N 3.29Å; M13-F17 HydrophobicContact CB-CD2 4.35Å; M13-F17 HydrophobicContact CB-CE2 4.26Å; M13-F17 HydrophobicContact CG-CE2 4.49Å; M13-F17 WeakPolarHBondContact O-CD2 3.43Å; M13-F17 PolarHBondContact O-N 2.88Å; M13-F17 HydrophobicContact SD-CE2 4.22Å |
| 14 | L | 89.6 | Confident | 86.3 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.2 | -46.7 | 177.1 | -88.1 | 174.1 | 0 | 0 | 0 | 111.6 | I10 N18 A83 F222 L226 | I10-L14 HydrophobicContact CG2-CD1 4.16Å; I10-L14 WeakPolarHBondContact O-CB 3.33Å; I10-L14 PolarHBondContact O-N 3.46Å; L14-N18 VanDerWaalsContact O-CB 3.26Å; L14-N18 WeakPolarHBondContact O-CB 3.4Å; L14-N18 PolarHBondContact O-N 3.02Å; L14-N18 PolarHBondContact O-ND2 3.02Å; L14-A83 HydrophobicContact CB-CB 4.4Å; L14-F222 HydrophobicContact CD1-CB 3.79Å; L14-F222 HydrophobicContact CD2-CB 3.81Å; L14-F222 HydrophobicContact CD2-CD2 4.45Å; L14-F222 HydrophobicContact CG-CB 3.76Å; L14-L226 HydrophobicContact CD1-CB 4.3Å; L14-L226 HydrophobicContact CD1-CD2 3.82Å |
| 15 | F | 92.8 | Very high | 87.8 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 25% | 0.254 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.8 | -49.7 | 176.4 | 173.1 | -104.9 | 0 | 0 | 0 | 111.4 | K11 M13 F19 C80 A83 I84 | K11-F15 WeakPolarHBondContact O-CB 3.44Å; K11-F15 PolarHBondContact O-N 3.49Å; M13-F15 VanDerWaalsContact C-N 3.32Å; M13-F15 PolarHBondContact O-N 3.44Å; F15-F19 HydrophobicContact CE2-CB 4.45Å; F15-F19 HydrophobicContact CE2-CD2 4.27Å; F15-F19 HydrophobicContact CZ-CB 4.38Å; F15-F19 HydrophobicContact CZ-CD2 4.1Å; F15-F19 HydrophobicContact CZ-CG 4.26Å; F15-F19 WeakPolarHBondContact O-CB 3.42Å; F15-F19 PolarHBondContact O-N 3.43Å; F15-C80 HydrophobicContact CD2-CB 3.89Å; F15-C80 HydrophobicContact CE2-CB 3.98Å; F15-A83 HydrophobicContact CB-CB 4.46Å; F15-I84 HydrophobicContact CD2-CD1 3.4Å; F15-I84 HydrophobicContact CD2-CG1 3.64Å; F15-I84 HydrophobicContact CE1-CD1 4.44Å; F15-I84 HydrophobicContact CE2-CD1 3.17Å; F15-I84 HydrophobicContact CE2-CG1 3.98Å; F15-I84 HydrophobicContact CG-CD1 4.16Å; F15-I84 HydrophobicContact CG-CG1 4.19Å; F15-I84 HydrophobicContact CZ-CD1 3.75Å |
| 16 | F | 92.4 | Very high | 89.1 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -49.4 | -177.3 | 179 | -102.5 | 0 | 0 | 0 | 112.6 | Y12 M13 F19 I20 | Y12-F16 VanDerWaalsContact O-CB 3.3Å; Y12-F16 WeakPolarHBondContact O-CB 3.2Å; Y12-F16 PolarHBondContact O-N 2.88Å; M13-F16 PolarHBondContact O-N 3.29Å; F16-F19 PolarHBondContact O-N 3.43Å; F16-I20 HydrophobicContact CD1-CD1 3.97Å; F16-I20 HydrophobicContact CE1-CD1 3.46Å; F16-I20 VanDerWaalsContact CE1-CD1 3.46Å; F16-I20 HydrophobicContact CE2-CD1 4.13Å; F16-I20 HydrophobicContact CZ-CD1 3.56Å; F16-I20 WeakPolarHBondContact O-CG1 3.23Å; F16-I20 PolarHBondContact O-N 2.86Å; F16-I20 VanDerWaalsContact O-N 3.14Å |
| 17 | F | 90 | Very high | 90 | Very high | 97 Ų | 97 | 62.8 Ų | 62.8 | 43% | 0.425 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 179.5 | -72.7 | -62.6 | 0 | 0 | 0 | 111.8 | M13 F19 I20 F21 | M13-F17 HydrophobicContact CB-CD2 4.35Å; M13-F17 HydrophobicContact CB-CE2 4.26Å; M13-F17 HydrophobicContact CG-CE2 4.49Å; M13-F17 WeakPolarHBondContact O-CD2 3.43Å; M13-F17 PolarHBondContact O-N 2.88Å; M13-F17 HydrophobicContact SD-CE2 4.22Å; F17-F19 PolarHBondContact O-N 3.31Å; F17-I20 PolarHBondContact O-N 2.87Å; F17-F21 WeakPolarHBondContact O-CD2 3.47Å; F17-F21 PolarHBondContact O-N 2.82Å; F17-F21 VanDerWaalsContact O-N 3.09Å |
| 18 | N | 93.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.011 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -29.7 | 178.2 | -79.5 | -88.6 | 0 | 0 | 0 | 112.3 | L14 F21 W22 C80 F94 | L14-N18 VanDerWaalsContact O-CB 3.26Å; L14-N18 WeakPolarHBondContact O-CB 3.4Å; L14-N18 PolarHBondContact O-N 3.02Å; L14-N18 PolarHBondContact O-ND2 3.02Å; N18-F21 PolarHBondContact O-N 3.47Å; N18-W22 VanDerWaalsContact O-CB 3.32Å; N18-W22 WeakPolarHBondContact O-CB 3.26Å; N18-W22 PolarHBondContact O-N 3.4Å; N18-C80 VanDerWaalsContact CB-SG 3.51Å; N18-F94 WeakPolarHBondContact OD1-CE2 3.35Å; N18-F94 WeakPolarHBondContact OD1-CZ 3.45Å |
| 19 | F | 94.3 | Very high | 90.8 | Very high | 77 Ų | 77 | 61.8 Ų | 61.8 | 34% | 0.338 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.6 | -37.9 | 179.6 | -174.6 | -104 | 0 | 0 | 0 | 111 | F15 F16 F17 W22 L23 C80 | F15-F19 HydrophobicContact CE2-CB 4.45Å; F15-F19 HydrophobicContact CE2-CD2 4.27Å; F15-F19 HydrophobicContact CZ-CB 4.38Å; F15-F19 HydrophobicContact CZ-CD2 4.1Å; F15-F19 HydrophobicContact CZ-CG 4.26Å; F15-F19 WeakPolarHBondContact O-CB 3.42Å; F15-F19 PolarHBondContact O-N 3.43Å; F16-F19 PolarHBondContact O-N 3.43Å; F17-F19 PolarHBondContact O-N 3.31Å; F19-W22 AromaticContact CD2-CE3 3.8Å; F19-W22 HydrophobicContact CD2-CE3 3.8Å; F19-W22 HydrophobicContact CD2-CZ3 4.26Å; F19-W22 AromaticContact CE2-CE3 3.54Å; F19-W22 HydrophobicContact CE2-CE3 3.54Å; F19-W22 AromaticContact CE2-CZ3 3.53Å; F19-W22 HydrophobicContact CE2-CZ3 3.53Å; F19-W22 HydrophobicContact CZ-CE3 4.26Å; F19-W22 HydrophobicContact CZ-CZ3 4.08Å; F19-W22 WeakPolarHBondContact O-CB 3.29Å; F19-W22 PolarHBondContact O-N 3.49Å; F19-L23 HydrophobicContact CD1-CD1 4.07Å; F19-L23 HydrophobicContact CE1-CD1 3.61Å; F19-L23 HydrophobicContact CE1-CG 4.19Å; F19-L23 HydrophobicContact CZ-CD1 4.14Å; F19-L23 HydrophobicContact CZ-CD2 4.46Å; F19-L23 HydrophobicContact CZ-CG 4.34Å; F19-L23 WeakPolarHBondContact O-CG 3.28Å; F19-L23 PolarHBondContact O-N 3.19Å; F19-C80 WeakPolarHBondContact CA-SG 3.27Å; F19-C80 PolarHBondContact N-SG 3.49Å |
| 20 | I | 93.6 | Very high | 90.9 | Very high | 81 Ų | 81 | 60.4 Ų | 60.4 | 42% | 0.415 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 171.4 | -66.1 | 167.5 | 0 | 0 | 0 | 110.2 | F16 F17 W22 L23 A24 | F16-I20 HydrophobicContact CD1-CD1 3.97Å; F16-I20 HydrophobicContact CE1-CD1 3.46Å; F16-I20 VanDerWaalsContact CE1-CD1 3.46Å; F16-I20 HydrophobicContact CE2-CD1 4.13Å; F16-I20 HydrophobicContact CZ-CD1 3.56Å; F16-I20 WeakPolarHBondContact O-CG1 3.23Å; F16-I20 PolarHBondContact O-N 2.86Å; F16-I20 VanDerWaalsContact O-N 3.14Å; F17-I20 PolarHBondContact O-N 2.87Å; I20-W22 VanDerWaalsContact C-N 3.3Å; I20-W22 PolarHBondContact O-N 3.48Å; I20-L23 PolarHBondContact O-N 3.36Å; I20-A24 WeakPolarHBondContact O-CB 3.5Å; I20-A24 PolarHBondContact O-N 2.96Å |
| 21 | F | 91.4 | Very high | 90.6 | Very high | 76 Ų | 76 | 61.3 Ų | 61.3 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 176.9 | -77.2 | -63.3 | 0 | 0 | 0 | 112.7 | F17 N18 A24 G25 I215 | F17-F21 WeakPolarHBondContact O-CD2 3.47Å; F17-F21 PolarHBondContact O-N 2.82Å; F17-F21 VanDerWaalsContact O-N 3.09Å; N18-F21 PolarHBondContact O-N 3.47Å; F21-A24 PolarHBondContact O-N 3.17Å; F21-G25 PolarHBondContact O-N 3.19Å; F21-I215 HydrophobicContact CE2-CG2 4.25Å; F21-I215 HydrophobicContact CZ-CG2 4.22Å |
| 22 | W | 96.3 | Very high | 90.2 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 28% | 0.284 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 175.2 | 177.2 | 66.9 | 0 | 0 | 0 | 112 | N18 F19 I20 G25 G26 M73 | N18-W22 VanDerWaalsContact O-CB 3.32Å; N18-W22 WeakPolarHBondContact O-CB 3.26Å; N18-W22 PolarHBondContact O-N 3.4Å; F19-W22 AromaticContact CD2-CE3 3.8Å; F19-W22 HydrophobicContact CD2-CE3 3.8Å; F19-W22 HydrophobicContact CD2-CZ3 4.26Å; F19-W22 AromaticContact CE2-CE3 3.54Å; F19-W22 HydrophobicContact CE2-CE3 3.54Å; F19-W22 AromaticContact CE2-CZ3 3.53Å; F19-W22 HydrophobicContact CE2-CZ3 3.53Å; F19-W22 HydrophobicContact CZ-CE3 4.26Å; F19-W22 HydrophobicContact CZ-CZ3 4.08Å; F19-W22 WeakPolarHBondContact O-CB 3.29Å; F19-W22 PolarHBondContact O-N 3.49Å; I20-W22 VanDerWaalsContact C-N 3.3Å; I20-W22 PolarHBondContact O-N 3.48Å; W22-G25 PolarHBondContact O-N 3.03Å; W22-G26 PolarHBondContact O-N 3.38Å; W22-M73 VanDerWaalsContact CD1-O 3.24Å; W22-M73 HydrophobicContact CZ2-CE 4.4Å |
| 23 | L | 94.6 | Very high | 90 | Very high | 85 Ų | 85 | 57.1 Ų | 57.1 | 45% | 0.445 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64 | -45 | 176.4 | -70.4 | 178.6 | 0 | 0 | 0 | 111.8 | F19 I20 G25 G26 V27 | F19-L23 HydrophobicContact CD1-CD1 4.07Å; F19-L23 HydrophobicContact CE1-CD1 3.61Å; F19-L23 HydrophobicContact CE1-CG 4.19Å; F19-L23 HydrophobicContact CZ-CD1 4.14Å; F19-L23 HydrophobicContact CZ-CD2 4.46Å; F19-L23 HydrophobicContact CZ-CG 4.34Å; F19-L23 WeakPolarHBondContact O-CG 3.28Å; F19-L23 PolarHBondContact O-N 3.19Å; I20-L23 PolarHBondContact O-N 3.36Å; L23-G25 VanDerWaalsContact C-N 3.32Å; L23-G25 PolarHBondContact O-N 3.31Å; L23-G26 PolarHBondContact O-N 3.48Å; L23-V27 WeakPolarHBondContact O-CG2 3.3Å; L23-V27 PolarHBondContact O-N 2.94Å |
| 24 | A | 91.7 | Very high | 89.4 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 34% | 0.339 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I20 F21 V27 I28 | I20-A24 WeakPolarHBondContact O-CB 3.5Å; I20-A24 PolarHBondContact O-N 2.96Å; F21-A24 PolarHBondContact O-N 3.17Å; A24-V27 PolarHBondContact O-N 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.11Å; A24-I28 PolarHBondContact O-N 3Å |
| 25 | G | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F21 W22 L23 I28 L29 M72 | F21-G25 PolarHBondContact O-N 3.19Å; W22-G25 PolarHBondContact O-N 3.03Å; L23-G25 VanDerWaalsContact C-N 3.32Å; L23-G25 PolarHBondContact O-N 3.31Å; G25-I28 PolarHBondContact O-N 2.92Å; G25-L29 VanDerWaalsContact O-CB 3.24Å; G25-L29 WeakPolarHBondContact O-CB 3.37Å; G25-L29 PolarHBondContact O-N 2.91Å; G25-M72 VanDerWaalsContact CA-CE 3.46Å |
| 26 | G | 92.7 | Very high | 87.7 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | W22 L23 G30 | W22-G26 PolarHBondContact O-N 3.38Å; L23-G26 PolarHBondContact O-N 3.48Å; G26-G30 PolarHBondContact O-N 3.21Å |
| 27 | V | 89.1 | Confident | 86.5 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 61% | 0.612 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.2 | -48.8 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L23 A24 L29 G30 V31 | L23-V27 WeakPolarHBondContact O-CG2 3.3Å; L23-V27 PolarHBondContact O-N 2.94Å; A24-V27 PolarHBondContact O-N 3.3Å; V27-L29 PolarHBondContact O-N 2.92Å; V27-G30 PolarHBondContact O-N 2.73Å; V27-V31 WeakPolarHBondContact O-CG2 3.26Å; V27-V31 PolarHBondContact O-N 2.97Å |
| 28 | I | 86.2 | Confident | 85.4 | Confident | 56 Ų | 56 | 59 Ų | 59 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 179.7 | -74.1 | 161 | 0 | 0 | 0 | 111.1 | A24 G25 G30 V31 A32 L65 M72 | A24-I28 WeakPolarHBondContact O-CG1 3.11Å; A24-I28 PolarHBondContact O-N 3Å; G25-I28 PolarHBondContact O-N 2.92Å; I28-G30 VanDerWaalsContact C-N 3.34Å; I28-G30 PolarHBondContact O-N 3.12Å; I28-V31 PolarHBondContact O-N 3.4Å; I28-A32 VanDerWaalsContact O-CB 3.3Å; I28-A32 WeakPolarHBondContact O-CB 3.43Å; I28-A32 PolarHBondContact O-N 3.33Å; I28-L65 HydrophobicContact CG2-CD1 3.69Å; I28-L65 HydrophobicContact CG2-CG 3.88Å; I28-M72 HydrophobicContact CD1-CE 3.43Å; I28-M72 VanDerWaalsContact CD1-CE 3.43Å |
| 29 | L | 89.6 | Confident | 83.4 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 177 | -178.4 | 60.9 | 0 | 0 | 0 | 111.5 | G25 V27 A32 L33 I66 A70 M73 | G25-L29 VanDerWaalsContact O-CB 3.24Å; G25-L29 WeakPolarHBondContact O-CB 3.37Å; G25-L29 PolarHBondContact O-N 2.91Å; V27-L29 PolarHBondContact O-N 2.92Å; L29-A32 PolarHBondContact O-N 2.87Å; L29-L33 HydrophobicContact CD1-CD1 4.08Å; L29-L33 HydrophobicContact CD1-CG 4.05Å; L29-L33 HydrophobicContact CG-CD1 3.97Å; L29-L33 HydrophobicContact CG-CG 4.36Å; L29-L33 WeakPolarHBondContact O-CB 3.36Å; L29-L33 VanDerWaalsContact O-CG 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.12Å; L29-L33 PolarHBondContact O-N 3.08Å; L29-I66 HydrophobicContact CD1-CB 4.44Å; L29-I66 HydrophobicContact CD1-CG2 3.89Å; L29-A70 HydrophobicContact CD1-CB 4.23Å; L29-A70 HydrophobicContact CD2-CB 4.43Å; L29-M73 HydrophobicContact CD2-SD 4.03Å |
| 30 | G | 86.1 | Confident | 81.5 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G26 V27 I28 A32 W34 | G26-G30 PolarHBondContact O-N 3.21Å; V27-G30 PolarHBondContact O-N 2.73Å; I28-G30 VanDerWaalsContact C-N 3.34Å; I28-G30 PolarHBondContact O-N 3.12Å; G30-A32 VanDerWaalsContact C-N 3.34Å; G30-A32 PolarHBondContact O-N 3.02Å; G30-W34 WeakPolarHBondContact O-CB 3.3Å; G30-W34 PolarHBondContact O-N 3.49Å |
| 31 | V | 79.9 | Confident | 79.5 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 111 | V27 I28 W34 L35 | V27-V31 WeakPolarHBondContact O-CG2 3.26Å; V27-V31 PolarHBondContact O-N 2.97Å; I28-V31 PolarHBondContact O-N 3.4Å; V31-W34 WeakPolarHBondContact O-CB 3.45Å; V31-W34 PolarHBondContact O-N 2.99Å; V31-L35 HydrophobicContact CG1-CD1 4.14Å; V31-L35 HydrophobicContact CG1-CG 4.4Å; V31-L35 WeakPolarHBondContact O-CB 3.49Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 2.87Å |
| 32 | A | 80.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.5 | -43.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I28 L29 G30 W34 L35 R36 V62 L65 I66 | I28-A32 VanDerWaalsContact O-CB 3.3Å; I28-A32 WeakPolarHBondContact O-CB 3.43Å; I28-A32 PolarHBondContact O-N 3.33Å; L29-A32 PolarHBondContact O-N 2.87Å; G30-A32 VanDerWaalsContact C-N 3.34Å; G30-A32 PolarHBondContact O-N 3.02Å; A32-W34 VanDerWaalsContact C-N 3.33Å; A32-L35 PolarHBondContact O-N 3.37Å; A32-R36 WeakPolarHBondContact O-CB 3.28Å; A32-R36 PolarHBondContact O-N 3.3Å; A32-V62 WeakPolarHBondContact O-CG1 3.49Å; A32-L65 HydrophobicContact CB-CB 3.92Å; A32-L65 HydrophobicContact CB-CD2 3.78Å; A32-L65 HydrophobicContact CB-CG 3.76Å; A32-I66 HydrophobicContact CB-CB 4.37Å; A32-I66 HydrophobicContact CB-CG1 3.54Å |
| 33 | L | 83.7 | Confident | 74.9 | Confident | 87 Ų | 87 | 59.5 Ų | 59.5 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 175 | -71.5 | 174.7 | 0 | 0 | 0 | 111.5 | L29 R36 H37 I66 | L29-L33 HydrophobicContact CD1-CD1 4.08Å; L29-L33 HydrophobicContact CD1-CG 4.05Å; L29-L33 HydrophobicContact CG-CD1 3.97Å; L29-L33 HydrophobicContact CG-CG 4.36Å; L29-L33 WeakPolarHBondContact O-CB 3.36Å; L29-L33 VanDerWaalsContact O-CG 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.12Å; L29-L33 PolarHBondContact O-N 3.08Å; L33-R36 PolarHBondContact O-N 3.49Å; L33-H37 WeakPolarHBondContact O-CB 3.4Å; L33-H37 PolarHBondContact O-N 3.42Å; L33-I66 HydrophobicContact CD2-CD1 4.1Å; L33-I66 HydrophobicContact CD2-CG1 4.3Å; L33-I66 HydrophobicContact CD2-CG2 4.49Å |
| 34 | W | 77.3 | Confident | 72.7 | Confident | 115 Ų | 115 | 57.6 Ų | 57.6 | 44% | 0.436 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 173.7 | -179.2 | -96.7 | 0 | 0 | 0 | 112 | G30 V31 A32 R36 D38 P141 S142 | G30-W34 WeakPolarHBondContact O-CB 3.3Å; G30-W34 PolarHBondContact O-N 3.49Å; V31-W34 WeakPolarHBondContact O-CB 3.45Å; V31-W34 PolarHBondContact O-N 2.99Å; A32-W34 VanDerWaalsContact C-N 3.33Å; W34-R36 PolarHBondContact O-N 3.37Å; W34-D38 WeakPolarHBondContact O-CB 3.48Å; W34-D38 PolarHBondContact O-N 3.29Å; W34-P141 HydrophobicContact CH2-CB 4.01Å; W34-P141 HydrophobicContact CH2-CG 3.81Å; W34-P141 HydrophobicContact CZ2-CB 3.6Å; W34-P141 HydrophobicContact CZ2-CG 3.58Å; W34-S142 VanDerWaalsContact NE1-CA 3.3Å |
| 35 | L | 71.9 | Confident | 70.6 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 174.2 | -73.2 | 173.6 | 0 | 0 | 0 | 112.1 | V31 A32 V62 L65 K133 | V31-L35 HydrophobicContact CG1-CD1 4.14Å; V31-L35 HydrophobicContact CG1-CG 4.4Å; V31-L35 WeakPolarHBondContact O-CB 3.49Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 2.87Å; A32-L35 PolarHBondContact O-N 3.37Å; L35-V62 HydrophobicContact CB-CG1 4.27Å; L35-V62 HydrophobicContact CB-CG2 4.4Å; L35-L65 HydrophobicContact CD1-CD2 4.45Å; L35-K133 HydrophobicContact CD2-CD 3.98Å |
| 36 | R | 73.5 | Confident | 68.5 | Low | 89 Ų | 89 | 61.8 Ų | 61.8 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -77.1 | -37.9 | -177.9 | -178.6 | 59.9 | -175.3 | 93.2 | -6.8 | 114.6 | A32 L33 W34 V62 Y63 I66 | A32-R36 WeakPolarHBondContact O-CB 3.28Å; A32-R36 PolarHBondContact O-N 3.3Å; L33-R36 PolarHBondContact O-N 3.49Å; W34-R36 PolarHBondContact O-N 3.37Å; R36-V62 HydrophobicContact CB-CG1 3.86Å; R36-Y63 PolarHBondContact NE-OH 2.88Å; R36-Y63 PolarHBondContact NH2-OH 2.87Å; R36-I66 HydrophobicContact CB-CD1 4.05Å; R36-I66 HydrophobicContact CG-CD1 4.2Å |
| 37 | H | 68.8 | Low | 66.2 | Low | 169 Ų | 169 | 67.3 Ų | 67.3 | 78% | 0.782 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -96.3 | -6.3 | -170.2 | -158.9 | 67.5 | 0 | 0 | 0 | 113.8 | L33 S39 | L33-H37 WeakPolarHBondContact O-CB 3.4Å; L33-H37 PolarHBondContact O-N 3.42Å; H37-S39 PolarHBondContact O-N 2.93Å; H37-S39 VanDerWaalsContact O-N 3.07Å |
| 38 | D | 65.6 | Low | 64.2 | Low | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.134 | 35% | 0.35 | C | S | . | . | trans | -67.5 | 108.3 | 173.9 | 178.7 | 24.6 | 0 | 0 | 0 | 110.9 | W34 K40 T41 K133 S142 | W34-D38 WeakPolarHBondContact O-CB 3.48Å; W34-D38 PolarHBondContact O-N 3.29Å; D38-K40 PolarHBondContact O-N 3.34Å; D38-K40 VanDerWaalsContact O-N 3.15Å; D38-T41 WeakPolarHBondContact CB-OG1 3.33Å; D38-T41 WeakPolarHBondContact O-CB 3.33Å; D38-T41 PolarHBondContact O-N 3.35Å; D38-T41 VanDerWaalsContact O-N 3.11Å; D38-T41 PolarHBondContact O-OG1 3.46Å; D38-T41 PolarHBondContact OD2-OG1 3.49Å; D38-K133 WeakPolarHBondContact OD2-CE 3.47Å; D38-K133 IonicContact OD2-NZ 3.17Å; D38-K133 PolarHBondContact OD2-NZ 3.09Å; D38-S142 WeakPolarHBondContact OD2-CB 3.32Å; D38-S142 PolarHBondContact OD2-OG 3.19Å | ||
| 39 | S | 52.4 | Low | 62.3 | Low | 81 Ų | 81 | 69.9 Ų | 69.9 | 57% | 0.566 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.8 | -20 | -170.9 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | H37 S42 N43 | H37-S39 PolarHBondContact O-N 2.93Å; H37-S39 VanDerWaalsContact O-N 3.07Å; S39-S42 PolarHBondContact O-OG 2.99Å; S39-N43 PolarHBondContact O-ND2 3.32Å |
| 40 | K | 52.8 | Low | 60 | Low | 83 Ų | 83 | 78.1 Ų | 78.1 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -79.3 | -30.9 | 176.3 | -66.1 | -164.8 | -178.5 | -176 | 0 | 113.2 | D38 S42 N43 L44 T138 | D38-K40 PolarHBondContact O-N 3.34Å; D38-K40 VanDerWaalsContact O-N 3.15Å; K40-S42 VanDerWaalsContact C-N 3.32Å; K40-S42 PolarHBondContact O-N 2.97Å; K40-N43 PolarHBondContact O-N 3.34Å; K40-L44 PolarHBondContact O-N 3Å; K40-T138 HydrophobicContact CD-CG2 4.36Å; K40-T138 VanDerWaalsContact NZ-CG2 3.29Å; K40-T138 PolarHBondContact NZ-O 3.16Å |
| 41 | T | 52.6 | Low | 58 | Low | 14 Ų | 14 | 79.6 Ų | 79.6 | 9% | 0.086 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 176 | -10.9 | 0 | 0 | 0 | 0 | 111.2 | D38 N43 L45 F58 K133 | D38-T41 WeakPolarHBondContact CB-OG1 3.33Å; D38-T41 WeakPolarHBondContact O-CB 3.33Å; D38-T41 PolarHBondContact O-N 3.35Å; D38-T41 VanDerWaalsContact O-N 3.11Å; D38-T41 PolarHBondContact O-OG1 3.46Å; D38-T41 PolarHBondContact OD2-OG1 3.49Å; T41-N43 VanDerWaalsContact C-N 3.34Å; T41-N43 PolarHBondContact O-N 3.28Å; T41-L45 HydrophobicContact CG2-CD1 4.24Å; T41-L45 WeakPolarHBondContact O-CB 3.14Å; T41-L45 VanDerWaalsContact O-CD1 3.3Å; T41-L45 WeakPolarHBondContact O-CD1 3.5Å; T41-L45 PolarHBondContact O-N 3.08Å; T41-L45 VanDerWaalsContact O-N 3.12Å; T41-F58 HydrophobicContact CG2-CE1 4.15Å; T41-F58 HydrophobicContact CG2-CZ 4.42Å; T41-K133 HydrophobicContact CG2-CD 3.63Å; T41-K133 HydrophobicContact CG2-CG 4.34Å; T41-K133 PolarHBondContact OG1-NZ 3.45Å |
| 42 | S | 48.7 | Very low | 56.1 | Low | 40 Ų | 40 | 84.7 Ų | 84.7 | 28% | 0.28 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -33.5 | 177.1 | 26.5 | 0 | 0 | 0 | 0 | 114.1 | S39 K40 I46 | S39-S42 PolarHBondContact O-OG 2.99Å; K40-S42 VanDerWaalsContact C-N 3.32Å; K40-S42 PolarHBondContact O-N 2.97Å; S42-I46 VanDerWaalsContact O-CD1 3.28Å; S42-I46 WeakPolarHBondContact O-CD1 3.34Å; S42-I46 WeakPolarHBondContact O-CG1 3.44Å |
| 43 | N | 43.3 | Very low | 54.1 | Low | 102 Ų | 102 | 93.4 Ų | 93.4 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -83 | -36.1 | 179.7 | -77.7 | -49.6 | 0 | 0 | 0 | 112.9 | S39 K40 T41 I46 L47 | S39-N43 PolarHBondContact O-ND2 3.32Å; K40-N43 PolarHBondContact O-N 3.34Å; T41-N43 VanDerWaalsContact C-N 3.34Å; T41-N43 PolarHBondContact O-N 3.28Å; N43-I46 PolarHBondContact O-N 3.4Å; N43-L47 PolarHBondContact O-N 2.97Å; N43-L47 VanDerWaalsContact O-N 3.17Å |
| 44 | L | 47.8 | Very low | 52.2 | Low | 46 Ų | 46 | 90.1 Ų | 90.1 | 24% | 0.241 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68 | -37 | 175.4 | -92.7 | 153.9 | 0 | 0 | 0 | 112.8 | K40 I46 L47 Q48 D136 | K40-L44 PolarHBondContact O-N 3Å; L44-I46 PolarHBondContact O-N 3.27Å; L44-L47 PolarHBondContact O-N 2.93Å; L44-Q48 WeakPolarHBondContact O-CB 3.43Å; L44-Q48 PolarHBondContact O-N 3.15Å; L44-D136 HydrophobicContact CD1-CB 4.22Å; L44-D136 VanDerWaalsContact CD1-CG 3.42Å; L44-D136 WeakPolarHBondContact CD1-OD2 3.32Å |
| 45 | L | 48 | Very low | 50.9 | Low | 26 Ų | 26 | 87 Ų | 87 | 14% | 0.136 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.7 | -17.6 | 175.5 | -92.9 | 142.6 | 0 | 0 | 0 | 113.6 | T41 A54 F58 Y59 | T41-L45 HydrophobicContact CG2-CD1 4.24Å; T41-L45 WeakPolarHBondContact O-CB 3.14Å; T41-L45 VanDerWaalsContact O-CD1 3.3Å; T41-L45 WeakPolarHBondContact O-CD1 3.5Å; T41-L45 PolarHBondContact O-N 3.08Å; T41-L45 VanDerWaalsContact O-N 3.12Å; L45-A54 HydrophobicContact CB-CB 3.7Å; L45-A54 HydrophobicContact CD2-CB 3.61Å; L45-A54 HydrophobicContact CG-CB 4.24Å; L45-F58 HydrophobicContact CD1-CD1 3.64Å; L45-F58 HydrophobicContact CD1-CE1 3.87Å; L45-Y59 HydrophobicContact CD1-CE2 4.45Å |
| 46 | I | 47.5 | Very low | 50.1 | Low | 102 Ų | 102 | 90.1 Ų | 90.1 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -88.8 | -36.1 | 173 | -66.2 | 166.9 | 0 | 0 | 0 | 111 | S42 N43 L44 | S42-I46 VanDerWaalsContact O-CD1 3.28Å; S42-I46 WeakPolarHBondContact O-CD1 3.34Å; S42-I46 WeakPolarHBondContact O-CG1 3.44Å; N43-I46 PolarHBondContact O-N 3.4Å; L44-I46 PolarHBondContact O-N 3.27Å |
| 47 | L | 45.2 | Very low | 49.2 | Very low | 144 Ų | 144 | 87 Ų | 87 | 75% | 0.754 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -76.6 | -29.3 | -179.3 | -83 | 165.9 | 0 | 0 | 0 | 113.7 | N43 L44 F49 | N43-L47 PolarHBondContact O-N 2.97Å; N43-L47 VanDerWaalsContact O-N 3.17Å; L44-L47 PolarHBondContact O-N 2.93Å; L47-F49 VanDerWaalsContact C-N 3.28Å; L47-F49 PolarHBondContact O-N 3.15Å |
| 48 | Q | 46.9 | Very low | 48.8 | Very low | 106 Ų | 106 | 79.4 Ų | 79.4 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -3.5 | -175.3 | -155.6 | 145.6 | -43.6 | 0 | 0 | 114.3 | L44 I132 | L44-Q48 WeakPolarHBondContact O-CB 3.43Å; L44-Q48 PolarHBondContact O-N 3.15Å; Q48-I132 VanDerWaalsContact NE2-CD1 3.31Å |
| 49 | F | 45.6 | Very low | 48.8 | Very low | 106 Ų | 106 | 80.9 Ų | 80.9 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 32.6 | -176.4 | -97.7 | -83.5 | 0 | 0 | 0 | 113.9 | L47 G51 Q52 P55 | L47-F49 VanDerWaalsContact C-N 3.28Å; L47-F49 PolarHBondContact O-N 3.15Å; F49-G51 PolarHBondContact O-N 3.06Å; F49-Q52 VanDerWaalsContact CB-O 3.29Å; F49-Q52 WeakPolarHBondContact CB-O 3.43Å; F49-Q52 PolarHBondContact O-N 2.9Å; F49-P55 HydrophobicContact CE2-CG 3.99Å; F49-P55 HydrophobicContact CZ-CG 4.34Å |
| 50 | E | 42.9 | Very low | 49.7 | Very low | 202 Ų | 202 | 80.9 Ų | 80.9 | 94% | 0.944 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.9 | 39.4 | 169.9 | -77.1 | -158.4 | 109.8 | 0 | 0 | 115.5 | ||
| 51 | G | 43 | Very low | 50.6 | Low | 72 Ų | 72 | 77.9 Ų | 77.9 | 74% | 0.742 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 9.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | F49 | F49-G51 PolarHBondContact O-N 3.06Š|
| 52 | Q | 40.1 | Very low | 51.7 | Low | 154 Ų | 154 | 77.2 Ų | 77.2 | 72% | 0.72 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -98.3 | 143.5 | 159.8 | -84.3 | 177.2 | -79.8 | 0 | 0 | 110.9 | F49 A54 | F49-Q52 VanDerWaalsContact CB-O 3.29Å; F49-Q52 WeakPolarHBondContact CB-O 3.43Å; F49-Q52 PolarHBondContact O-N 2.9Å; Q52-A54 PolarHBondContact O-N 3.34Å |
| 53 | Q | 38 | Very low | 53.3 | Low | 184 Ų | 184 | 80.9 Ų | 80.9 | 86% | 0.86 | 42% | 0.423 | S | S | * | . | trans | -53.6 | 133.5 | -177.8 | -69.4 | 178 | -27.8 | 0 | 0 | 110.8 | ||||
| 54 | A | 44.3 | Very low | 55.3 | Low | 17 Ų | 17 | 80.6 Ų | 80.6 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | trans | -24.8 | 130.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L45 Q52 S56 Y59 | L45-A54 HydrophobicContact CB-CB 3.7Å; L45-A54 HydrophobicContact CD2-CB 3.61Å; L45-A54 HydrophobicContact CG-CB 4.24Å; Q52-A54 PolarHBondContact O-N 3.34Å; A54-S56 PolarHBondContact O-N 3.14Å; A54-Y59 HydrophobicContact CB-CE2 4.01Å | ||
| 55 | P | 51.1 | Low | 57 | Low | 50 Ų | 50 | 80.8 Ų | 80.8 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | trans | -58.6 | 123.2 | 178.6 | 25.4 | -33.4 | 0 | 0 | 0 | 108.3 | F49 T57 F58 | F49-P55 HydrophobicContact CE2-CG 3.99Å; F49-P55 HydrophobicContact CZ-CG 4.34Å; P55-T57 PolarHBondContact O-N 2.73Å; P55-F58 PolarHBondContact O-N 3.3Å | ||
| 56 | S | 53.8 | Low | 59 | Low | 81 Ų | 81 | 81.1 Ų | 81.1 | 57% | 0.566 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -52.7 | -23.3 | -179 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | A54 F58 Y59 I60 | A54-S56 PolarHBondContact O-N 3.14Å; S56-F58 PolarHBondContact O-N 3.09Å; S56-Y59 PolarHBondContact O-N 2.92Å; S56-I60 WeakPolarHBondContact O-CB 3.36Å; S56-I60 WeakPolarHBondContact O-CD1 3.2Å; S56-I60 WeakPolarHBondContact O-CG1 3.31Å; S56-I60 PolarHBondContact O-N 3.41Å |
| 57 | T | 54.8 | Low | 61.1 | Low | 24 Ų | 24 | 78.8 Ų | 78.8 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 179.7 | 46.6 | 0 | 0 | 0 | 0 | 114.2 | P55 I60 S61 E122 | P55-T57 PolarHBondContact O-N 2.73Å; T57-I60 WeakPolarHBondContact O-CB 3.31Å; T57-I60 PolarHBondContact O-N 3.26Å; T57-S61 PolarHBondContact O-N 3.3Å; T57-S61 PolarHBondContact O-OG 3.04Å; T57-E122 VanDerWaalsContact CG2-OE2 3.25Å; T57-E122 WeakPolarHBondContact CG2-OE2 3.48Å |
| 58 | F | 60.8 | Low | 63.3 | Low | 9 Ų | 9 | 75.1 Ų | 75.1 | 4% | 0.039 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 177.3 | 174.5 | -111.9 | 0 | 0 | 0 | 112.2 | T41 L45 P55 S56 I60 S61 V62 A129 | T41-F58 HydrophobicContact CG2-CE1 4.15Å; T41-F58 HydrophobicContact CG2-CZ 4.42Å; L45-F58 HydrophobicContact CD1-CD1 3.64Å; L45-F58 HydrophobicContact CD1-CE1 3.87Å; P55-F58 PolarHBondContact O-N 3.3Å; S56-F58 PolarHBondContact O-N 3.09Å; F58-I60 VanDerWaalsContact C-N 3.26Å; F58-I60 PolarHBondContact O-N 2.87Å; F58-S61 PolarHBondContact O-N 3.09Å; F58-V62 HydrophobicContact CD1-CG2 4.47Å; F58-V62 HydrophobicContact CD2-CG2 4.23Å; F58-V62 HydrophobicContact CE1-CG2 4.03Å; F58-V62 HydrophobicContact CE2-CG2 3.81Å; F58-V62 HydrophobicContact CZ-CG2 3.7Å; F58-V62 WeakPolarHBondContact O-CG2 3.18Å; F58-V62 PolarHBondContact O-N 3.1Å; F58-A129 HydrophobicContact CB-CB 3.87Å; F58-A129 HydrophobicContact CD2-CB 3.07Å; F58-A129 HydrophobicContact CE2-CB 3.61Å; F58-A129 HydrophobicContact CG-CB 3.58Å |
| 59 | Y | 66.4 | Low | 65.5 | Low | 55 Ų | 55 | 70 Ų | 70 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 175.4 | -77.4 | -77.2 | 0 | 0 | 0 | 110.4 | L45 A54 S56 S61 V62 Y63 | L45-Y59 HydrophobicContact CD1-CE2 4.45Å; A54-Y59 HydrophobicContact CB-CE2 4.01Å; S56-Y59 PolarHBondContact O-N 2.92Å; Y59-S61 PolarHBondContact O-N 3.47Å; Y59-V62 PolarHBondContact O-N 3.37Å; Y59-Y63 HydrophobicContact CD1-CE2 4.48Å; Y59-Y63 WeakPolarHBondContact O-CB 3.11Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.17Å; Y59-Y63 PolarHBondContact O-N 2.87Å |
| 60 | I | 70.4 | Confident | 67.9 | Low | 81 Ų | 81 | 67 Ų | 67 | 42% | 0.415 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.2 | -49 | 174.2 | -71.3 | 162.5 | 0 | 0 | 0 | 110.8 | S56 T57 F58 V62 Y63 I64 | S56-I60 WeakPolarHBondContact O-CB 3.36Å; S56-I60 WeakPolarHBondContact O-CD1 3.2Å; S56-I60 WeakPolarHBondContact O-CG1 3.31Å; S56-I60 PolarHBondContact O-N 3.41Å; T57-I60 WeakPolarHBondContact O-CB 3.31Å; T57-I60 PolarHBondContact O-N 3.26Å; F58-I60 VanDerWaalsContact C-N 3.26Å; F58-I60 PolarHBondContact O-N 2.87Å; I60-V62 PolarHBondContact O-N 3.02Å; I60-Y63 PolarHBondContact O-N 2.93Å; I60-I64 HydrophobicContact CG2-CD1 3.73Å; I60-I64 HydrophobicContact CG2-CG1 4.43Å; I60-I64 VanDerWaalsContact O-CG1 3.25Å; I60-I64 WeakPolarHBondContact O-CG1 3.44Å; I60-I64 PolarHBondContact O-N 3.19Å |
| 61 | S | 70.6 | Confident | 70.4 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 178.9 | -51.7 | 0 | 0 | 0 | 0 | 113.1 | T57 F58 Y59 I64 L65 | T57-S61 PolarHBondContact O-N 3.3Å; T57-S61 PolarHBondContact O-OG 3.04Å; F58-S61 PolarHBondContact O-N 3.09Å; Y59-S61 PolarHBondContact O-N 3.47Å; S61-I64 PolarHBondContact O-N 2.93Å; S61-L65 PolarHBondContact O-N 2.99Å |
| 62 | V | 76.2 | Confident | 72.9 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 175.8 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | A32 L35 R36 F58 Y59 I60 I64 L65 I66 | A32-V62 WeakPolarHBondContact O-CG1 3.49Å; L35-V62 HydrophobicContact CB-CG1 4.27Å; L35-V62 HydrophobicContact CB-CG2 4.4Å; R36-V62 HydrophobicContact CB-CG1 3.86Å; F58-V62 HydrophobicContact CD1-CG2 4.47Å; F58-V62 HydrophobicContact CD2-CG2 4.23Å; F58-V62 HydrophobicContact CE1-CG2 4.03Å; F58-V62 HydrophobicContact CE2-CG2 3.81Å; F58-V62 HydrophobicContact CZ-CG2 3.7Å; F58-V62 WeakPolarHBondContact O-CG2 3.18Å; F58-V62 PolarHBondContact O-N 3.1Å; Y59-V62 PolarHBondContact O-N 3.37Å; I60-V62 PolarHBondContact O-N 3.02Å; V62-I64 VanDerWaalsContact C-N 3.34Å; V62-L65 PolarHBondContact O-N 3.49Å; V62-I66 HydrophobicContact CG1-CD1 4.23Å; V62-I66 VanDerWaalsContact O-CG1 3.32Å; V62-I66 WeakPolarHBondContact O-CG1 3.17Å; V62-I66 PolarHBondContact O-N 3.35Å |
| 63 | Y | 82.4 | Confident | 75.6 | Confident | 117 Ų | 117 | 55.1 Ų | 55.1 | 46% | 0.459 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 174.1 | -79.5 | -61.6 | 0 | 0 | 0 | 112.4 | R36 Y59 I60 L65 I66 A67 | R36-Y63 PolarHBondContact NE-OH 2.88Å; R36-Y63 PolarHBondContact NH2-OH 2.87Å; Y59-Y63 HydrophobicContact CD1-CE2 4.48Å; Y59-Y63 WeakPolarHBondContact O-CB 3.11Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.17Å; Y59-Y63 PolarHBondContact O-N 2.87Å; I60-Y63 PolarHBondContact O-N 2.93Å; Y63-L65 VanDerWaalsContact C-N 3.35Å; Y63-I66 HydrophobicContact CD1-CD1 4.29Å; Y63-I66 PolarHBondContact O-N 3.21Å; Y63-A67 WeakPolarHBondContact O-CB 3.31Å; Y63-A67 PolarHBondContact O-N 2.89Å |
| 64 | I | 85.1 | Confident | 78.4 | Confident | 96 Ų | 96 | 50.5 Ų | 50.5 | 49% | 0.492 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 172 | -69.9 | 163.4 | 0 | 0 | 0 | 109.9 | I60 S61 V62 I66 A67 V68 | I60-I64 HydrophobicContact CG2-CD1 3.73Å; I60-I64 HydrophobicContact CG2-CG1 4.43Å; I60-I64 VanDerWaalsContact O-CG1 3.25Å; I60-I64 WeakPolarHBondContact O-CG1 3.44Å; I60-I64 PolarHBondContact O-N 3.19Å; S61-I64 PolarHBondContact O-N 2.93Å; V62-I64 VanDerWaalsContact C-N 3.34Å; I64-I66 VanDerWaalsContact C-N 3.34Å; I64-I66 PolarHBondContact O-N 3.31Å; I64-A67 PolarHBondContact O-N 3.14Å; I64-A67 VanDerWaalsContact O-N 3.16Å; I64-V68 HydrophobicContact CG2-CG2 4.24Å; I64-V68 WeakPolarHBondContact O-CG2 3.47Å; I64-V68 PolarHBondContact O-N 3.27Å |
| 65 | L | 84.3 | Confident | 80.8 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 178.7 | -164.9 | 68.6 | 0 | 0 | 0 | 112.2 | I28 A32 L35 S61 V62 Y63 G69 | I28-L65 HydrophobicContact CG2-CD1 3.69Å; I28-L65 HydrophobicContact CG2-CG 3.88Å; A32-L65 HydrophobicContact CB-CB 3.92Å; A32-L65 HydrophobicContact CB-CD2 3.78Å; A32-L65 HydrophobicContact CB-CG 3.76Å; L35-L65 HydrophobicContact CD1-CD2 4.45Å; S61-L65 PolarHBondContact O-N 2.99Å; V62-L65 PolarHBondContact O-N 3.49Å; Y63-L65 VanDerWaalsContact C-N 3.35Å; L65-G69 PolarHBondContact O-N 3.04Å |
| 66 | I | 89.6 | Confident | 82.9 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 171.3 | -68.4 | 169 | 0 | 0 | 0 | 110 | L29 A32 L33 R36 V62 Y63 I64 G69 A70 | L29-I66 HydrophobicContact CD1-CB 4.44Å; L29-I66 HydrophobicContact CD1-CG2 3.89Å; A32-I66 HydrophobicContact CB-CB 4.37Å; A32-I66 HydrophobicContact CB-CG1 3.54Å; L33-I66 HydrophobicContact CD2-CD1 4.1Å; L33-I66 HydrophobicContact CD2-CG1 4.3Å; L33-I66 HydrophobicContact CD2-CG2 4.49Å; R36-I66 HydrophobicContact CB-CD1 4.05Å; R36-I66 HydrophobicContact CG-CD1 4.2Å; V62-I66 HydrophobicContact CG1-CD1 4.23Å; V62-I66 VanDerWaalsContact O-CG1 3.32Å; V62-I66 WeakPolarHBondContact O-CG1 3.17Å; V62-I66 PolarHBondContact O-N 3.35Å; Y63-I66 HydrophobicContact CD1-CD1 4.29Å; Y63-I66 PolarHBondContact O-N 3.21Å; I64-I66 VanDerWaalsContact C-N 3.34Å; I64-I66 PolarHBondContact O-N 3.31Å; I66-G69 PolarHBondContact O-N 3.26Å; I66-A70 WeakPolarHBondContact O-CB 3.2Å; I66-A70 PolarHBondContact O-N 3.06Å |
| 67 | A | 91.6 | Very high | 84.9 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 44% | 0.438 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y63 I64 A70 V71 | Y63-A67 WeakPolarHBondContact O-CB 3.31Å; Y63-A67 PolarHBondContact O-N 2.89Å; I64-A67 PolarHBondContact O-N 3.14Å; I64-A67 VanDerWaalsContact O-N 3.16Å; A67-A70 PolarHBondContact O-N 3.49Å; A67-V71 WeakPolarHBondContact O-CB 3.48Å; A67-V71 WeakPolarHBondContact O-CG2 3.3Å; A67-V71 PolarHBondContact O-N 3.11Å |
| 68 | V | 91.8 | Very high | 86.8 | Confident | 67 Ų | 67 | 48.3 Ų | 48.3 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | I64 A70 V71 M72 | I64-V68 HydrophobicContact CG2-CG2 4.24Å; I64-V68 WeakPolarHBondContact O-CG2 3.47Å; I64-V68 PolarHBondContact O-N 3.27Å; V68-A70 PolarHBondContact O-N 3.46Å; V68-V71 PolarHBondContact O-N 2.96Å; V68-M72 HydrophobicContact CG1-CG 4.36Å; V68-M72 HydrophobicContact CG1-SD 4.13Å; V68-M72 WeakPolarHBondContact O-CB 3.31Å; V68-M72 VanDerWaalsContact O-CG 3.29Å; V68-M72 WeakPolarHBondContact O-CG 3.43Å; V68-M72 PolarHBondContact O-N 3.22Å |
| 69 | G | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L65 I66 M73 | L65-G69 PolarHBondContact O-N 3.04Å; I66-G69 PolarHBondContact O-N 3.26Å; G69-M73 VanDerWaalsContact O-CB 3.32Å; G69-M73 WeakPolarHBondContact O-CB 3.44Å; G69-M73 PolarHBondContact O-N 3.25Å |
| 70 | A | 95.9 | Very high | 89.6 | Confident | 41 Ų | 41 | 45.8 Ų | 45.8 | 34% | 0.339 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L29 I66 A67 V68 M73 L74 | L29-A70 HydrophobicContact CD1-CB 4.23Å; L29-A70 HydrophobicContact CD2-CB 4.43Å; I66-A70 WeakPolarHBondContact O-CB 3.2Å; I66-A70 PolarHBondContact O-N 3.06Å; A67-A70 PolarHBondContact O-N 3.49Å; V68-A70 PolarHBondContact O-N 3.46Å; A70-M73 PolarHBondContact O-N 3.21Å; A70-L74 WeakPolarHBondContact O-CB 3.36Å; A70-L74 PolarHBondContact O-N 2.95Å |
| 71 | V | 95.7 | Very high | 90.7 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 177 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | A67 V68 M73 L74 V75 L101 | A67-V71 WeakPolarHBondContact O-CB 3.48Å; A67-V71 WeakPolarHBondContact O-CG2 3.3Å; A67-V71 PolarHBondContact O-N 3.11Å; V68-V71 PolarHBondContact O-N 2.96Å; V71-M73 VanDerWaalsContact C-N 3.34Å; V71-M73 PolarHBondContact O-N 3Å; V71-L74 PolarHBondContact O-N 3.21Å; V71-V75 HydrophobicContact CG1-CG2 4.27Å; V71-V75 WeakPolarHBondContact O-CB 3.47Å; V71-V75 VanDerWaalsContact O-CG2 3.32Å; V71-V75 WeakPolarHBondContact O-CG2 3.42Å; V71-V75 PolarHBondContact O-N 3.2Å; V71-L101 HydrophobicContact CG1-CD1 4.23Å; V71-L101 HydrophobicContact CG1-CD2 3.89Å |
| 72 | M | 95.2 | Very high | 91.6 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 177.1 | -68.5 | -168.5 | -22.8 | 0 | 0 | 112.2 | G25 I28 V68 G76 | G25-M72 VanDerWaalsContact CA-CE 3.46Å; I28-M72 HydrophobicContact CD1-CE 3.43Å; I28-M72 VanDerWaalsContact CD1-CE 3.43Å; V68-M72 HydrophobicContact CG1-CG 4.36Å; V68-M72 HydrophobicContact CG1-SD 4.13Å; V68-M72 WeakPolarHBondContact O-CB 3.31Å; V68-M72 VanDerWaalsContact O-CG 3.29Å; V68-M72 WeakPolarHBondContact O-CG 3.43Å; V68-M72 PolarHBondContact O-N 3.22Å; M72-G76 PolarHBondContact O-N 2.93Å |
| 73 | M | 96.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 175.9 | -171.3 | -179.5 | 177.3 | 0 | 0 | 111.5 | W22 L29 G69 A70 V71 F77 | W22-M73 VanDerWaalsContact CD1-O 3.24Å; W22-M73 HydrophobicContact CZ2-CE 4.4Å; L29-M73 HydrophobicContact CD2-SD 4.03Å; G69-M73 VanDerWaalsContact O-CB 3.32Å; G69-M73 WeakPolarHBondContact O-CB 3.44Å; G69-M73 PolarHBondContact O-N 3.25Å; A70-M73 PolarHBondContact O-N 3.21Å; V71-M73 VanDerWaalsContact C-N 3.34Å; V71-M73 PolarHBondContact O-N 3Å; M73-F77 VanDerWaalsContact O-CB 3.23Å; M73-F77 WeakPolarHBondContact O-CB 3.42Å; M73-F77 PolarHBondContact O-N 3.39Å |
| 74 | L | 95.9 | Very high | 92.6 | Very high | 86 Ų | 86 | 44.5 Ų | 44.5 | 45% | 0.45 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -51.4 | 177.7 | -177.9 | 74 | 0 | 0 | 0 | 111.5 | A70 V71 F77 L78 F97 | A70-L74 WeakPolarHBondContact O-CB 3.36Å; A70-L74 PolarHBondContact O-N 2.95Å; V71-L74 PolarHBondContact O-N 3.21Å; L74-F77 PolarHBondContact O-N 2.99Å; L74-L78 HydrophobicContact CG-CD1 4.29Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 2.98Å; L74-F97 HydrophobicContact CD2-CE2 4.49Å; L74-F97 HydrophobicContact CD2-CZ 4.2Å |
| 75 | V | 95.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | -176.9 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | V71 F77 L78 G79 F94 F97 L98 L101 | V71-V75 HydrophobicContact CG1-CG2 4.27Å; V71-V75 WeakPolarHBondContact O-CB 3.47Å; V71-V75 VanDerWaalsContact O-CG2 3.32Å; V71-V75 WeakPolarHBondContact O-CG2 3.42Å; V71-V75 PolarHBondContact O-N 3.2Å; V75-F77 VanDerWaalsContact C-N 3.33Å; V75-F77 PolarHBondContact O-N 3.22Å; V75-L78 PolarHBondContact O-N 3.47Å; V75-G79 PolarHBondContact O-N 2.93Å; V75-F94 HydrophobicContact CG1-CD2 3.82Å; V75-F94 HydrophobicContact CG1-CE2 3.51Å; V75-F94 VanDerWaalsContact O-CD2 3.31Å; V75-F94 WeakPolarHBondContact O-CD2 3.29Å; V75-F94 WeakPolarHBondContact O-CE2 3.39Å; V75-F97 HydrophobicContact CG2-CB 3.91Å; V75-F97 HydrophobicContact CG2-CG 4.26Å; V75-L98 HydrophobicContact CG1-CD2 4.17Å; V75-L101 HydrophobicContact CG1-CD1 4.46Å; V75-L101 HydrophobicContact CG2-CD1 4.09Å |
| 76 | G | 95.3 | Very high | 93 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M72 G79 C80 | M72-G76 PolarHBondContact O-N 2.93Å; G76-G79 PolarHBondContact O-N 3.5Å; G76-C80 WeakPolarHBondContact O-CB 3.49Å; G76-C80 PolarHBondContact O-N 3.3Å; G76-C80 PolarHBondContact O-SG 2.88Å |
| 77 | F | 95.1 | Very high | 93 | Very high | 94 Ų | 94 | 44.5 Ų | 44.5 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 174.8 | 174.8 | -99.1 | 0 | 0 | 0 | 112 | M73 L74 V75 G79 C80 Y81 | M73-F77 VanDerWaalsContact O-CB 3.23Å; M73-F77 WeakPolarHBondContact O-CB 3.42Å; M73-F77 PolarHBondContact O-N 3.39Å; L74-F77 PolarHBondContact O-N 2.99Å; V75-F77 VanDerWaalsContact C-N 3.33Å; V75-F77 PolarHBondContact O-N 3.22Å; F77-G79 PolarHBondContact O-N 3.38Å; F77-C80 PolarHBondContact O-N 2.86Å; F77-Y81 HydrophobicContact CE2-CG 4.49Å; F77-Y81 HydrophobicContact CZ-CD1 4.42Å; F77-Y81 HydrophobicContact CZ-CD2 4.46Å; F77-Y81 HydrophobicContact CZ-CG 4.16Å; F77-Y81 WeakPolarHBondContact O-CB 3.34Å; F77-Y81 PolarHBondContact O-N 3.46Å |
| 78 | L | 94.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 177.7 | -67.5 | 172.7 | 0 | 0 | 0 | 111.6 | L74 V75 G82 L90 F94 F97 | L74-L78 HydrophobicContact CG-CD1 4.29Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 2.98Å; V75-L78 PolarHBondContact O-N 3.47Å; L78-G82 WeakPolarHBondContact O-CA 3.46Å; L78-G82 PolarHBondContact O-N 3.04Å; L78-L90 HydrophobicContact CD2-CD1 3.95Å; L78-L90 HydrophobicContact CD2-CD2 4.24Å; L78-L90 HydrophobicContact CD2-CG 3.84Å; L78-F94 HydrophobicContact CB-CB 4.15Å; L78-F94 HydrophobicContact CB-CD2 4.4Å; L78-F97 HydrophobicContact CD1-CD2 3.7Å; L78-F97 HydrophobicContact CD1-CE2 3.75Å |
| 79 | G | 93.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V75 G76 F77 A83 | V75-G79 PolarHBondContact O-N 2.93Å; G76-G79 PolarHBondContact O-N 3.5Å; F77-G79 PolarHBondContact O-N 3.38Å; G79-A83 VanDerWaalsContact O-CB 3.28Å; G79-A83 WeakPolarHBondContact O-CB 3.29Å; G79-A83 PolarHBondContact O-N 2.88Å |
| 80 | C | 93.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -55.4 | 178.5 | -70 | 0 | 0 | 0 | 0 | 112.7 | F15 N18 F19 G76 F77 G82 A83 I84 | F15-C80 HydrophobicContact CD2-CB 3.89Å; F15-C80 HydrophobicContact CE2-CB 3.98Å; N18-C80 VanDerWaalsContact CB-SG 3.51Å; F19-C80 WeakPolarHBondContact CA-SG 3.27Å; F19-C80 PolarHBondContact N-SG 3.49Å; G76-C80 WeakPolarHBondContact O-CB 3.49Å; G76-C80 PolarHBondContact O-N 3.3Å; G76-C80 PolarHBondContact O-SG 2.88Å; F77-C80 PolarHBondContact O-N 2.86Å; C80-G82 VanDerWaalsContact C-N 3.31Å; C80-G82 PolarHBondContact O-N 3.43Å; C80-A83 PolarHBondContact O-N 3.49Å; C80-I84 PolarHBondContact O-N 3.25Å |
| 81 | Y | 92.5 | Very high | 92.7 | Very high | 104 Ų | 104 | 47.6 Ų | 47.6 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.1 | -35.7 | -174.2 | -162.9 | -110.4 | 0 | 0 | 0 | 110.3 | F77 I84 Q85 L90 | F77-Y81 HydrophobicContact CE2-CG 4.49Å; F77-Y81 HydrophobicContact CZ-CD1 4.42Å; F77-Y81 HydrophobicContact CZ-CD2 4.46Å; F77-Y81 HydrophobicContact CZ-CG 4.16Å; F77-Y81 WeakPolarHBondContact O-CB 3.34Å; F77-Y81 PolarHBondContact O-N 3.46Å; Y81-I84 PolarHBondContact O-N 3.14Å; Y81-Q85 HydrophobicContact CD1-CG 3.96Å; Y81-Q85 HydrophobicContact CD2-CG 4.23Å; Y81-Q85 HydrophobicContact CE1-CG 3.76Å; Y81-Q85 HydrophobicContact CE2-CG 4.06Å; Y81-Q85 HydrophobicContact CG-CG 4.2Å; Y81-Q85 WeakPolarHBondContact O-CB 3.41Å; Y81-Q85 VanDerWaalsContact O-CG 3.31Å; Y81-Q85 WeakPolarHBondContact O-CG 3.33Å; Y81-Q85 PolarHBondContact O-N 3.31Å; Y81-Q85 PolarHBondContact OH-NE2 3.44Å; Y81-L90 HydrophobicContact CD1-CD2 3.55Å; Y81-L90 HydrophobicContact CG-CD2 4.13Å |
| 82 | G | 90.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L78 C80 E86 S87 L90 | L78-G82 WeakPolarHBondContact O-CA 3.46Å; L78-G82 PolarHBondContact O-N 3.04Å; C80-G82 VanDerWaalsContact C-N 3.31Å; C80-G82 PolarHBondContact O-N 3.43Å; G82-E86 WeakPolarHBondContact O-CA 3.43Å; G82-E86 PolarHBondContact O-N 3.37Å; G82-E86 VanDerWaalsContact O-N 3.08Å; G82-S87 PolarHBondContact O-N 3.5Å; G82-L90 VanDerWaalsContact N-CD2 3.29Å |
| 83 | A | 90.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.5 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K11 L14 F15 G79 C80 L226 | K11-A83 WeakPolarHBondContact CE-O 3.19Å; L14-A83 HydrophobicContact CB-CB 4.4Å; F15-A83 HydrophobicContact CB-CB 4.46Å; G79-A83 VanDerWaalsContact O-CB 3.28Å; G79-A83 WeakPolarHBondContact O-CB 3.29Å; G79-A83 PolarHBondContact O-N 2.88Å; C80-A83 PolarHBondContact O-N 3.49Å; A83-L226 HydrophobicContact CB-CD2 4.16Å |
| 84 | I | 89.3 | Confident | 92.6 | Very high | 88 Ų | 88 | 43.3 Ų | 43.3 | 45% | 0.451 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.6 | -51.1 | -179.3 | -73 | 179.9 | 0 | 0 | 0 | 111.7 | K11 F15 C80 Y81 E86 | K11-I84 PolarHBondContact NZ-O 3.07Å; K11-I84 VanDerWaalsContact NZ-O 3.12Å; F15-I84 HydrophobicContact CD2-CD1 3.4Å; F15-I84 HydrophobicContact CD2-CG1 3.64Å; F15-I84 HydrophobicContact CE1-CD1 4.44Å; F15-I84 HydrophobicContact CE2-CD1 3.17Å; F15-I84 HydrophobicContact CE2-CG1 3.98Å; F15-I84 HydrophobicContact CG-CD1 4.16Å; F15-I84 HydrophobicContact CG-CG1 4.19Å; F15-I84 HydrophobicContact CZ-CD1 3.75Å; C80-I84 PolarHBondContact O-N 3.25Å; Y81-I84 PolarHBondContact O-N 3.14Å; I84-E86 PolarHBondContact O-N 3.02Å |
| 85 | Q | 88.8 | Confident | 92.6 | Very high | 107 Ų | 107 | 41.7 Ų | 41.7 | 50% | 0.5 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.8 | -12.3 | -176.9 | -69.5 | -116 | -18.6 | 0 | 0 | 113.1 | Y81 S87 | Y81-Q85 HydrophobicContact CD1-CG 3.96Å; Y81-Q85 HydrophobicContact CD2-CG 4.23Å; Y81-Q85 HydrophobicContact CE1-CG 3.76Å; Y81-Q85 HydrophobicContact CE2-CG 4.06Å; Y81-Q85 HydrophobicContact CG-CG 4.2Å; Y81-Q85 WeakPolarHBondContact O-CB 3.41Å; Y81-Q85 VanDerWaalsContact O-CG 3.31Å; Y81-Q85 WeakPolarHBondContact O-CG 3.33Å; Y81-Q85 PolarHBondContact O-N 3.31Å; Y81-Q85 PolarHBondContact OH-NE2 3.44Å; Q85-S87 PolarHBondContact O-N 3.07Å |
| 86 | E | 87.9 | Confident | 92.6 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 33 | -173.8 | -62.2 | 174.2 | 179.7 | 0 | 0 | 111.5 | K11 G82 I84 Q88 I230 | K11-E86 IonicContact NZ-OE1 2.73Å; K11-E86 PolarHBondContact NZ-OE1 3.17Å; G82-E86 WeakPolarHBondContact O-CA 3.43Å; G82-E86 PolarHBondContact O-N 3.37Å; G82-E86 VanDerWaalsContact O-N 3.08Å; I84-E86 PolarHBondContact O-N 3.02Å; E86-Q88 PolarHBondContact O-N 3.33Å; E86-I230 HydrophobicContact CB-CD1 3.85Å; E86-I230 HydrophobicContact CB-CG1 4.07Å; E86-I230 HydrophobicContact CG-CD1 4.34Å; E86-I230 HydrophobicContact CG-CG1 4.43Å |
| 87 | S | 89.9 | Confident | 92.7 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | trans | -87.6 | 111.1 | -177.8 | 178 | 0 | 0 | 0 | 0 | 110.5 | G82 Q85 C89 L90 L91 | G82-S87 PolarHBondContact O-N 3.5Å; Q85-S87 PolarHBondContact O-N 3.07Å; S87-C89 PolarHBondContact O-N 3Å; S87-L90 PolarHBondContact O-N 3.45Å; S87-L91 WeakPolarHBondContact O-CB 3.4Å; S87-L91 PolarHBondContact O-N 3.5Å | ||
| 88 | Q | 89.3 | Confident | 92.7 | Very high | 89 Ų | 89 | 46 Ų | 46 | 42% | 0.416 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -33.7 | 179.3 | -59.1 | -171.9 | -66.2 | 0 | 0 | 112.7 | E86 G92 C227 I230 R231 | E86-Q88 PolarHBondContact O-N 3.33Å; Q88-G92 PolarHBondContact O-N 3.02Å; Q88-C227 PolarHBondContact NE2-O 2.69Å; Q88-I230 HydrophobicContact CG-CB 4.41Å; Q88-I230 HydrophobicContact CG-CG2 3.81Å; Q88-R231 VanDerWaalsContact NE2-CB 3.3Å |
| 89 | C | 92.4 | Very high | 92.8 | Very high | 97 Ų | 97 | 48 Ų | 48 | 66% | 0.655 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.2 | -47.1 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | S87 G92 T93 | S87-C89 PolarHBondContact O-N 3Å; C89-G92 PolarHBondContact O-N 3.29Å; C89-T93 WeakPolarHBondContact O-CG2 3.5Å; C89-T93 PolarHBondContact O-N 3.37Å; C89-T93 PolarHBondContact O-OG1 3.39Å |
| 90 | L | 92.8 | Very high | 93 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.4 | -36.4 | -178.7 | -141.5 | 86 | 0 | 0 | 0 | 112.7 | L78 Y81 G82 S87 G92 T93 F94 | L78-L90 HydrophobicContact CD2-CD1 3.95Å; L78-L90 HydrophobicContact CD2-CD2 4.24Å; L78-L90 HydrophobicContact CD2-CG 3.84Å; Y81-L90 HydrophobicContact CD1-CD2 3.55Å; Y81-L90 HydrophobicContact CG-CD2 4.13Å; G82-L90 VanDerWaalsContact N-CD2 3.29Å; S87-L90 PolarHBondContact O-N 3.45Å; L90-G92 VanDerWaalsContact C-N 3.32Å; L90-T93 WeakPolarHBondContact CA-OG1 3.16Å; L90-T93 PolarHBondContact O-N 3.03Å; L90-T93 PolarHBondContact O-OG1 3.04Å; L90-F94 WeakPolarHBondContact O-CB 3.23Å; L90-F94 PolarHBondContact O-N 2.92Å |
| 91 | L | 92.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.8 | -31.5 | 176 | -144.8 | 73.2 | 0 | 0 | 0 | 111.2 | S87 F95 T223 L226 C227 | S87-L91 WeakPolarHBondContact O-CB 3.4Å; S87-L91 PolarHBondContact O-N 3.5Å; L91-F95 PolarHBondContact O-N 3.43Å; L91-T223 HydrophobicContact CD2-CG2 4.2Å; L91-T223 WeakPolarHBondContact CD2-O 3.32Å; L91-T223 HydrophobicContact CG-CG2 3.79Å; L91-T223 WeakPolarHBondContact O-CG2 3.15Å; L91-L226 HydrophobicContact CD1-CD2 4.47Å; L91-L226 HydrophobicContact CD2-CB 3.87Å; L91-L226 HydrophobicContact CD2-CD2 3.81Å; L91-L226 HydrophobicContact CD2-CG 3.84Å; L91-C227 HydrophobicContact CD2-CB 4.43Å |
| 92 | G | 93.5 | Very high | 93.3 | Very high | 34 Ų | 34 | 51.4 Ų | 51.4 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q88 C89 L90 F95 F96 | Q88-G92 PolarHBondContact O-N 3.02Å; C89-G92 PolarHBondContact O-N 3.29Å; L90-G92 VanDerWaalsContact C-N 3.32Å; G92-F95 PolarHBondContact O-N 3.41Å; G92-F96 PolarHBondContact O-N 3.38Å |
| 93 | T | 95.2 | Very high | 93.5 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 33% | 0.331 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 174 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | C89 L90 F95 F96 F97 | C89-T93 WeakPolarHBondContact O-CG2 3.5Å; C89-T93 PolarHBondContact O-N 3.37Å; C89-T93 PolarHBondContact O-OG1 3.39Å; L90-T93 WeakPolarHBondContact CA-OG1 3.16Å; L90-T93 PolarHBondContact O-N 3.03Å; L90-T93 PolarHBondContact O-OG1 3.04Å; T93-F95 PolarHBondContact O-N 2.83Å; T93-F96 PolarHBondContact O-N 2.91Å; T93-F97 WeakPolarHBondContact O-CD2 3.43Å; T93-F97 PolarHBondContact O-N 3.32Å |
| 94 | F | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.4 | -50.4 | 171.7 | 175.1 | -112.1 | 0 | 0 | 0 | 111.9 | N18 V75 L78 L90 F96 F97 L98 E219 T223 | N18-F94 WeakPolarHBondContact OD1-CE2 3.35Å; N18-F94 WeakPolarHBondContact OD1-CZ 3.45Å; V75-F94 HydrophobicContact CG1-CD2 3.82Å; V75-F94 HydrophobicContact CG1-CE2 3.51Å; V75-F94 VanDerWaalsContact O-CD2 3.31Å; V75-F94 WeakPolarHBondContact O-CD2 3.29Å; V75-F94 WeakPolarHBondContact O-CE2 3.39Å; L78-F94 HydrophobicContact CB-CB 4.15Å; L78-F94 HydrophobicContact CB-CD2 4.4Å; L90-F94 WeakPolarHBondContact O-CB 3.23Å; L90-F94 PolarHBondContact O-N 2.92Å; F94-F96 VanDerWaalsContact C-N 3.33Å; F94-F96 PolarHBondContact O-N 2.65Å; F94-F97 PolarHBondContact O-N 2.89Å; F94-L98 HydrophobicContact CD1-CD1 4.11Å; F94-L98 HydrophobicContact CE1-CD1 3.49Å; F94-L98 VanDerWaalsContact CE1-CD1 3.49Å; F94-L98 HydrophobicContact CE1-CG 4.22Å; F94-L98 HydrophobicContact CE2-CD1 4.26Å; F94-L98 HydrophobicContact CE2-CD2 4.22Å; F94-L98 HydrophobicContact CE2-CG 4.19Å; F94-L98 HydrophobicContact CZ-CD1 3.58Å; F94-L98 HydrophobicContact CZ-CD2 4.15Å; F94-L98 HydrophobicContact CZ-CG 4Å; F94-L98 PolarHBondContact O-N 2.97Å; F94-E219 HydrophobicContact CZ-CB 4.44Å; F94-T223 HydrophobicContact CD1-CG2 4.22Å; F94-T223 VanDerWaalsContact CD1-OG1 3.31Å; F94-T223 WeakPolarHBondContact CD1-OG1 3.22Å; F94-T223 WeakPolarHBondContact CE1-OG1 3.36Å |
| 95 | F | 96 | Very high | 94 | Very high | 52 Ų | 52 | 55 Ų | 55 | 23% | 0.228 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 176.6 | -176.9 | -93.9 | 0 | 0 | 0 | 112.7 | L91 G92 T93 F97 L98 V99 M220 T223 M224 | L91-F95 PolarHBondContact O-N 3.43Å; G92-F95 PolarHBondContact O-N 3.41Å; T93-F95 PolarHBondContact O-N 2.83Å; F95-F97 VanDerWaalsContact C-N 3.34Å; F95-F97 PolarHBondContact O-N 2.84Å; F95-L98 PolarHBondContact O-N 3.41Å; F95-V99 HydrophobicContact CD1-CG2 4.05Å; F95-V99 HydrophobicContact CE1-CG2 3.57Å; F95-V99 HydrophobicContact CZ-CG2 3.88Å; F95-V99 WeakPolarHBondContact O-CG2 3.35Å; F95-V99 PolarHBondContact O-N 3.45Å; F95-M220 HydrophobicContact CD2-CB 4.14Å; F95-M220 HydrophobicContact CD2-CG 4.07Å; F95-M220 HydrophobicContact CE2-CB 3.73Å; F95-M220 HydrophobicContact CE2-CG 3.85Å; F95-M220 HydrophobicContact CE2-SD 4.29Å; F95-T223 HydrophobicContact CB-CG2 3.79Å; F95-T223 HydrophobicContact CD2-CG2 4.09Å; F95-T223 HydrophobicContact CG-CG2 4.4Å; F95-M224 HydrophobicContact CD1-CE 3.5Å; F95-M224 VanDerWaalsContact CD1-CE 3.5Å; F95-M224 HydrophobicContact CD2-CE 3.63Å; F95-M224 HydrophobicContact CD2-CG 4Å; F95-M224 HydrophobicContact CE1-CE 3.33Å; F95-M224 HydrophobicContact CE2-CE 3.45Å; F95-M224 VanDerWaalsContact CE2-CE 3.45Å; F95-M224 HydrophobicContact CE2-CG 3.68Å; F95-M224 HydrophobicContact CE2-SD 4.43Å; F95-M224 HydrophobicContact CG-CE 3.65Å; F95-M224 HydrophobicContact CZ-CE 3.31Å; F95-M224 HydrophobicContact CZ-CG 4.31Å |
| 96 | F | 96.3 | Very high | 94.3 | Very high | 125 Ų | 125 | 53.1 Ų | 53.1 | 55% | 0.548 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 178.2 | 175.9 | -104.7 | 0 | 0 | 0 | 112.1 | G92 T93 F94 V99 I100 | G92-F96 PolarHBondContact O-N 3.38Å; T93-F96 PolarHBondContact O-N 2.91Å; F94-F96 VanDerWaalsContact C-N 3.33Å; F94-F96 PolarHBondContact O-N 2.65Å; F96-V99 PolarHBondContact O-N 3.5Å; F96-I100 HydrophobicContact CD1-CD1 3.9Å; F96-I100 HydrophobicContact CE1-CD1 3.32Å; F96-I100 HydrophobicContact CE1-CG1 4.48Å; F96-I100 HydrophobicContact CE2-CD1 4.08Å; F96-I100 HydrophobicContact CZ-CD1 3.44Å; F96-I100 VanDerWaalsContact CZ-CD1 3.44Å; F96-I100 HydrophobicContact CZ-CG1 4.37Å; F96-I100 PolarHBondContact O-N 2.89Å; F96-I100 VanDerWaalsContact O-N 3.14Å |
| 97 | F | 96.5 | Very high | 94.7 | Very high | 69 Ų | 69 | 54.3 Ų | 54.3 | 30% | 0.303 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 174.4 | -80.2 | -66.8 | 0 | 0 | 0 | 112.4 | L74 V75 L78 T93 F94 F95 V99 I100 L101 | L74-F97 HydrophobicContact CD2-CE2 4.49Å; L74-F97 HydrophobicContact CD2-CZ 4.2Å; V75-F97 HydrophobicContact CG2-CB 3.91Å; V75-F97 HydrophobicContact CG2-CG 4.26Å; L78-F97 HydrophobicContact CD1-CD2 3.7Å; L78-F97 HydrophobicContact CD1-CE2 3.75Å; T93-F97 WeakPolarHBondContact O-CD2 3.43Å; T93-F97 PolarHBondContact O-N 3.32Å; F94-F97 PolarHBondContact O-N 2.89Å; F95-F97 VanDerWaalsContact C-N 3.34Å; F95-F97 PolarHBondContact O-N 2.84Å; F97-V99 VanDerWaalsContact C-N 3.34Å; F97-V99 PolarHBondContact O-N 2.83Å; F97-I100 PolarHBondContact O-N 3.26Å; F97-L101 WeakPolarHBondContact O-CB 3.4Å; F97-L101 VanDerWaalsContact O-CG 3.31Å; F97-L101 WeakPolarHBondContact O-CG 3.31Å; F97-L101 PolarHBondContact O-N 3.48Å |
| 98 | L | 95.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 175.9 | -70.2 | -177.3 | 0 | 0 | 0 | 112.5 | V75 F94 F95 I100 L101 F102 E219 M220 | V75-L98 HydrophobicContact CG1-CD2 4.17Å; F94-L98 HydrophobicContact CD1-CD1 4.11Å; F94-L98 HydrophobicContact CE1-CD1 3.49Å; F94-L98 VanDerWaalsContact CE1-CD1 3.49Å; F94-L98 HydrophobicContact CE1-CG 4.22Å; F94-L98 HydrophobicContact CE2-CD1 4.26Å; F94-L98 HydrophobicContact CE2-CD2 4.22Å; F94-L98 HydrophobicContact CE2-CG 4.19Å; F94-L98 HydrophobicContact CZ-CD1 3.58Å; F94-L98 HydrophobicContact CZ-CD2 4.15Å; F94-L98 HydrophobicContact CZ-CG 4Å; F94-L98 PolarHBondContact O-N 2.97Å; F95-L98 PolarHBondContact O-N 3.41Å; L98-I100 PolarHBondContact O-N 2.98Å; L98-L101 PolarHBondContact O-N 3.28Å; L98-F102 WeakPolarHBondContact O-CB 3.19Å; L98-F102 PolarHBondContact O-N 3.11Å; L98-E219 HydrophobicContact CD1-CB 3.65Å; L98-M220 HydrophobicContact CB-CG 3.78Å; L98-M220 HydrophobicContact CB-SD 4.35Å; L98-M220 HydrophobicContact CD1-CG 3.84Å |
| 99 | V | 96.8 | Very high | 94.9 | Very high | 63 Ų | 63 | 53.7 Ų | 53.7 | 38% | 0.382 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | F95 F96 F97 F102 A103 M220 | F95-V99 HydrophobicContact CD1-CG2 4.05Å; F95-V99 HydrophobicContact CE1-CG2 3.57Å; F95-V99 HydrophobicContact CZ-CG2 3.88Å; F95-V99 WeakPolarHBondContact O-CG2 3.35Å; F95-V99 PolarHBondContact O-N 3.45Å; F96-V99 PolarHBondContact O-N 3.5Å; F97-V99 VanDerWaalsContact C-N 3.34Å; F97-V99 PolarHBondContact O-N 2.83Å; V99-F102 PolarHBondContact O-N 3.27Å; V99-A103 PolarHBondContact O-N 2.84Å; V99-M220 HydrophobicContact CG2-SD 3.84Å |
| 100 | I | 96.8 | Very high | 95 | Very high | 71 Ų | 71 | 53.8 Ų | 53.8 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 176 | -69.7 | 173 | 0 | 0 | 0 | 110.6 | F96 F97 L98 F102 A103 C104 | F96-I100 HydrophobicContact CD1-CD1 3.9Å; F96-I100 HydrophobicContact CE1-CD1 3.32Å; F96-I100 HydrophobicContact CE1-CG1 4.48Å; F96-I100 HydrophobicContact CE2-CD1 4.08Å; F96-I100 HydrophobicContact CZ-CD1 3.44Å; F96-I100 VanDerWaalsContact CZ-CD1 3.44Å; F96-I100 HydrophobicContact CZ-CG1 4.37Å; F96-I100 PolarHBondContact O-N 2.89Å; F96-I100 VanDerWaalsContact O-N 3.14Å; F97-I100 PolarHBondContact O-N 3.26Å; L98-I100 PolarHBondContact O-N 2.98Å; I100-F102 VanDerWaalsContact C-N 3.32Å; I100-F102 PolarHBondContact O-N 2.84Å; I100-A103 PolarHBondContact O-N 2.88Å; I100-C104 PolarHBondContact O-N 2.77Å; I100-C104 PolarHBondContact O-SG 3.35Å; I100-C104 VanDerWaalsContact O-SG 3.36Å |
| 101 | L | 95.6 | Very high | 95 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | -179.8 | -72.3 | 177.1 | 0 | 0 | 0 | 112 | V71 V75 F97 L98 A103 C104 E105 M216 | V71-L101 HydrophobicContact CG1-CD1 4.23Å; V71-L101 HydrophobicContact CG1-CD2 3.89Å; V75-L101 HydrophobicContact CG1-CD1 4.46Å; V75-L101 HydrophobicContact CG2-CD1 4.09Å; F97-L101 WeakPolarHBondContact O-CB 3.4Å; F97-L101 VanDerWaalsContact O-CG 3.31Å; F97-L101 WeakPolarHBondContact O-CG 3.31Å; F97-L101 PolarHBondContact O-N 3.48Å; L98-L101 PolarHBondContact O-N 3.28Å; L101-A103 PolarHBondContact O-N 3.39Å; L101-C104 PolarHBondContact O-N 3.32Å; L101-E105 WeakPolarHBondContact O-CB 3.23Å; L101-E105 PolarHBondContact O-N 3.27Å; L101-M216 HydrophobicContact CB-CE 3.98Å; L101-M216 HydrophobicContact CB-SD 4.08Å |
| 102 | F | 96.2 | Very high | 94.9 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.4 | -175.8 | -99.9 | 0 | 0 | 0 | 111.9 | L98 V99 I100 E105 V106 A213 M216 I217 M220 | L98-F102 WeakPolarHBondContact O-CB 3.19Å; L98-F102 PolarHBondContact O-N 3.11Å; V99-F102 PolarHBondContact O-N 3.27Å; I100-F102 VanDerWaalsContact C-N 3.32Å; I100-F102 PolarHBondContact O-N 2.84Å; F102-E105 PolarHBondContact O-N 3.39Å; F102-V106 HydrophobicContact CE1-CG2 4.23Å; F102-V106 HydrophobicContact CZ-CG2 4.35Å; F102-V106 WeakPolarHBondContact O-CG2 3.4Å; F102-V106 PolarHBondContact O-N 3.03Å; F102-A213 HydrophobicContact CE2-CB 4.07Å; F102-M216 HydrophobicContact CB-SD 4.23Å; F102-I217 HydrophobicContact CE2-CD1 4.05Å; F102-I217 HydrophobicContact CE2-CG1 4.11Å; F102-I217 HydrophobicContact CZ-CD1 4.34Å; F102-M220 HydrophobicContact CG-CE 4.45Å |
| 103 | A | 96.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 63.7 Ų | 63.7 | 49% | 0.488 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V99 I100 L101 V106 A107 | V99-A103 PolarHBondContact O-N 2.84Å; I100-A103 PolarHBondContact O-N 2.88Å; L101-A103 PolarHBondContact O-N 3.39Å; A103-V106 PolarHBondContact O-N 3.36Å; A103-A107 WeakPolarHBondContact O-CB 3.28Å; A103-A107 PolarHBondContact O-N 3.27Å |
| 104 | C | 95.4 | Very high | 94.5 | Very high | 71 Ų | 71 | 68 Ų | 68 | 48% | 0.48 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 174.5 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | I100 L101 A107 A108 | I100-C104 PolarHBondContact O-N 2.77Å; I100-C104 PolarHBondContact O-SG 3.35Å; I100-C104 VanDerWaalsContact O-SG 3.36Å; L101-C104 PolarHBondContact O-N 3.32Å; C104-A107 PolarHBondContact O-N 3.5Å; C104-A108 VanDerWaalsContact O-CB 3.23Å; C104-A108 WeakPolarHBondContact O-CB 3.46Å; C104-A108 PolarHBondContact O-N 2.87Å |
| 105 | E | 93.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 70.6 Ų | 70.6 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 177.5 | -179.2 | 176.8 | -168.4 | 0 | 0 | 111 | L101 F102 A107 A108 A109 V212 A213 | L101-E105 WeakPolarHBondContact O-CB 3.23Å; L101-E105 PolarHBondContact O-N 3.27Å; F102-E105 PolarHBondContact O-N 3.39Å; E105-A107 PolarHBondContact O-N 3.08Å; E105-A108 PolarHBondContact O-N 3.04Å; E105-A109 VanDerWaalsContact O-CB 3.26Å; E105-A109 WeakPolarHBondContact O-CB 3.26Å; E105-A109 PolarHBondContact O-N 2.82Å; E105-V212 WeakPolarHBondContact OE1-CB 3.49Å; E105-V212 WeakPolarHBondContact OE1-CG1 3.21Å; E105-A213 PolarHBondContact OE1-N 3.13Å |
| 106 | V | 95.5 | Very high | 93.9 | Very high | 69 Ų | 69 | 73.2 Ų | 73.2 | 42% | 0.418 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 111 | F102 A103 A109 I110 | F102-V106 HydrophobicContact CE1-CG2 4.23Å; F102-V106 HydrophobicContact CZ-CG2 4.35Å; F102-V106 WeakPolarHBondContact O-CG2 3.4Å; F102-V106 PolarHBondContact O-N 3.03Å; A103-V106 PolarHBondContact O-N 3.36Å; V106-A109 PolarHBondContact O-N 3.47Å; V106-I110 HydrophobicContact CG1-CD1 3.93Å; V106-I110 VanDerWaalsContact O-CG1 3.29Å; V106-I110 WeakPolarHBondContact O-CG1 3.47Å; V106-I110 PolarHBondContact O-N 2.79Å |
| 107 | A | 95.8 | Very high | 93.5 | Very high | 58 Ų | 58 | 71.8 Ų | 71.8 | 48% | 0.479 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | A103 C104 E105 I110 W111 | A103-A107 WeakPolarHBondContact O-CB 3.28Å; A103-A107 PolarHBondContact O-N 3.27Å; C104-A107 PolarHBondContact O-N 3.5Å; E105-A107 PolarHBondContact O-N 3.08Å; A107-I110 PolarHBondContact O-N 3.36Å; A107-W111 WeakPolarHBondContact O-CB 3.29Å; A107-W111 PolarHBondContact O-N 2.89Å |
| 108 | A | 91.8 | Very high | 93.1 | Very high | 61 Ų | 61 | 71.6 Ų | 71.6 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | C104 E105 W111 G112 | C104-A108 VanDerWaalsContact O-CB 3.23Å; C104-A108 WeakPolarHBondContact O-CB 3.46Å; C104-A108 PolarHBondContact O-N 2.87Å; E105-A108 PolarHBondContact O-N 3.04Å; A108-W111 PolarHBondContact O-N 3.21Å; A108-G112 WeakPolarHBondContact O-CA 3.35Å; A108-G112 PolarHBondContact O-N 3.01Å |
| 109 | A | 91.9 | Very high | 92.6 | Very high | 53 Ų | 53 | 73.7 Ų | 73.7 | 44% | 0.438 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E105 V106 F113 | E105-A109 VanDerWaalsContact O-CB 3.26Å; E105-A109 WeakPolarHBondContact O-CB 3.26Å; E105-A109 PolarHBondContact O-N 2.82Å; V106-A109 PolarHBondContact O-N 3.47Å; A109-F113 VanDerWaalsContact O-CB 3.28Å; A109-F113 WeakPolarHBondContact O-CB 3.46Å; A109-F113 PolarHBondContact O-N 3.31Å |
| 110 | I | 93.8 | Very high | 92.2 | Very high | 99 Ų | 99 | 71.2 Ų | 71.2 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.7 | -50.2 | 176.4 | -65.5 | 165.7 | 0 | 0 | 0 | 110.2 | V106 A107 G112 F113 M114 | V106-I110 HydrophobicContact CG1-CD1 3.93Å; V106-I110 VanDerWaalsContact O-CG1 3.29Å; V106-I110 WeakPolarHBondContact O-CG1 3.47Å; V106-I110 PolarHBondContact O-N 2.79Å; A107-I110 PolarHBondContact O-N 3.36Å; I110-G112 PolarHBondContact O-N 3.47Å; I110-F113 PolarHBondContact O-N 2.96Å; I110-M114 HydrophobicContact CG2-SD 4.05Å; I110-M114 WeakPolarHBondContact O-CG 3.37Å; I110-M114 PolarHBondContact O-N 2.78Å |
| 111 | W | 92.8 | Very high | 91.7 | Very high | 138 Ų | 138 | 74.2 Ų | 74.2 | 52% | 0.523 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | -177.4 | -176.2 | 82.9 | 0 | 0 | 0 | 112.5 | A107 A108 F113 M114 N115 M119 | A107-W111 WeakPolarHBondContact O-CB 3.29Å; A107-W111 PolarHBondContact O-N 2.89Å; A108-W111 PolarHBondContact O-N 3.21Å; W111-F113 VanDerWaalsContact C-N 3.34Å; W111-M114 PolarHBondContact O-N 3.49Å; W111-N115 HydrophobicContact CZ2-CB 4.45Å; W111-N115 PolarHBondContact NE1-ND2 2.81Å; W111-N115 WeakPolarHBondContact O-CB 3.49Å; W111-N115 PolarHBondContact O-N 2.94Å; W111-N115 PolarHBondContact O-ND2 3.33Å; W111-M119 HydrophobicContact CE3-CE 4.07Å; W111-M119 HydrophobicContact CE3-SD 4.24Å; W111-M119 HydrophobicContact CH2-CE 3.15Å; W111-M119 HydrophobicContact CH2-SD 4.3Å; W111-M119 HydrophobicContact CZ2-CE 4.32Å; W111-M119 HydrophobicContact CZ3-CE 3Å; W111-M119 HydrophobicContact CZ3-SD 3.55Å; W111-M119 VanDerWaalsContact CZ3-SD 3.55Å |
| 112 | G | 90.4 | Very high | 91.1 | Very high | 19 Ų | 19 | 75.1 Ų | 75.1 | 20% | 0.196 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.8 | -35.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A108 I110 N115 R116 | A108-G112 WeakPolarHBondContact O-CA 3.35Å; A108-G112 PolarHBondContact O-N 3.01Å; I110-G112 PolarHBondContact O-N 3.47Å; G112-N115 CarbonylContact O-C 3.01Å; G112-R116 VanDerWaalsContact O-CA 3.29Å; G112-R116 WeakPolarHBondContact O-CA 3.42Å; G112-R116 PolarHBondContact O-N 3.04Å |
| 113 | F | 89.1 | Confident | 90.6 | Very high | 126 Ų | 126 | 74.3 Ų | 74.3 | 55% | 0.553 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.9 | -44.9 | 173 | -175.9 | -99.1 | 0 | 0 | 0 | 111.9 | A109 I110 W111 N115 L202 | A109-F113 VanDerWaalsContact O-CB 3.28Å; A109-F113 WeakPolarHBondContact O-CB 3.46Å; A109-F113 PolarHBondContact O-N 3.31Å; I110-F113 PolarHBondContact O-N 2.96Å; W111-F113 VanDerWaalsContact C-N 3.34Å; F113-N115 VanDerWaalsContact C-N 3.33Å; F113-N115 PolarHBondContact O-N 3.49Å; F113-L202 HydrophobicContact CD2-CD1 4.01Å; F113-L202 HydrophobicContact CD2-CD2 3.9Å; F113-L202 HydrophobicContact CE2-CD1 4.18Å; F113-L202 HydrophobicContact CE2-CD2 3.91Å |
| 114 | M | 92.1 | Very high | 90.1 | Very high | 145 Ų | 145 | 72.7 Ų | 72.7 | 71% | 0.714 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.1 | -33.9 | 177.7 | -69.7 | 177.5 | 68.4 | 0 | 0 | 112.8 | I110 W111 | I110-M114 HydrophobicContact CG2-SD 4.05Å; I110-M114 WeakPolarHBondContact O-CG 3.37Å; I110-M114 PolarHBondContact O-N 2.78Å; W111-M114 PolarHBondContact O-N 3.49Å |
| 115 | N | 91.3 | Very high | 89.4 | Confident | 54 Ų | 54 | 72.2 Ų | 72.2 | 29% | 0.289 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 36 | -174.3 | -62 | -86.6 | 0 | 0 | 0 | 112.6 | W111 G112 F113 D117 T118 M119 | W111-N115 HydrophobicContact CZ2-CB 4.45Å; W111-N115 PolarHBondContact NE1-ND2 2.81Å; W111-N115 WeakPolarHBondContact O-CB 3.49Å; W111-N115 PolarHBondContact O-N 2.94Å; W111-N115 PolarHBondContact O-ND2 3.33Å; G112-N115 CarbonylContact O-C 3.01Å; F113-N115 VanDerWaalsContact C-N 3.33Å; F113-N115 PolarHBondContact O-N 3.49Å; N115-D117 PolarHBondContact O-N 3.36Å; N115-D117 VanDerWaalsContact O-N 3.16Å; N115-T118 WeakPolarHBondContact O-CB 3.32Å; N115-T118 PolarHBondContact O-N 3.45Å; N115-M119 PolarHBondContact O-N 3.02Å |
| 116 | R | 87.9 | Confident | 88.8 | Confident | 108 Ų | 108 | 72.2 Ų | 72.2 | 41% | 0.408 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -54.6 | -36.1 | -176.1 | 69.4 | -172 | -176.4 | -155.1 | 0.6 | 113.7 | G112 M119 S120 | G112-R116 VanDerWaalsContact O-CA 3.29Å; G112-R116 WeakPolarHBondContact O-CA 3.42Å; G112-R116 PolarHBondContact O-N 3.04Å; R116-M119 PolarHBondContact O-N 3.28Å; R116-S120 PolarHBondContact O-N 3.28Å |
| 117 | D | 88.3 | Confident | 88.3 | Confident | 95 Ų | 95 | 69 Ų | 69 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 179.7 | -58.8 | -36.5 | 0 | 0 | 0 | 111 | N115 S120 K121 | N115-D117 PolarHBondContact O-N 3.36Å; N115-D117 VanDerWaalsContact O-N 3.16Å; D117-S120 PolarHBondContact O-N 3.41Å; D117-S120 PolarHBondContact O-OG 3.35Å; D117-K121 WeakPolarHBondContact O-CG 3.2Å; D117-K121 PolarHBondContact O-N 3Å |
| 118 | T | 87.9 | Confident | 87.6 | Confident | 64 Ų | 64 | 67.3 Ų | 67.3 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 174.2 | -52 | 0 | 0 | 0 | 0 | 110.9 | N115 S120 K121 E122 | N115-T118 WeakPolarHBondContact O-CB 3.32Å; N115-T118 PolarHBondContact O-N 3.45Å; T118-S120 VanDerWaalsContact C-N 3.33Å; T118-S120 PolarHBondContact O-N 3.11Å; T118-K121 PolarHBondContact O-N 2.78Å; T118-E122 PolarHBondContact O-N 2.97Å; T118-E122 VanDerWaalsContact O-N 3.07Å |
| 119 | M | 85.3 | Confident | 86.7 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 23% | 0.232 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 176.5 | -65.6 | -60.5 | 93.5 | 0 | 0 | 112.4 | W111 N115 R116 K121 E122 L123 F198 | W111-M119 HydrophobicContact CE3-CE 4.07Å; W111-M119 HydrophobicContact CE3-SD 4.24Å; W111-M119 HydrophobicContact CH2-CE 3.15Å; W111-M119 HydrophobicContact CH2-SD 4.3Å; W111-M119 HydrophobicContact CZ2-CE 4.32Å; W111-M119 HydrophobicContact CZ3-CE 3Å; W111-M119 HydrophobicContact CZ3-SD 3.55Å; W111-M119 VanDerWaalsContact CZ3-SD 3.55Å; N115-M119 PolarHBondContact O-N 3.02Å; R116-M119 PolarHBondContact O-N 3.28Å; M119-K121 VanDerWaalsContact C-N 3.34Å; M119-K121 PolarHBondContact O-N 3.35Å; M119-E122 PolarHBondContact O-N 3.17Å; M119-L123 PolarHBondContact O-N 2.94Å; M119-F198 HydrophobicContact CB-CE1 4.04Å; M119-F198 HydrophobicContact CB-CZ 4.33Å |
| 120 | S | 87.3 | Confident | 86.1 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 177.2 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | R116 D117 T118 L123 I124 | R116-S120 PolarHBondContact O-N 3.28Å; D117-S120 PolarHBondContact O-N 3.41Å; D117-S120 PolarHBondContact O-OG 3.35Å; T118-S120 VanDerWaalsContact C-N 3.33Å; T118-S120 PolarHBondContact O-N 3.11Å; S120-L123 PolarHBondContact O-N 3.31Å; S120-I124 WeakPolarHBondContact O-CB 3.44Å; S120-I124 WeakPolarHBondContact O-CD1 3.48Å; S120-I124 VanDerWaalsContact O-CG1 3.25Å; S120-I124 WeakPolarHBondContact O-CG1 3.14Å; S120-I124 PolarHBondContact O-N 3.19Å |
| 121 | K | 86.4 | Confident | 85.4 | Confident | 134 Ų | 134 | 59.2 Ų | 59.2 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.4 | -43.5 | 178.4 | -71 | 175.2 | -176.4 | 175.3 | 0 | 112.1 | D117 T118 M119 L123 I124 N125 | D117-K121 WeakPolarHBondContact O-CG 3.2Å; D117-K121 PolarHBondContact O-N 3Å; T118-K121 PolarHBondContact O-N 2.78Å; M119-K121 VanDerWaalsContact C-N 3.34Å; M119-K121 PolarHBondContact O-N 3.35Å; K121-L123 VanDerWaalsContact C-N 3.35Å; K121-I124 PolarHBondContact O-N 3.4Å; K121-N125 PolarHBondContact O-N 2.03Å; K121-N125 PolarHBondContact O-ND2 2.84Å |
| 122 | E | 83.1 | Confident | 84.6 | Confident | 67 Ų | 67 | 55.7 Ų | 55.7 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 176.6 | -70.5 | -59.3 | 153 | 0 | 0 | 111.7 | T57 T118 M119 I124 N125 F126 | T57-E122 VanDerWaalsContact CG2-OE2 3.25Å; T57-E122 WeakPolarHBondContact CG2-OE2 3.48Å; T118-E122 PolarHBondContact O-N 2.97Å; T118-E122 VanDerWaalsContact O-N 3.07Å; M119-E122 PolarHBondContact O-N 3.17Å; E122-I124 VanDerWaalsContact C-N 3.33Å; E122-I124 PolarHBondContact O-N 3.28Å; E122-N125 PolarHBondContact O-N 3.4Å; E122-F126 PolarHBondContact O-N 3.16Å |
| 123 | L | 85.4 | Confident | 83.7 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.7 | -36 | 177.1 | -168.7 | 59.3 | 0 | 0 | 0 | 112.2 | M119 S120 K121 F126 Y127 F153 L194 F198 | M119-L123 PolarHBondContact O-N 2.94Å; S120-L123 PolarHBondContact O-N 3.31Å; K121-L123 VanDerWaalsContact C-N 3.35Å; L123-F126 HydrophobicContact CD1-CD1 4.33Å; L123-F126 WeakPolarHBondContact O-CB 3.03Å; L123-F126 PolarHBondContact O-N 3.44Å; L123-Y127 PolarHBondContact O-N 3.15Å; L123-F153 HydrophobicContact CD1-CE1 4.3Å; L123-F153 HydrophobicContact CD1-CZ 4.25Å; L123-L194 HydrophobicContact CD2-CD2 3.55Å; L123-L194 HydrophobicContact CG-CD2 3.88Å; L123-F198 HydrophobicContact CB-CE2 4.26Å; L123-F198 HydrophobicContact CD2-CE2 3.65Å; L123-F198 HydrophobicContact CD2-CZ 3.94Å |
| 124 | I | 86.1 | Confident | 83 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 172.9 | -74.9 | 166 | 0 | 0 | 0 | 111.3 | S120 K121 E122 F126 Y127 D128 H191 L194 V195 | S120-I124 WeakPolarHBondContact O-CB 3.44Å; S120-I124 WeakPolarHBondContact O-CD1 3.48Å; S120-I124 VanDerWaalsContact O-CG1 3.25Å; S120-I124 WeakPolarHBondContact O-CG1 3.14Å; S120-I124 PolarHBondContact O-N 3.19Å; K121-I124 PolarHBondContact O-N 3.4Å; E122-I124 VanDerWaalsContact C-N 3.33Å; E122-I124 PolarHBondContact O-N 3.28Å; I124-F126 VanDerWaalsContact C-N 3.27Å; I124-F126 PolarHBondContact O-N 3.18Å; I124-Y127 WeakPolarHBondContact O-CB 3.49Å; I124-Y127 PolarHBondContact O-N 3.22Å; I124-D128 PolarHBondContact O-N 2.96Å; I124-H191 WeakPolarHBondContact CG2-CD2 3.31Å; I124-H191 WeakPolarHBondContact CG2-NE2 3.17Å; I124-L194 HydrophobicContact CG1-CB 4.08Å; I124-L194 HydrophobicContact CG1-CD1 3.94Å; I124-V195 HydrophobicContact CD1-CG2 3.72Å |
| 125 | N | 82.5 | Confident | 82.1 | Confident | 62 Ų | 62 | 42.9 Ų | 42.9 | 33% | 0.332 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 176.7 | -69.6 | -23.4 | 0 | 0 | 0 | 111.5 | K121 E122 D128 A129 | K121-N125 PolarHBondContact O-N 2.03Å; K121-N125 PolarHBondContact O-ND2 2.84Å; E122-N125 PolarHBondContact O-N 3.4Å; N125-D128 PolarHBondContact O-N 2.86Å; N125-A129 PolarHBondContact O-N 2.91Å; N125-A129 VanDerWaalsContact O-N 3.12Å |
| 126 | F | 80.6 | Confident | 81.1 | Confident | 33 Ų | 33 | 41.8 Ų | 41.8 | 15% | 0.145 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 174.4 | 176.2 | -104.1 | 0 | 0 | 0 | 111.9 | E122 L123 I124 D128 A129 A130 V149 F153 | E122-F126 PolarHBondContact O-N 3.16Å; L123-F126 HydrophobicContact CD1-CD1 4.33Å; L123-F126 WeakPolarHBondContact O-CB 3.03Å; L123-F126 PolarHBondContact O-N 3.44Å; I124-F126 VanDerWaalsContact C-N 3.27Å; I124-F126 PolarHBondContact O-N 3.18Å; F126-D128 PolarHBondContact O-N 3.39Å; F126-A129 PolarHBondContact O-N 3.42Å; F126-A130 PolarHBondContact O-N 3.33Å; F126-V149 HydrophobicContact CE1-CG1 4.46Å; F126-F153 HydrophobicContact CD1-CE2 4.38Å; F126-F153 HydrophobicContact CD1-CZ 4.11Å; F126-F153 AromaticContact CE1-CE2 3.96Å; F126-F153 HydrophobicContact CE1-CE2 3.96Å; F126-F153 HydrophobicContact CE1-CZ 4.03Å |
| 127 | Y | 83.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 176.6 | 174.5 | -93.7 | 0 | 0 | 0 | 111.7 | L123 I124 A129 A130 Y131 L150 F153 H154 G161 C190 H191 L194 | L123-Y127 PolarHBondContact O-N 3.15Å; I124-Y127 WeakPolarHBondContact O-CB 3.49Å; I124-Y127 PolarHBondContact O-N 3.22Å; Y127-A129 VanDerWaalsContact C-N 3.32Å; Y127-A129 PolarHBondContact O-N 2.91Å; Y127-A130 PolarHBondContact O-N 3.44Å; Y127-Y131 VanDerWaalsContact O-CB 3.28Å; Y127-Y131 WeakPolarHBondContact O-CB 3.34Å; Y127-Y131 PolarHBondContact O-N 3.28Å; Y127-L150 HydrophobicContact CD2-CD1 3.76Å; Y127-L150 HydrophobicContact CE2-CD1 3.25Å; Y127-L150 HydrophobicContact CE2-CG 4.21Å; Y127-F153 HydrophobicContact CD2-CB 4.27Å; Y127-F153 HydrophobicContact CD2-CD1 4.32Å; Y127-F153 HydrophobicContact CD2-CG 4.13Å; Y127-F153 HydrophobicContact CE2-CB 4.19Å; Y127-H154 PolarHBondContact OH-NE2 3.27Å; Y127-H154 VanDerWaalsContact OH-NE2 3.12Å; Y127-G161 WeakPolarHBondContact OH-CA 3.24Å; Y127-G161 PolarHBondContact OH-N 3.39Å; Y127-G161 VanDerWaalsContact OH-N 3.09Å; Y127-G161 PolarHBondContact OH-O 3.39Å; Y127-C190 HydrophobicContact CD1-CB 4.46Å; Y127-C190 HydrophobicContact CD2-CB 4.44Å; Y127-C190 HydrophobicContact CE1-CB 3.82Å; Y127-C190 HydrophobicContact CE2-CB 3.79Å; Y127-C190 VanDerWaalsContact CZ-CB 3.44Å; Y127-C190 WeakPolarHBondContact OH-CB 3.02Å; Y127-C190 PolarHBondContact OH-SG 3.4Å; Y127-H191 AromaticContact CD1-CE1 3.6Å; Y127-H191 AromaticContact CD1-ND1 3.97Å; Y127-H191 AromaticContact CE1-CE1 3.78Å; Y127-H191 AromaticContact CE1-ND1 3.94Å; Y127-L194 HydrophobicContact CG-CD1 4.25Å |
| 128 | D | 81.3 | Confident | 78.2 | Confident | 24 Ų | 24 | 40.5 Ų | 40.5 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 178.1 | -87.7 | -20.8 | 0 | 0 | 0 | 112.2 | I124 N125 F126 Y131 I132 K162 H191 | I124-D128 PolarHBondContact O-N 2.96Å; N125-D128 PolarHBondContact O-N 2.86Å; F126-D128 PolarHBondContact O-N 3.39Å; D128-Y131 PolarHBondContact O-N 2.89Å; D128-I132 WeakPolarHBondContact O-CD1 3.37Å; D128-I132 WeakPolarHBondContact O-CG1 3.36Å; D128-I132 PolarHBondContact O-N 2.93Å; D128-K162 VanDerWaalsContact CG-NZ 3.26Å; D128-K162 WeakPolarHBondContact OD1-CD 3.25Å; D128-K162 IonicContact OD1-NZ 2.75Å; D128-K162 PolarHBondContact OD1-NZ 2.94Å; D128-K162 VanDerWaalsContact OD1-NZ 3.17Å; D128-K162 IonicContact OD2-NZ 2.96Å; D128-K162 PolarHBondContact OD2-NZ 3.44Å; D128-H191 VanDerWaalsContact CG-NE2 3.3Å; D128-H191 IonicContact OD1-CE1 2.91Å; D128-H191 PolarHBondContact OD1-CE1 2.99Å; D128-H191 IonicContact OD1-NE2 3.15Å; D128-H191 PolarHBondContact OD1-NE2 2.7Å; D128-H191 IonicContact OD2-CE1 3.97Å; D128-H191 IonicContact OD2-NE2 2.89Å; D128-H191 PolarHBondContact OD2-NE2 3.47Å; D128-H191 VanDerWaalsContact OD2-NE2 3.15Å |
| 129 | A | 74.7 | Confident | 76.6 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.4 | -39 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F58 N125 F126 Y127 Y131 K133 | F58-A129 HydrophobicContact CB-CB 3.87Å; F58-A129 HydrophobicContact CD2-CB 3.07Å; F58-A129 HydrophobicContact CE2-CB 3.61Å; F58-A129 HydrophobicContact CG-CB 3.58Å; N125-A129 PolarHBondContact O-N 2.91Å; N125-A129 VanDerWaalsContact O-N 3.12Å; F126-A129 PolarHBondContact O-N 3.42Å; Y127-A129 VanDerWaalsContact C-N 3.32Å; Y127-A129 PolarHBondContact O-N 2.91Å; A129-Y131 VanDerWaalsContact C-N 3.34Å; A129-K133 PolarHBondContact O-N 3.33Å |
| 130 | A | 77.3 | Confident | 75.3 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F126 Y127 K133 A134 | F126-A130 PolarHBondContact O-N 3.33Å; Y127-A130 PolarHBondContact O-N 3.44Å; A130-K133 PolarHBondContact O-N 3.41Å; A130-A134 PolarHBondContact O-N 2.95Å |
| 131 | Y | 78.9 | Confident | 73.8 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -48.2 | 177.1 | 176.8 | -97.4 | 0 | 0 | 0 | 112 | Y127 D128 A129 K133 A134 V135 L150 F169 L176 | Y127-Y131 VanDerWaalsContact O-CB 3.28Å; Y127-Y131 WeakPolarHBondContact O-CB 3.34Å; Y127-Y131 PolarHBondContact O-N 3.28Å; D128-Y131 PolarHBondContact O-N 2.89Å; A129-Y131 VanDerWaalsContact C-N 3.34Å; Y131-K133 PolarHBondContact O-N 2.87Å; Y131-A134 PolarHBondContact O-N 3.36Å; Y131-A134 VanDerWaalsContact O-N 3.08Å; Y131-V135 HydrophobicContact CD1-CG2 4.33Å; Y131-V135 HydrophobicContact CD2-CG2 4.14Å; Y131-V135 HydrophobicContact CE1-CG2 4Å; Y131-V135 HydrophobicContact CE2-CG2 3.77Å; Y131-V135 HydrophobicContact CG-CG2 4.4Å; Y131-V135 WeakPolarHBondContact O-CG2 3.24Å; Y131-V135 PolarHBondContact O-N 2.72Å; Y131-L150 HydrophobicContact CD2-CD1 4.46Å; Y131-L150 HydrophobicContact CD2-CD2 3.89Å; Y131-F169 AromaticContact CE2-CD2 3.95Å; Y131-F169 HydrophobicContact CE2-CD2 3.95Å; Y131-F169 AromaticContact CE2-CE2 3.99Å; Y131-F169 HydrophobicContact CE2-CE2 3.99Å; Y131-F169 AromaticContact CZ-CD2 3.87Å; Y131-F169 WeakPolarHBondContact OH-CB 3.31Å; Y131-F169 WeakPolarHBondContact OH-CD2 2.93Å; Y131-F169 VanDerWaalsContact OH-CG 3.32Å; Y131-F169 WeakPolarHBondContact OH-CG 3.27Å; Y131-L176 HydrophobicContact CD2-CD2 4.24Å; Y131-L176 HydrophobicContact CE2-CD2 4.07Å |
| 132 | I | 76.3 | Confident | 72.4 | Confident | 64 Ų | 64 | 36 Ų | 36 | 33% | 0.328 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.1 | -42.2 | 176 | -69.3 | 161.5 | 0 | 0 | 0 | 110.5 | Q48 D128 D136 | Q48-I132 VanDerWaalsContact NE2-CD1 3.31Å; D128-I132 WeakPolarHBondContact O-CD1 3.37Å; D128-I132 WeakPolarHBondContact O-CG1 3.36Å; D128-I132 PolarHBondContact O-N 2.93Å; I132-D136 PolarHBondContact O-N 3.43Å; I132-D136 VanDerWaalsContact O-N 3.15Å |
| 133 | K | 72.2 | Confident | 71.7 | Confident | 14 Ų | 14 | 35.1 Ų | 35.1 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.8 | -34.6 | 178.3 | -166.8 | 169.3 | -171.2 | 163.5 | 0 | 113.3 | L35 D38 T41 A129 A130 Y131 S142 A146 | L35-K133 HydrophobicContact CD2-CD 3.98Å; D38-K133 WeakPolarHBondContact OD2-CE 3.47Å; D38-K133 IonicContact OD2-NZ 3.17Å; D38-K133 PolarHBondContact OD2-NZ 3.09Å; T41-K133 HydrophobicContact CG2-CD 3.63Å; T41-K133 HydrophobicContact CG2-CG 4.34Å; T41-K133 PolarHBondContact OG1-NZ 3.45Å; A129-K133 PolarHBondContact O-N 3.33Å; A130-K133 PolarHBondContact O-N 3.41Å; Y131-K133 PolarHBondContact O-N 2.87Å; K133-S142 VanDerWaalsContact CE-CB 3.43Å; K133-S142 VanDerWaalsContact CE-OG 3.24Å; K133-S142 WeakPolarHBondContact CE-OG 3.33Å; K133-A146 HydrophobicContact CB-CB 4.18Å; K133-A146 HydrophobicContact CD-CB 4.49Å; K133-A146 HydrophobicContact CG-CB 4.14Å |
| 134 | A | 74.4 | Confident | 71 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.2 | -33.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | A130 Y131 K143 A146 I147 L150 L176 | A130-A134 PolarHBondContact O-N 2.95Å; Y131-A134 PolarHBondContact O-N 3.36Å; Y131-A134 VanDerWaalsContact O-N 3.08Å; A134-K143 WeakPolarHBondContact O-CE 3.22Å; A134-A146 HydrophobicContact CB-CB 3.99Å; A134-I147 HydrophobicContact CB-CG1 4.06Å; A134-L150 HydrophobicContact CB-CD2 4.31Å; A134-L176 HydrophobicContact CB-CD2 4.31Å |
| 135 | V | 73.8 | Confident | 70 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -84.5 | -16.1 | -178.7 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | Y131 V137 L168 V172 L176 | Y131-V135 HydrophobicContact CD1-CG2 4.33Å; Y131-V135 HydrophobicContact CD2-CG2 4.14Å; Y131-V135 HydrophobicContact CE1-CG2 4Å; Y131-V135 HydrophobicContact CE2-CG2 3.77Å; Y131-V135 HydrophobicContact CG-CG2 4.4Å; Y131-V135 WeakPolarHBondContact O-CG2 3.24Å; Y131-V135 PolarHBondContact O-N 2.72Å; V135-V137 PolarHBondContact O-N 2.94Å; V135-L168 HydrophobicContact CG1-CD2 3.41Å; V135-L168 VanDerWaalsContact CG1-CD2 3.41Å; V135-L168 HydrophobicContact CG1-CG 3.67Å; V135-V172 HydrophobicContact CG1-CG2 4.26Å; V135-L176 HydrophobicContact CG2-CD2 3.72Å |
| 136 | D | 70.2 | Confident | 69.6 | Low | 31 Ų | 31 | 35.8 Ų | 35.8 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | trans | -56.2 | 131.8 | 176.7 | -174.6 | 36.3 | 0 | 0 | 0 | 112.4 | L44 I132 T138 | L44-D136 HydrophobicContact CD1-CB 4.22Å; L44-D136 VanDerWaalsContact CD1-CG 3.42Å; L44-D136 WeakPolarHBondContact CD1-OD2 3.32Å; I132-D136 PolarHBondContact O-N 3.43Å; I132-D136 VanDerWaalsContact O-N 3.15Å; D136-T138 VanDerWaalsContact C-N 3.29Å; D136-T138 PolarHBondContact O-N 3.04Å; D136-T138 PolarHBondContact OD1-OG1 3.41Å; D136-T138 WeakPolarHBondContact OD2-CB 3.19Å; D136-T138 PolarHBondContact OD2-OG1 3.3Å | ||
| 137 | V | 57.5 | Low | 69.4 | Low | 104 Ų | 104 | 35.7 Ų | 35.7 | 63% | 0.63 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -82 | -12.1 | -171.4 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | V135 G139 L168 | V135-V137 PolarHBondContact O-N 2.94Å; V137-G139 PolarHBondContact O-N 3.04Å; V137-L168 HydrophobicContact CG2-CD1 3.94Å |
| 138 | T | 57.6 | Low | 69.1 | Low | 72 Ų | 72 | 37.9 Ų | 37.9 | 44% | 0.442 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -73.7 | 16 | -169.1 | -16.4 | 0 | 0 | 0 | 0 | 116.7 | K40 D136 S140 | K40-T138 HydrophobicContact CD-CG2 4.36Å; K40-T138 VanDerWaalsContact NZ-CG2 3.29Å; K40-T138 PolarHBondContact NZ-O 3.16Å; D136-T138 VanDerWaalsContact C-N 3.29Å; D136-T138 PolarHBondContact O-N 3.04Å; D136-T138 PolarHBondContact OD1-OG1 3.41Å; D136-T138 WeakPolarHBondContact OD2-CB 3.19Å; D136-T138 PolarHBondContact OD2-OG1 3.3Å; T138-S140 VanDerWaalsContact C-N 3.27Å; T138-S140 PolarHBondContact O-N 2.9Å; T138-S140 VanDerWaalsContact O-N 3.12Å |
| 139 | G | 54 | Low | 68.9 | Low | 62 Ų | 62 | 38.6 Ų | 38.6 | 64% | 0.639 | 25% | 0.249 | S | C | * | . | trans | 53.4 | 38 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V137 | V137-G139 PolarHBondContact O-N 3.04Š| ||
| 140 | S | 58 | Low | 69.2 | Low | 11 Ų | 11 | 37.9 Ų | 37.9 | 8% | 0.077 | 24% | 0.242 | C | C | . | . | trans | -79.6 | 149.4 | 178.2 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | T138 S142 K143 | T138-S140 VanDerWaalsContact C-N 3.27Å; T138-S140 PolarHBondContact O-N 2.9Å; T138-S140 VanDerWaalsContact O-N 3.12Å; S140-S142 WeakPolarHBondContact CB-OG 3.33Å; S140-S142 PolarHBondContact O-N 3.04Å; S140-S142 PolarHBondContact OG-OG 2.02Å; S140-K143 WeakPolarHBondContact O-CB 3.49Å; S140-K143 PolarHBondContact O-N 3.33Å | ||
| 141 | P | 57 | Low | 69.5 | Low | 88 Ų | 88 | 38.4 Ų | 38.4 | 57% | 0.571 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -5.2 | 172.7 | 26.7 | -33.8 | 0 | 0 | 0 | 113 | W34 | W34-P141 HydrophobicContact CH2-CB 4.01Å; W34-P141 HydrophobicContact CH2-CG 3.81Å; W34-P141 HydrophobicContact CZ2-CB 3.6Å; W34-P141 HydrophobicContact CZ2-CG 3.58Å |
| 142 | S | 56.7 | Low | 69.6 | Low | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -87.6 | -11.1 | 173.4 | 65.4 | 0 | 0 | 0 | 0 | 114.7 | W34 D38 K133 S140 A146 | W34-S142 VanDerWaalsContact NE1-CA 3.3Å; D38-S142 WeakPolarHBondContact OD2-CB 3.32Å; D38-S142 PolarHBondContact OD2-OG 3.19Å; K133-S142 VanDerWaalsContact CE-CB 3.43Å; K133-S142 VanDerWaalsContact CE-OG 3.24Å; K133-S142 WeakPolarHBondContact CE-OG 3.33Å; S140-S142 WeakPolarHBondContact CB-OG 3.33Å; S140-S142 PolarHBondContact O-N 3.04Å; S140-S142 PolarHBondContact OG-OG 2.02Å; S142-A146 WeakPolarHBondContact O-CB 3.35Å; S142-A146 PolarHBondContact O-N 2.82Å; S142-A146 VanDerWaalsContact O-N 3.11Å |
| 143 | K | 67.4 | Low | 70.2 | Confident | 48 Ų | 48 | 39.1 Ų | 39.1 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 172.5 | -177.5 | 174.8 | 177.3 | 169.1 | 0 | 111.1 | A134 S140 A145 A146 I147 | A134-K143 WeakPolarHBondContact O-CE 3.22Å; S140-K143 WeakPolarHBondContact O-CB 3.49Å; S140-K143 PolarHBondContact O-N 3.33Å; K143-A145 VanDerWaalsContact C-N 3.35Å; K143-A145 PolarHBondContact O-N 3.32Å; K143-A146 PolarHBondContact O-N 3.45Å; K143-I147 HydrophobicContact CD-CD1 4.37Å; K143-I147 HydrophobicContact CG-CD1 3.69Å; K143-I147 HydrophobicContact CG-CG1 4.31Å; K143-I147 WeakPolarHBondContact O-CB 3.41Å; K143-I147 VanDerWaalsContact O-CG1 3.24Å; K143-I147 WeakPolarHBondContact O-CG1 3.1Å; K143-I147 PolarHBondContact O-N 2.76Å |
| 144 | D | 70.5 | Confident | 70.9 | Confident | 118 Ų | 118 | 38.4 Ų | 38.4 | 63% | 0.631 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65 | -39 | -177.4 | -61.1 | -33.2 | 0 | 0 | 0 | 112.2 | I147 G148 | D144-I147 PolarHBondContact O-N 3.42Å; D144-G148 PolarHBondContact O-N 3.25Å |
| 145 | A | 66.3 | Low | 71.3 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | K143 G148 V149 | K143-A145 VanDerWaalsContact C-N 3.35Å; K143-A145 PolarHBondContact O-N 3.32Å; A145-G148 PolarHBondContact O-N 2.87Å; A145-V149 WeakPolarHBondContact O-CG2 3.36Å; A145-V149 PolarHBondContact O-N 2.98Å |
| 146 | A | 72.8 | Confident | 71.9 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K133 A134 S142 K143 G148 V149 L150 | K133-A146 HydrophobicContact CB-CB 4.18Å; K133-A146 HydrophobicContact CD-CB 4.49Å; K133-A146 HydrophobicContact CG-CB 4.14Å; A134-A146 HydrophobicContact CB-CB 3.99Å; S142-A146 WeakPolarHBondContact O-CB 3.35Å; S142-A146 PolarHBondContact O-N 2.82Å; S142-A146 VanDerWaalsContact O-N 3.11Å; K143-A146 PolarHBondContact O-N 3.45Å; A146-G148 VanDerWaalsContact C-N 3.32Å; A146-G148 PolarHBondContact O-N 3.36Å; A146-V149 PolarHBondContact O-N 3.35Å; A146-L150 VanDerWaalsContact O-CB 3.29Å; A146-L150 WeakPolarHBondContact O-CB 3.41Å; A146-L150 PolarHBondContact O-N 3.48Å |
| 147 | I | 77.3 | Confident | 72.6 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 16% | 0.159 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 172.1 | -69.4 | 169.8 | 0 | 0 | 0 | 110.5 | A134 K143 D144 L150 G151 T175 L176 | A134-I147 HydrophobicContact CB-CG1 4.06Å; K143-I147 HydrophobicContact CD-CD1 4.37Å; K143-I147 HydrophobicContact CG-CD1 3.69Å; K143-I147 HydrophobicContact CG-CG1 4.31Å; K143-I147 WeakPolarHBondContact O-CB 3.41Å; K143-I147 VanDerWaalsContact O-CG1 3.24Å; K143-I147 WeakPolarHBondContact O-CG1 3.1Å; K143-I147 PolarHBondContact O-N 2.76Å; D144-I147 PolarHBondContact O-N 3.42Å; I147-L150 PolarHBondContact O-N 3.49Å; I147-G151 PolarHBondContact O-N 2.92Å; I147-T175 HydrophobicContact CD1-CG2 4.35Å; I147-L176 HydrophobicContact CD1-CD1 4.37Å; I147-L176 HydrophobicContact CG1-CD1 4.1Å |
| 148 | G | 77 | Confident | 74 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D144 A145 A146 G151 A152 | D144-G148 PolarHBondContact O-N 3.25Å; A145-G148 PolarHBondContact O-N 2.87Å; A146-G148 VanDerWaalsContact C-N 3.32Å; A146-G148 PolarHBondContact O-N 3.36Å; G148-G151 PolarHBondContact O-N 3.24Å; G148-A152 PolarHBondContact O-N 3.28Å |
| 149 | V | 77.8 | Confident | 75.4 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | F126 A145 A146 G151 A152 F153 | F126-V149 HydrophobicContact CE1-CG1 4.46Å; A145-V149 WeakPolarHBondContact O-CG2 3.36Å; A145-V149 PolarHBondContact O-N 2.98Å; A146-V149 PolarHBondContact O-N 3.35Å; V149-G151 VanDerWaalsContact C-N 3.33Å; V149-G151 PolarHBondContact O-N 3.09Å; V149-A152 WeakPolarHBondContact O-CB 3.08Å; V149-A152 PolarHBondContact O-N 3.12Å; V149-A152 VanDerWaalsContact O-N 3.16Å; V149-F153 HydrophobicContact CG1-CD2 4.11Å; V149-F153 HydrophobicContact CG1-CE2 3.88Å; V149-F153 WeakPolarHBondContact O-CD2 3.49Å; V149-F153 PolarHBondContact O-N 2.89Å |
| 150 | L | 80.8 | Confident | 77 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | -177.9 | -157.6 | 78.5 | 0 | 0 | 0 | 112.1 | Y127 Y131 A134 A146 I147 A152 F153 H154 L176 | Y127-L150 HydrophobicContact CD2-CD1 3.76Å; Y127-L150 HydrophobicContact CE2-CD1 3.25Å; Y127-L150 HydrophobicContact CE2-CG 4.21Å; Y131-L150 HydrophobicContact CD2-CD1 4.46Å; Y131-L150 HydrophobicContact CD2-CD2 3.89Å; A134-L150 HydrophobicContact CB-CD2 4.31Å; A146-L150 VanDerWaalsContact O-CB 3.29Å; A146-L150 WeakPolarHBondContact O-CB 3.41Å; A146-L150 PolarHBondContact O-N 3.48Å; I147-L150 PolarHBondContact O-N 3.49Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.47Å; L150-F153 WeakPolarHBondContact O-CB 3.46Å; L150-F153 PolarHBondContact O-N 3.35Å; L150-F153 VanDerWaalsContact O-N 3.15Å; L150-H154 WeakPolarHBondContact CD2-CE1 3.21Å; L150-H154 VanDerWaalsContact CG-CE1 3.46Å; L150-H154 WeakPolarHBondContact CG-CE1 3.47Å; L150-H154 WeakPolarHBondContact CG-NE2 3.34Å; L150-H154 WeakPolarHBondContact O-CB 3.46Å; L150-H154 PolarHBondContact O-CD2 3.47Å; L150-H154 PolarHBondContact O-N 2.94Å; L150-L176 HydrophobicContact CD2-CB 4.47Å; L150-L176 HydrophobicContact CD2-CD2 3.37Å; L150-L176 HydrophobicContact CD2-CG 3.8Å |
| 151 | G | 82.6 | Confident | 78.2 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 22% | 0.216 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -36.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I147 G148 V149 T155 | I147-G151 PolarHBondContact O-N 2.92Å; G148-G151 PolarHBondContact O-N 3.24Å; V149-G151 VanDerWaalsContact C-N 3.33Å; V149-G151 PolarHBondContact O-N 3.09Å; G151-T155 WeakPolarHBondContact O-CB 3.46Å; G151-T155 PolarHBondContact O-N 2.89Å; G151-T155 PolarHBondContact O-OG1 2.88Å |
| 152 | A | 82.5 | Confident | 79.2 | Confident | 55 Ų | 55 | 40.8 Ų | 40.8 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G148 V149 L150 T156 | G148-A152 PolarHBondContact O-N 3.28Å; V149-A152 WeakPolarHBondContact O-CB 3.08Å; V149-A152 PolarHBondContact O-N 3.12Å; V149-A152 VanDerWaalsContact O-N 3.16Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.47Å; A152-T156 WeakPolarHBondContact O-CB 3.3Å; A152-T156 PolarHBondContact O-N 3.26Å; A152-T156 PolarHBondContact O-OG1 3.42Å |
| 153 | F | 86.9 | Confident | 79.9 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 17% | 0.171 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 173.5 | -81.6 | -85.6 | 0 | 0 | 0 | 111.7 | L123 F126 Y127 V149 L150 T155 T156 L157 L194 | L123-F153 HydrophobicContact CD1-CE1 4.3Å; L123-F153 HydrophobicContact CD1-CZ 4.25Å; F126-F153 HydrophobicContact CD1-CE2 4.38Å; F126-F153 HydrophobicContact CD1-CZ 4.11Å; F126-F153 AromaticContact CE1-CE2 3.96Å; F126-F153 HydrophobicContact CE1-CE2 3.96Å; F126-F153 HydrophobicContact CE1-CZ 4.03Å; Y127-F153 HydrophobicContact CD2-CB 4.27Å; Y127-F153 HydrophobicContact CD2-CD1 4.32Å; Y127-F153 HydrophobicContact CD2-CG 4.13Å; Y127-F153 HydrophobicContact CE2-CB 4.19Å; V149-F153 HydrophobicContact CG1-CD2 4.11Å; V149-F153 HydrophobicContact CG1-CE2 3.88Å; V149-F153 WeakPolarHBondContact O-CD2 3.49Å; V149-F153 PolarHBondContact O-N 2.89Å; L150-F153 WeakPolarHBondContact O-CB 3.46Å; L150-F153 PolarHBondContact O-N 3.35Å; L150-F153 VanDerWaalsContact O-N 3.15Å; F153-T155 VanDerWaalsContact C-N 3.31Å; F153-T155 PolarHBondContact O-N 3.49Å; F153-T156 PolarHBondContact O-N 3.33Å; F153-L157 HydrophobicContact CD1-CD1 4.07Å; F153-L157 WeakPolarHBondContact O-CB 3.4Å; F153-L157 PolarHBondContact O-N 3.41Å; F153-L194 HydrophobicContact CD1-CD2 4.41Å; F153-L194 HydrophobicContact CE1-CD2 4.25Å |
| 154 | H | 87.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.2 | -42.5 | -177.5 | -66.5 | 169.4 | 0 | 0 | 0 | 112.5 | Y127 L150 N158 C159 C160 G161 L176 P178 I181 C190 | Y127-H154 PolarHBondContact OH-NE2 3.27Å; Y127-H154 VanDerWaalsContact OH-NE2 3.12Å; L150-H154 WeakPolarHBondContact CD2-CE1 3.21Å; L150-H154 VanDerWaalsContact CG-CE1 3.46Å; L150-H154 WeakPolarHBondContact CG-CE1 3.47Å; L150-H154 WeakPolarHBondContact CG-NE2 3.34Å; L150-H154 WeakPolarHBondContact O-CB 3.46Å; L150-H154 PolarHBondContact O-CD2 3.47Å; L150-H154 PolarHBondContact O-N 2.94Å; H154-N158 VanDerWaalsContact O-CA 3.24Å; H154-N158 WeakPolarHBondContact O-CA 3.44Å; H154-N158 PolarHBondContact O-N 2.85Å; H154-C159 WeakPolarHBondContact CA-O 3.5Å; H154-C159 WeakPolarHBondContact CB-O 3.31Å; H154-C159 PolarHBondContact CD2-O 3.21Å; H154-C159 PolarHBondContact O-N 3.09Å; H154-C160 PolarHBondContact CE1-SG 2.88Å; H154-G161 PolarHBondContact NE2-N 3.44Å; H154-L176 PolarHBondContact CE1-O 3.49Å; H154-L176 PolarHBondContact ND1-O 2.95Å; H154-P178 HydrophobicContact CB-CG 3.85Å; H154-I181 WeakPolarHBondContact O-CD1 3.33Å; H154-C190 VanDerWaalsContact CD2-SG 3.54Å |
| 155 | T | 84.6 | Confident | 79.5 | Confident | 87 Ų | 87 | 42.3 Ų | 42.3 | 53% | 0.534 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -74.8 | -40.9 | 180 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | G151 F153 | G151-T155 WeakPolarHBondContact O-CB 3.46Å; G151-T155 PolarHBondContact O-N 2.89Å; G151-T155 PolarHBondContact O-OG1 2.88Å; F153-T155 VanDerWaalsContact C-N 3.31Å; F153-T155 PolarHBondContact O-N 3.49Å |
| 156 | T | 85.3 | Confident | 79.7 | Confident | 110 Ų | 110 | 43.8 Ų | 43.8 | 68% | 0.675 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -71.8 | -37.2 | -176.7 | -54 | 0 | 0 | 0 | 0 | 111.9 | A152 F153 | A152-T156 WeakPolarHBondContact O-CB 3.3Å; A152-T156 PolarHBondContact O-N 3.26Å; A152-T156 PolarHBondContact O-OG1 3.42Å; F153-T156 PolarHBondContact O-N 3.33Å |
| 157 | L | 85.7 | Confident | 79.5 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.141 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -100.9 | -0.4 | -176.6 | -56.5 | -177.8 | 0 | 0 | 0 | 113.5 | F153 C159 E193 L194 L197 | F153-L157 HydrophobicContact CD1-CD1 4.07Å; F153-L157 WeakPolarHBondContact O-CB 3.4Å; F153-L157 PolarHBondContact O-N 3.41Å; L157-C159 HydrophobicContact CB-CB 4.46Å; L157-C159 VanDerWaalsContact CB-SG 3.58Å; L157-C159 PolarHBondContact O-N 2.69Å; L157-E193 HydrophobicContact CB-CB 4.41Å; L157-L194 HydrophobicContact CD1-CD2 3.55Å; L157-L194 HydrophobicContact CD1-CG 3.85Å; L157-L197 HydrophobicContact CD2-CD1 3.43Å; L157-L197 VanDerWaalsContact CD2-CD1 3.43Å; L157-L197 HydrophobicContact CD2-CG 4.42Å |
| 158 | N | 85.6 | Confident | 79.2 | Confident | 114 Ų | 114 | 51 Ų | 51 | 61% | 0.61 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 46.1 | -174.8 | -70.5 | -54.6 | 0 | 0 | 0 | 112.9 | H154 | H154-N158 VanDerWaalsContact O-CA 3.24Å; H154-N158 WeakPolarHBondContact O-CA 3.44Å; H154-N158 PolarHBondContact O-N 2.85Å |
| 159 | C | 87.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -130.5 | 165.8 | -178.7 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | H154 L157 I181 K188 C190 E193 | H154-C159 WeakPolarHBondContact CA-O 3.5Å; H154-C159 WeakPolarHBondContact CB-O 3.31Å; H154-C159 PolarHBondContact CD2-O 3.21Å; H154-C159 PolarHBondContact O-N 3.09Å; L157-C159 HydrophobicContact CB-CB 4.46Å; L157-C159 VanDerWaalsContact CB-SG 3.58Å; L157-C159 PolarHBondContact O-N 2.69Å; C159-I181 WeakPolarHBondContact O-CD1 3.32Å; C159-K188 WeakPolarHBondContact CA-O 3.14Å; C159-K188 WeakPolarHBondContact CB-O 3.26Å; C159-C190 HydrophobicContact CB-CB 3.91Å; C159-C190 WeakPolarHBondContact CB-SG 3.44Å; C159-C190 WeakPolarHBondContact SG-CA 3.5Å; C159-C190 WeakPolarHBondContact SG-CB 3.22Å; C159-C190 CovalentContact SG-SG 2.03Å; C159-C190 PolarHBondContact SG-SG 3.35Å; C159-E193 HydrophobicContact CB-CB 4.36Å; C159-E193 HydrophobicContact CB-CG 4.12Å | ||
| 160 | C | 87.1 | Confident | 78.7 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | trans | -149.7 | 132.6 | 168.2 | -166.4 | 0 | 0 | 0 | 0 | 112.9 | H154 C177 I181 P187 K188 | H154-C160 PolarHBondContact CE1-SG 2.88Å; C160-C177 HydrophobicContact CB-CB 3.9Å; C160-C177 WeakPolarHBondContact CB-SG 3.46Å; C160-C177 WeakPolarHBondContact SG-CA 3.43Å; C160-C177 WeakPolarHBondContact SG-CB 3.22Å; C160-C177 CovalentContact SG-SG 2.02Å; C160-C177 PolarHBondContact SG-SG 3.37Å; C160-I181 HydrophobicContact CB-CG2 4.12Å; C160-P187 HydrophobicContact CB-CB 3.95Å; C160-P187 HydrophobicContact CB-CG 4.06Å; C160-K188 PolarHBondContact N-O 3.21Å | ||
| 161 | G | 83.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 72 | -172.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y127 H154 C190 | Y127-G161 WeakPolarHBondContact OH-CA 3.24Å; Y127-G161 PolarHBondContact OH-N 3.39Å; Y127-G161 VanDerWaalsContact OH-N 3.09Å; Y127-G161 PolarHBondContact OH-O 3.39Å; H154-G161 PolarHBondContact NE2-N 3.44Å; G161-C190 WeakPolarHBondContact O-CB 3.41Å; G161-C190 PolarHBondContact O-N 2.98Å; G161-C190 VanDerWaalsContact O-N 3.09Å |
| 162 | K | 79.4 | Confident | 77.9 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -93.2 | -9.3 | -178.4 | 164.8 | 174.6 | -160.4 | 155.7 | 0 | 112.9 | D128 D164 S189 H191 | D128-K162 VanDerWaalsContact CG-NZ 3.26Å; D128-K162 WeakPolarHBondContact OD1-CD 3.25Å; D128-K162 IonicContact OD1-NZ 2.75Å; D128-K162 PolarHBondContact OD1-NZ 2.94Å; D128-K162 VanDerWaalsContact OD1-NZ 3.17Å; D128-K162 IonicContact OD2-NZ 2.96Å; D128-K162 PolarHBondContact OD2-NZ 3.44Å; K162-D164 WeakPolarHBondContact CA-OD1 3.48Å; K162-D164 WeakPolarHBondContact CB-OD1 3.48Å; K162-D164 PolarHBondContact N-OD1 2.89Å; K162-S189 WeakPolarHBondContact O-CB 3.28Å; K162-S189 PolarHBondContact O-OG 2.83Å; K162-H191 WeakPolarHBondContact CG-CE1 3.46Å |
| 163 | G | 71.6 | Confident | 77.5 | Confident | 44 Ų | 44 | 57.1 Ų | 57.1 | 45% | 0.454 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 97.8 | 20.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 164 | D | 65.5 | Low | 76.9 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 27% | 0.267 | 34% | 0.338 | S | S | . | . | trans | -109.7 | 135.1 | -178.8 | 46.8 | -31.6 | 0 | 0 | 0 | 111.6 | K162 T166 F169 | K162-D164 WeakPolarHBondContact CA-OD1 3.48Å; K162-D164 WeakPolarHBondContact CB-OD1 3.48Å; K162-D164 PolarHBondContact N-OD1 2.89Å; D164-T166 PolarHBondContact O-N 3.42Å; D164-T166 PolarHBondContact OD2-OG1 2.99Å; D164-F169 WeakPolarHBondContact O-CD1 3.45Å | ||
| 165 | D | 64.6 | Low | 76.3 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | trans | -89.8 | 27.8 | -175.8 | -54.2 | -32.3 | 0 | 0 | 0 | 112.7 | M170 | D165-M170 HydrophobicContact CB-CE 4.4Š| ||
| 166 | T | 70.4 | Confident | 75.9 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | trans | -58.7 | 135.1 | -173.9 | -43.7 | 0 | 0 | 0 | 0 | 109.4 | D164 L168 F169 M170 | D164-T166 PolarHBondContact O-N 3.42Å; D164-T166 PolarHBondContact OD2-OG1 2.99Å; T166-L168 HydrophobicContact CG2-CB 4.27Å; T166-L168 PolarHBondContact O-N 3.46Å; T166-L168 VanDerWaalsContact O-N 3.08Å; T166-F169 WeakPolarHBondContact O-CA 3.25Å; T166-F169 WeakPolarHBondContact O-CB 3.41Å; T166-F169 PolarHBondContact O-N 3.32Å; T166-M170 PolarHBondContact O-N 3.39Å; T166-M170 VanDerWaalsContact O-N 3.13Å | ||
| 167 | P | 68.4 | Low | 75.7 | Confident | 107 Ų | 107 | 55.2 Ų | 55.2 | 70% | 0.695 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.4 | -29.8 | -178.5 | 20.5 | -33.1 | 0 | 0 | 0 | 112.6 | M170 Q171 | P167-M170 PolarHBondContact O-N 3.02Å; P167-Q171 PolarHBondContact O-N 3.38Å |
| 168 | L | 70.2 | Confident | 75.1 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 40% | 0.403 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 171.7 | -163.4 | 76.3 | 0 | 0 | 0 | 111.7 | V135 V137 T166 Q171 V172 | V135-L168 HydrophobicContact CG1-CD2 3.41Å; V135-L168 VanDerWaalsContact CG1-CD2 3.41Å; V135-L168 HydrophobicContact CG1-CG 3.67Å; V137-L168 HydrophobicContact CG2-CD1 3.94Å; T166-L168 HydrophobicContact CG2-CB 4.27Å; T166-L168 PolarHBondContact O-N 3.46Å; T166-L168 VanDerWaalsContact O-N 3.08Å; L168-Q171 PolarHBondContact O-N 2.97Å; L168-V172 WeakPolarHBondContact O-CG2 3.46Å; L168-V172 PolarHBondContact O-N 2.92Å |
| 169 | F | 74.1 | Confident | 74.2 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.013 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 177.1 | 177.7 | -123 | 0 | 0 | 0 | 111.6 | Y131 D164 T166 Q171 V172 R173 | Y131-F169 AromaticContact CE2-CD2 3.95Å; Y131-F169 HydrophobicContact CE2-CD2 3.95Å; Y131-F169 AromaticContact CE2-CE2 3.99Å; Y131-F169 HydrophobicContact CE2-CE2 3.99Å; Y131-F169 AromaticContact CZ-CD2 3.87Å; Y131-F169 WeakPolarHBondContact OH-CB 3.31Å; Y131-F169 WeakPolarHBondContact OH-CD2 2.93Å; Y131-F169 VanDerWaalsContact OH-CG 3.32Å; Y131-F169 WeakPolarHBondContact OH-CG 3.27Å; D164-F169 WeakPolarHBondContact O-CD1 3.45Å; T166-F169 WeakPolarHBondContact O-CA 3.25Å; T166-F169 WeakPolarHBondContact O-CB 3.41Å; T166-F169 PolarHBondContact O-N 3.32Å; F169-Q171 PolarHBondContact O-N 3.29Å; F169-V172 PolarHBondContact O-N 2.83Å; F169-V172 VanDerWaalsContact O-N 3.12Å; F169-R173 HydrophobicContact CZ-CG 4.46Å; F169-R173 WeakPolarHBondContact O-CA 3.24Å; F169-R173 VanDerWaalsContact O-CB 3.27Å; F169-R173 WeakPolarHBondContact O-CB 3.44Å; F169-R173 PolarHBondContact O-N 3.16Å |
| 170 | M | 70.9 | Confident | 73.1 | Confident | 92 Ų | 92 | 58.6 Ų | 58.6 | 45% | 0.453 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.3 | -34.5 | 177 | -70.8 | -71.1 | -176.8 | 0 | 0 | 112.6 | D165 T166 P167 R173 | D165-M170 HydrophobicContact CB-CE 4.4Å; T166-M170 PolarHBondContact O-N 3.39Å; T166-M170 VanDerWaalsContact O-N 3.13Å; P167-M170 PolarHBondContact O-N 3.02Å; M170-R173 VanDerWaalsContact CE-NH2 3.35Å; M170-R173 PolarHBondContact SD-NH1 3.41Å |
| 171 | Q | 71.1 | Confident | 71.9 | Confident | 150 Ų | 150 | 59.7 Ų | 59.7 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -73.4 | -34.9 | 178.6 | -170.4 | 175.5 | -6.3 | 0 | 0 | 113.2 | P167 L168 F169 | P167-Q171 PolarHBondContact O-N 3.38Å; L168-Q171 PolarHBondContact O-N 2.97Å; F169-Q171 PolarHBondContact O-N 3.29Å |
| 172 | V | 74.7 | Confident | 71 | Confident | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -99.4 | -4.9 | -178.3 | -144.2 | 0 | 0 | 0 | 0 | 113 | V135 L168 F169 S174 T175 L176 | V135-V172 HydrophobicContact CG1-CG2 4.26Å; L168-V172 WeakPolarHBondContact O-CG2 3.46Å; L168-V172 PolarHBondContact O-N 2.92Å; F169-V172 PolarHBondContact O-N 2.83Å; F169-V172 VanDerWaalsContact O-N 3.12Å; V172-S174 VanDerWaalsContact C-N 3.31Å; V172-S174 PolarHBondContact O-N 3.07Å; V172-T175 PolarHBondContact O-N 3.25Å; V172-L176 HydrophobicContact CB-CD1 3.96Å; V172-L176 HydrophobicContact CG1-CD1 3.34Å; V172-L176 PolarHBondContact O-N 3.47Å |
| 173 | R | 74.9 | Confident | 70 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 13% | 0.128 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -53.8 | -42.2 | -177 | -179.5 | 178.4 | -76.4 | -179.4 | -4.6 | 113.2 | F169 M170 T175 L176 C177 L182 | F169-R173 HydrophobicContact CZ-CG 4.46Å; F169-R173 WeakPolarHBondContact O-CA 3.24Å; F169-R173 VanDerWaalsContact O-CB 3.27Å; F169-R173 WeakPolarHBondContact O-CB 3.44Å; F169-R173 PolarHBondContact O-N 3.16Å; M170-R173 VanDerWaalsContact CE-NH2 3.35Å; M170-R173 PolarHBondContact SD-NH1 3.41Å; R173-T175 PolarHBondContact O-N 2.89Å; R173-L176 PolarHBondContact O-N 3.22Å; R173-C177 VanDerWaalsContact O-CB 3.31Å; R173-C177 WeakPolarHBondContact O-CB 3.29Å; R173-C177 PolarHBondContact O-N 3.46Å; R173-C177 PolarHBondContact O-SG 3.25Å; R173-L182 HydrophobicContact CG-CD1 4.03Å |
| 174 | S | 72.6 | Confident | 69.5 | Low | 90 Ų | 90 | 65.2 Ų | 65.2 | 63% | 0.629 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.9 | -23 | -179.4 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | V172 | V172-S174 VanDerWaalsContact C-N 3.31Å; V172-S174 PolarHBondContact O-N 3.07Å |
| 175 | T | 74.6 | Confident | 69.1 | Low | 88 Ų | 88 | 68.6 Ų | 68.6 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -93.1 | -32.7 | 177.9 | -45.5 | 0 | 0 | 0 | 0 | 112.1 | I147 V172 R173 | I147-T175 HydrophobicContact CD1-CG2 4.35Å; V172-T175 PolarHBondContact O-N 3.25Å; R173-T175 PolarHBondContact O-N 2.89Å |
| 176 | L | 76.7 | Confident | 69.1 | Low | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.026 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -86.1 | -37.2 | -178.2 | -96.7 | 71.3 | 0 | 0 | 0 | 113.5 | Y131 A134 V135 I147 L150 H154 V172 R173 | Y131-L176 HydrophobicContact CD2-CD2 4.24Å; Y131-L176 HydrophobicContact CE2-CD2 4.07Å; A134-L176 HydrophobicContact CB-CD2 4.31Å; V135-L176 HydrophobicContact CG2-CD2 3.72Å; I147-L176 HydrophobicContact CD1-CD1 4.37Å; I147-L176 HydrophobicContact CG1-CD1 4.1Å; L150-L176 HydrophobicContact CD2-CB 4.47Å; L150-L176 HydrophobicContact CD2-CD2 3.37Å; L150-L176 HydrophobicContact CD2-CG 3.8Å; H154-L176 PolarHBondContact CE1-O 3.49Å; H154-L176 PolarHBondContact ND1-O 2.95Å; V172-L176 HydrophobicContact CB-CD1 3.96Å; V172-L176 HydrophobicContact CG1-CD1 3.34Å; V172-L176 PolarHBondContact O-N 3.47Å; R173-L176 PolarHBondContact O-N 3.22Å |
| 177 | C | 80.5 | Confident | 69 | Low | 13 Ų | 13 | 65.4 Ų | 65.4 | 9% | 0.088 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -91.5 | 138.2 | -174 | -56.6 | 0 | 0 | 0 | 0 | 112 | C160 R173 L182 | C160-C177 HydrophobicContact CB-CB 3.9Å; C160-C177 WeakPolarHBondContact CB-SG 3.46Å; C160-C177 WeakPolarHBondContact SG-CA 3.43Å; C160-C177 WeakPolarHBondContact SG-CB 3.22Å; C160-C177 CovalentContact SG-SG 2.02Å; C160-C177 PolarHBondContact SG-SG 3.37Å; R173-C177 VanDerWaalsContact O-CB 3.31Å; R173-C177 WeakPolarHBondContact O-CB 3.29Å; R173-C177 PolarHBondContact O-N 3.46Å; R173-C177 PolarHBondContact O-SG 3.25Å; C177-L182 HydrophobicContact CB-CD1 4.45Å |
| 178 | P | 74.9 | Confident | 69.8 | Low | 35 Ų | 35 | 66.2 Ų | 66.2 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | trans | -61.2 | 144.4 | 169.4 | -15.8 | 26.3 | 0 | 0 | 0 | 111.9 | H154 G180 I181 | H154-P178 HydrophobicContact CB-CG 3.85Å; P178-G180 PolarHBondContact O-N 3.14Å; P178-G180 VanDerWaalsContact O-N 3.11Å; P178-I181 HydrophobicContact CB-CD1 4.48Å; P178-I181 HydrophobicContact CG-CD1 4Å; P178-I181 PolarHBondContact O-N 2.95Å | ||
| 179 | S | 65.3 | Low | 70.5 | Confident | 111 Ų | 111 | 63.7 Ų | 63.7 | 78% | 0.776 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.3 | -176.3 | -47 | 0 | 0 | 0 | 0 | 114.1 | I181 L182 | S179-I181 PolarHBondContact O-N 3.01Å; S179-L182 PolarHBondContact O-N 2.8Å |
| 180 | G | 64.1 | Low | 71.2 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 68% | 0.68 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -20.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P178 S183 | P178-G180 PolarHBondContact O-N 3.14Å; P178-G180 VanDerWaalsContact O-N 3.11Å; G180-S183 PolarHBondContact O-OG 2.81Å |
| 181 | I | 63.6 | Low | 72.1 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 12% | 0.118 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -13.8 | -177.5 | -59.8 | 179.5 | 0 | 0 | 0 | 111.2 | H154 C159 C160 P178 S179 S183 P187 | H154-I181 WeakPolarHBondContact O-CD1 3.33Å; C159-I181 WeakPolarHBondContact O-CD1 3.32Å; C160-I181 HydrophobicContact CB-CG2 4.12Å; P178-I181 HydrophobicContact CB-CD1 4.48Å; P178-I181 HydrophobicContact CG-CD1 4Å; P178-I181 PolarHBondContact O-N 2.95Å; S179-I181 PolarHBondContact O-N 3.01Å; I181-S183 PolarHBondContact O-N 3.47Å; I181-P187 HydrophobicContact CG2-CB 3.51Å |
| 182 | L | 63.9 | Low | 72.9 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 48% | 0.482 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -4.4 | -175.9 | -151.2 | 76.2 | 0 | 0 | 0 | 114.1 | R173 C177 S179 | R173-L182 HydrophobicContact CG-CD1 4.03Å; C177-L182 HydrophobicContact CB-CD1 4.45Å; S179-L182 PolarHBondContact O-N 2.8Å |
| 183 | S | 57.9 | Low | 73.6 | Confident | 108 Ų | 108 | 58.3 Ų | 58.3 | 76% | 0.755 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.7 | -179.8 | 23.1 | 0 | 0 | 0 | 0 | 113.8 | G180 I181 | G180-S183 PolarHBondContact O-OG 2.81Å; I181-S183 PolarHBondContact O-N 3.47Å |
| 184 | A | 60.3 | Low | 74.3 | Confident | 47 Ų | 47 | 56.7 Ų | 56.7 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -96.2 | 139.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | V186 | A184-V186 PolarHBondContact O-N 2.88Š|
| 185 | P | 58.5 | Low | 75.2 | Confident | 121 Ų | 121 | 55.3 Ų | 55.3 | 79% | 0.786 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -56.9 | -31.6 | 177.2 | -24 | 32.4 | 0 | 0 | 0 | 113.7 | ||
| 186 | V | 62.8 | Low | 75.8 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 53% | 0.527 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -136.2 | 115.3 | 172.4 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | A184 | A184-V186 PolarHBondContact O-N 2.88Š|
| 187 | P | 69.6 | Low | 76.3 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 7% | 0.071 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 153.2 | 176.7 | 30.1 | -34.7 | 0 | 0 | 0 | 110.9 | C160 I181 | C160-P187 HydrophobicContact CB-CB 3.95Å; C160-P187 HydrophobicContact CB-CG 4.06Å; I181-P187 HydrophobicContact CG2-CB 3.51Å |
| 188 | K | 83.8 | Confident | 76.6 | Confident | 125 Ų | 125 | 54.4 Ų | 54.4 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 139 | 178 | -67.2 | -173.3 | 175.1 | -174.9 | 0 | 111.5 | C159 C160 E193 | C159-K188 WeakPolarHBondContact CA-O 3.14Å; C159-K188 WeakPolarHBondContact CB-O 3.26Å; C160-K188 PolarHBondContact N-O 3.21Å; K188-E193 WeakPolarHBondContact CD-OE1 3.28Å; K188-E193 IonicContact NZ-OE1 2.84Å; K188-E193 PolarHBondContact NZ-OE1 3.11Å |
| 189 | S | 86.4 | Confident | 77.2 | Confident | 24 Ų | 24 | 56 Ų | 56 | 17% | 0.168 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 128.4 | 176 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | K162 H191 S192 E193 | K162-S189 WeakPolarHBondContact O-CB 3.28Å; K162-S189 PolarHBondContact O-OG 2.83Å; S189-H191 PolarHBondContact O-N 2.98Å; S189-H191 PolarHBondContact OG-N 2.87Å; S189-S192 PolarHBondContact O-N 3.41Å; S189-S192 PolarHBondContact O-OG 3.48Å; S189-E193 PolarHBondContact O-N 3.35Å |
| 190 | C | 88.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.6 | -26.9 | 175.3 | -69.6 | 0 | 0 | 0 | 0 | 113.1 | Y127 H154 C159 G161 S192 E193 L194 | Y127-C190 HydrophobicContact CD1-CB 4.46Å; Y127-C190 HydrophobicContact CD2-CB 4.44Å; Y127-C190 HydrophobicContact CE1-CB 3.82Å; Y127-C190 HydrophobicContact CE2-CB 3.79Å; Y127-C190 VanDerWaalsContact CZ-CB 3.44Å; Y127-C190 WeakPolarHBondContact OH-CB 3.02Å; Y127-C190 PolarHBondContact OH-SG 3.4Å; H154-C190 VanDerWaalsContact CD2-SG 3.54Å; C159-C190 HydrophobicContact CB-CB 3.91Å; C159-C190 WeakPolarHBondContact CB-SG 3.44Å; C159-C190 WeakPolarHBondContact SG-CA 3.5Å; C159-C190 WeakPolarHBondContact SG-CB 3.22Å; C159-C190 CovalentContact SG-SG 2.03Å; C159-C190 PolarHBondContact SG-SG 3.35Å; G161-C190 WeakPolarHBondContact O-CB 3.41Å; G161-C190 PolarHBondContact O-N 2.98Å; G161-C190 VanDerWaalsContact O-N 3.09Å; C190-S192 VanDerWaalsContact C-N 3.31Å; C190-S192 PolarHBondContact O-N 3.29Å; C190-E193 PolarHBondContact O-N 2.88Å; C190-L194 VanDerWaalsContact O-CB 3.26Å; C190-L194 WeakPolarHBondContact O-CB 3.49Å; C190-L194 WeakPolarHBondContact O-CD1 3.44Å; C190-L194 WeakPolarHBondContact O-CG 3.41Å; C190-L194 PolarHBondContact O-N 3.33Å |
| 191 | H | 89.6 | Confident | 79.3 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 14% | 0.144 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 174.1 | -68.1 | 52.7 | 0 | 0 | 0 | 111.1 | I124 Y127 D128 K162 S189 L194 V195 | I124-H191 WeakPolarHBondContact CG2-CD2 3.31Å; I124-H191 WeakPolarHBondContact CG2-NE2 3.17Å; Y127-H191 AromaticContact CD1-CE1 3.6Å; Y127-H191 AromaticContact CD1-ND1 3.97Å; Y127-H191 AromaticContact CE1-CE1 3.78Å; Y127-H191 AromaticContact CE1-ND1 3.94Å; D128-H191 VanDerWaalsContact CG-NE2 3.3Å; D128-H191 IonicContact OD1-CE1 2.91Å; D128-H191 PolarHBondContact OD1-CE1 2.99Å; D128-H191 IonicContact OD1-NE2 3.15Å; D128-H191 PolarHBondContact OD1-NE2 2.7Å; D128-H191 IonicContact OD2-CE1 3.97Å; D128-H191 IonicContact OD2-NE2 2.89Å; D128-H191 PolarHBondContact OD2-NE2 3.47Å; D128-H191 VanDerWaalsContact OD2-NE2 3.15Å; K162-H191 WeakPolarHBondContact CG-CE1 3.46Å; S189-H191 PolarHBondContact O-N 2.98Å; S189-H191 PolarHBondContact OG-N 2.87Å; H191-L194 PolarHBondContact O-N 2.91Å; H191-V195 WeakPolarHBondContact O-CG2 3.48Å; H191-V195 PolarHBondContact O-N 2.89Å; H191-V195 VanDerWaalsContact O-N 3.09Å |
| 192 | S | 88.1 | Confident | 80.4 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | -179.9 | 66 | 0 | 0 | 0 | 0 | 112.5 | S189 C190 V195 A196 | S189-S192 PolarHBondContact O-N 3.41Å; S189-S192 PolarHBondContact O-OG 3.48Å; C190-S192 VanDerWaalsContact C-N 3.31Å; C190-S192 PolarHBondContact O-N 3.29Å; S192-V195 PolarHBondContact O-N 3.29Å; S192-A196 WeakPolarHBondContact O-CB 3.34Å; S192-A196 PolarHBondContact O-N 3.17Å |
| 193 | E | 89.6 | Confident | 81.5 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 23% | 0.229 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.7 | -33 | 178.5 | -68.1 | -68.8 | 173.2 | 0 | 0 | 111.6 | L157 C159 K188 S189 C190 A196 L197 | L157-E193 HydrophobicContact CB-CB 4.41Å; C159-E193 HydrophobicContact CB-CB 4.36Å; C159-E193 HydrophobicContact CB-CG 4.12Å; K188-E193 WeakPolarHBondContact CD-OE1 3.28Å; K188-E193 IonicContact NZ-OE1 2.84Å; K188-E193 PolarHBondContact NZ-OE1 3.11Å; S189-E193 PolarHBondContact O-N 3.35Å; C190-E193 PolarHBondContact O-N 2.88Å; E193-A196 PolarHBondContact O-N 3.27Å; E193-L197 WeakPolarHBondContact O-CB 3.45Å; E193-L197 PolarHBondContact O-N 3.12Å |
| 194 | L | 89.6 | Confident | 83 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 171.8 | -76.7 | 167.2 | 0 | 0 | 0 | 111.7 | L123 I124 Y127 F153 L157 C190 H191 A196 L197 F198 | L123-L194 HydrophobicContact CD2-CD2 3.55Å; L123-L194 HydrophobicContact CG-CD2 3.88Å; I124-L194 HydrophobicContact CG1-CB 4.08Å; I124-L194 HydrophobicContact CG1-CD1 3.94Å; Y127-L194 HydrophobicContact CG-CD1 4.25Å; F153-L194 HydrophobicContact CD1-CD2 4.41Å; F153-L194 HydrophobicContact CE1-CD2 4.25Å; L157-L194 HydrophobicContact CD1-CD2 3.55Å; L157-L194 HydrophobicContact CD1-CG 3.85Å; C190-L194 VanDerWaalsContact O-CB 3.26Å; C190-L194 WeakPolarHBondContact O-CB 3.49Å; C190-L194 WeakPolarHBondContact O-CD1 3.44Å; C190-L194 WeakPolarHBondContact O-CG 3.41Å; C190-L194 PolarHBondContact O-N 3.33Å; H191-L194 PolarHBondContact O-N 2.91Å; L194-A196 VanDerWaalsContact C-N 3.35Å; L194-L197 WeakPolarHBondContact O-CB 3.32Å; L194-L197 PolarHBondContact O-N 3.48Å; L194-F198 WeakPolarHBondContact O-CD2 3.49Å; L194-F198 PolarHBondContact O-N 2.97Å |
| 195 | V | 89.8 | Confident | 84.3 | Confident | 61 Ų | 61 | 65.1 Ų | 65.1 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 174.9 | 176 | 0 | 0 | 0 | 0 | 111 | I124 H191 S192 L197 F198 S199 | I124-V195 HydrophobicContact CD1-CG2 3.72Å; H191-V195 WeakPolarHBondContact O-CG2 3.48Å; H191-V195 PolarHBondContact O-N 2.89Å; H191-V195 VanDerWaalsContact O-N 3.09Å; S192-V195 PolarHBondContact O-N 3.29Å; V195-L197 VanDerWaalsContact C-N 3.26Å; V195-L197 PolarHBondContact O-N 3.47Å; V195-F198 PolarHBondContact O-N 3.2Å; V195-S199 WeakPolarHBondContact O-CB 3.21Å; V195-S199 PolarHBondContact O-N 3.21Å; V195-S199 PolarHBondContact O-OG 3.15Å; V195-S199 VanDerWaalsContact O-OG 3.08Å |
| 196 | A | 88.6 | Confident | 85.8 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 19% | 0.19 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -33.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S192 E193 L194 F198 S199 E200 K201 | S192-A196 WeakPolarHBondContact O-CB 3.34Å; S192-A196 PolarHBondContact O-N 3.17Å; E193-A196 PolarHBondContact O-N 3.27Å; L194-A196 VanDerWaalsContact C-N 3.35Å; A196-F198 PolarHBondContact O-N 3.03Å; A196-S199 PolarHBondContact O-N 3.38Å; A196-E200 WeakPolarHBondContact O-CA 3.38Å; A196-E200 WeakPolarHBondContact O-CB 3.43Å; A196-E200 PolarHBondContact O-N 3.32Å; A196-K201 PolarHBondContact O-N 2.75Å |
| 197 | L | 87.8 | Confident | 87.2 | Confident | 33 Ų | 33 | 61 Ų | 61 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 176.8 | -153.9 | 175.9 | 0 | 0 | 0 | 111.5 | L157 E193 L194 V195 K201 L202 I205 | L157-L197 HydrophobicContact CD2-CD1 3.43Å; L157-L197 VanDerWaalsContact CD2-CD1 3.43Å; L157-L197 HydrophobicContact CD2-CG 4.42Å; E193-L197 WeakPolarHBondContact O-CB 3.45Å; E193-L197 PolarHBondContact O-N 3.12Å; L194-L197 WeakPolarHBondContact O-CB 3.32Å; L194-L197 PolarHBondContact O-N 3.48Å; V195-L197 VanDerWaalsContact C-N 3.26Å; V195-L197 PolarHBondContact O-N 3.47Å; L197-K201 HydrophobicContact CD2-CB 4.48Å; L197-K201 CarbonylContact O-C 3.49Å; L197-K201 VanDerWaalsContact O-CA 3.3Å; L197-K201 WeakPolarHBondContact O-CA 3.45Å; L197-K201 PolarHBondContact O-N 3.39Å; L197-K201 VanDerWaalsContact O-N 3.14Å; L197-L202 PolarHBondContact O-N 2.89Å; L197-L202 VanDerWaalsContact O-N 3.11Å; L197-I205 HydrophobicContact CD2-CD1 3.42Å; L197-I205 VanDerWaalsContact CD2-CD1 3.42Å; L197-I205 HydrophobicContact CD2-CG1 3.64Å |
| 198 | F | 86.8 | Confident | 88.3 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -77.1 | -22.6 | 179.5 | -73.9 | -78.4 | 0 | 0 | 0 | 114.1 | M119 L123 L194 V195 A196 I205 | M119-F198 HydrophobicContact CB-CE1 4.04Å; M119-F198 HydrophobicContact CB-CZ 4.33Å; L123-F198 HydrophobicContact CB-CE2 4.26Å; L123-F198 HydrophobicContact CD2-CE2 3.65Å; L123-F198 HydrophobicContact CD2-CZ 3.94Å; L194-F198 WeakPolarHBondContact O-CD2 3.49Å; L194-F198 PolarHBondContact O-N 2.97Å; V195-F198 PolarHBondContact O-N 3.2Å; A196-F198 PolarHBondContact O-N 3.03Å; F198-I205 HydrophobicContact CD1-CD1 3.67Å; F198-I205 HydrophobicContact CE1-CD1 3.5Å; F198-I205 HydrophobicContact CG-CD1 4.41Å; F198-I205 HydrophobicContact CZ-CD1 4.13Å |
| 199 | S | 86.6 | Confident | 88.6 | Confident | 69 Ų | 69 | 59 Ų | 59 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -94.5 | -45 | -177.5 | -61.4 | 0 | 0 | 0 | 0 | 113.1 | V195 A196 | V195-S199 WeakPolarHBondContact O-CB 3.21Å; V195-S199 PolarHBondContact O-N 3.21Å; V195-S199 PolarHBondContact O-OG 3.15Å; V195-S199 VanDerWaalsContact O-OG 3.08Å; A196-S199 PolarHBondContact O-N 3.38Å |
| 200 | E | 86.1 | Confident | 89 | Confident | 152 Ų | 152 | 62.9 Ų | 62.9 | 71% | 0.71 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -106.9 | -29.1 | -174 | -58.9 | -171.1 | 168 | 0 | 0 | 113.2 | A196 | A196-E200 WeakPolarHBondContact O-CA 3.38Å; A196-E200 WeakPolarHBondContact O-CB 3.43Å; A196-E200 PolarHBondContact O-N 3.32Å |
| 201 | K | 87.1 | Confident | 89.3 | Confident | 113 Ų | 113 | 66.5 Ų | 66.5 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | trans | -112.6 | 24.9 | -174.1 | -50.6 | -62.9 | -177.7 | -173.7 | 0 | 113.6 | A196 L197 H203 L204 | A196-K201 PolarHBondContact O-N 2.75Å; L197-K201 HydrophobicContact CD2-CB 4.48Å; L197-K201 CarbonylContact O-C 3.49Å; L197-K201 VanDerWaalsContact O-CA 3.3Å; L197-K201 WeakPolarHBondContact O-CA 3.45Å; L197-K201 PolarHBondContact O-N 3.39Å; L197-K201 VanDerWaalsContact O-N 3.14Å; K201-H203 PolarHBondContact O-N 2.93Å; K201-L204 HydrophobicContact CB-CD1 4.04Å; K201-L204 HydrophobicContact CB-CG 4.38Å; K201-L204 WeakPolarHBondContact O-CB 2.97Å; K201-L204 PolarHBondContact O-N 3.02Å | ||
| 202 | L | 86.5 | Confident | 89.5 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56 | -29.6 | 179.7 | -169.6 | 145.9 | 0 | 0 | 0 | 112.5 | F113 L197 L204 I205 G206 | F113-L202 HydrophobicContact CD2-CD1 4.01Å; F113-L202 HydrophobicContact CD2-CD2 3.9Å; F113-L202 HydrophobicContact CE2-CD1 4.18Å; F113-L202 HydrophobicContact CE2-CD2 3.91Å; L197-L202 PolarHBondContact O-N 2.89Å; L197-L202 VanDerWaalsContact O-N 3.11Å; L202-L204 PolarHBondContact O-N 2.99Å; L202-I205 PolarHBondContact O-N 3.41Å; L202-G206 PolarHBondContact O-N 2.91Å |
| 203 | H | 88.1 | Confident | 89.9 | Confident | 149 Ų | 149 | 65.9 Ų | 65.9 | 69% | 0.69 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58 | -31.8 | 173.9 | -173.1 | -65.2 | 0 | 0 | 0 | 113.2 | K201 G206 L207 | K201-H203 PolarHBondContact O-N 2.93Å; H203-G206 PolarHBondContact O-N 3.32Å; H203-L207 WeakPolarHBondContact O-CB 3.41Å; H203-L207 PolarHBondContact O-N 3.32Å |
| 204 | L | 88.7 | Confident | 90.2 | Very high | 107 Ų | 107 | 66.5 Ų | 66.5 | 56% | 0.56 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.8 | -43.8 | 177.7 | -66.9 | 179.1 | 0 | 0 | 0 | 111.5 | K201 L202 G206 L207 A208 | K201-L204 HydrophobicContact CB-CD1 4.04Å; K201-L204 HydrophobicContact CB-CG 4.38Å; K201-L204 WeakPolarHBondContact O-CB 2.97Å; K201-L204 PolarHBondContact O-N 3.02Å; L202-L204 PolarHBondContact O-N 2.99Å; L204-G206 VanDerWaalsContact C-N 3.34Å; L204-L207 PolarHBondContact O-N 2.84Å; L204-A208 PolarHBondContact O-N 3.21Å |
| 205 | I | 87.6 | Confident | 90.4 | Very high | 67 Ų | 67 | 69.5 Ų | 69.5 | 34% | 0.344 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 174.8 | -62 | 165.7 | 0 | 0 | 0 | 109.8 | L197 F198 L202 L207 A208 A209 | L197-I205 HydrophobicContact CD2-CD1 3.42Å; L197-I205 VanDerWaalsContact CD2-CD1 3.42Å; L197-I205 HydrophobicContact CD2-CG1 3.64Å; F198-I205 HydrophobicContact CD1-CD1 3.67Å; F198-I205 HydrophobicContact CE1-CD1 3.5Å; F198-I205 HydrophobicContact CG-CD1 4.41Å; F198-I205 HydrophobicContact CZ-CD1 4.13Å; L202-I205 PolarHBondContact O-N 3.41Å; I205-L207 VanDerWaalsContact C-N 3.33Å; I205-L207 PolarHBondContact O-N 3.26Å; I205-A208 PolarHBondContact O-N 3.46Å; I205-A209 PolarHBondContact O-N 3.47Å |
| 206 | G | 91 | Very high | 90.6 | Very high | 37 Ų | 37 | 67.9 Ų | 67.9 | 38% | 0.381 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L202 H203 L204 A209 L210 | L202-G206 PolarHBondContact O-N 2.91Å; H203-G206 PolarHBondContact O-N 3.32Å; L204-G206 VanDerWaalsContact C-N 3.34Å; G206-A209 PolarHBondContact O-N 2.92Å; G206-L210 WeakPolarHBondContact O-CB 3.11Å; G206-L210 PolarHBondContact O-N 3.35Å |
| 207 | L | 92.3 | Very high | 91 | Very high | 86 Ų | 86 | 70.2 Ų | 70.2 | 45% | 0.45 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 175.1 | -179.7 | 66 | 0 | 0 | 0 | 111.7 | H203 L204 I205 L210 V211 | H203-L207 WeakPolarHBondContact O-CB 3.41Å; H203-L207 PolarHBondContact O-N 3.32Å; L204-L207 PolarHBondContact O-N 2.84Å; I205-L207 VanDerWaalsContact C-N 3.33Å; I205-L207 PolarHBondContact O-N 3.26Å; L207-L210 PolarHBondContact O-N 3.12Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 2.85Å |
| 208 | A | 90.8 | Very high | 91.3 | Very high | 57 Ų | 57 | 74 Ų | 74 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L204 I205 L210 V211 V212 | L204-A208 PolarHBondContact O-N 3.21Å; I205-A208 PolarHBondContact O-N 3.46Å; A208-L210 VanDerWaalsContact C-N 3.35Å; A208-L210 PolarHBondContact O-N 3.37Å; A208-V211 PolarHBondContact O-N 3.27Å; A208-V212 WeakPolarHBondContact O-CG2 3.25Å; A208-V212 PolarHBondContact O-N 3.31Å; A208-V212 VanDerWaalsContact O-N 3.11Å |
| 209 | A | 91.9 | Very high | 91.6 | Very high | 35 Ų | 35 | 73.3 Ų | 73.3 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I205 G206 V211 V212 A213 | I205-A209 PolarHBondContact O-N 3.47Å; G206-A209 PolarHBondContact O-N 2.92Å; A209-V211 VanDerWaalsContact C-N 3.32Å; A209-V211 PolarHBondContact O-N 3.28Å; A209-V212 PolarHBondContact O-N 2.97Å; A209-A213 WeakPolarHBondContact O-CB 3.32Å; A209-A213 PolarHBondContact O-N 3.42Å |
| 210 | L | 94.6 | Very high | 92 | Very high | 106 Ų | 106 | 71.3 Ų | 71.3 | 56% | 0.555 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.2 | -41 | 176.6 | -178.3 | 64.9 | 0 | 0 | 0 | 112.5 | G206 L207 A208 A213 V214 | G206-L210 WeakPolarHBondContact O-CB 3.11Å; G206-L210 PolarHBondContact O-N 3.35Å; L207-L210 PolarHBondContact O-N 3.12Å; A208-L210 VanDerWaalsContact C-N 3.35Å; A208-L210 PolarHBondContact O-N 3.37Å; L210-A213 PolarHBondContact O-N 3.2Å; L210-V214 HydrophobicContact CD1-CG2 4.44Å; L210-V214 WeakPolarHBondContact O-CB 3.44Å; L210-V214 VanDerWaalsContact O-CG2 3.26Å; L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 3.08Å |
| 211 | V | 95.3 | Very high | 92.4 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 177.1 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L207 A208 A209 V214 I215 | L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 2.85Å; A208-V211 PolarHBondContact O-N 3.27Å; A209-V211 VanDerWaalsContact C-N 3.32Å; A209-V211 PolarHBondContact O-N 3.28Å; V211-V214 PolarHBondContact O-N 2.84Å; V211-I215 HydrophobicContact CG1-CD1 3.88Å; V211-I215 VanDerWaalsContact O-CG1 3.3Å; V211-I215 WeakPolarHBondContact O-CG1 3.37Å; V211-I215 PolarHBondContact O-N 2.98Å |
| 212 | V | 93.5 | Very high | 92.7 | Very high | 67 Ų | 67 | 65.4 Ų | 65.4 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | E105 A208 A209 V214 I215 M216 | E105-V212 WeakPolarHBondContact OE1-CB 3.49Å; E105-V212 WeakPolarHBondContact OE1-CG1 3.21Å; A208-V212 WeakPolarHBondContact O-CG2 3.25Å; A208-V212 PolarHBondContact O-N 3.31Å; A208-V212 VanDerWaalsContact O-N 3.11Å; A209-V212 PolarHBondContact O-N 2.97Å; V212-V214 VanDerWaalsContact C-N 3.32Å; V212-V214 PolarHBondContact O-N 3.35Å; V212-I215 PolarHBondContact O-N 3.15Å; V212-I215 VanDerWaalsContact O-N 3.15Å; V212-M216 HydrophobicContact CG1-CE 3.77Å; V212-M216 PolarHBondContact O-N 3.43Å |
| 213 | A | 95.5 | Very high | 93 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.3 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F102 E105 A209 L210 M216 I217 | F102-A213 HydrophobicContact CE2-CB 4.07Å; E105-A213 PolarHBondContact OE1-N 3.13Å; A209-A213 WeakPolarHBondContact O-CB 3.32Å; A209-A213 PolarHBondContact O-N 3.42Å; L210-A213 PolarHBondContact O-N 3.2Å; A213-M216 PolarHBondContact O-N 3.25Å; A213-I217 WeakPolarHBondContact O-CG1 3.37Å; A213-I217 PolarHBondContact O-N 3.08Å; A213-I217 VanDerWaalsContact O-N 3.08Å |
| 214 | V | 95.9 | Very high | 93.2 | Very high | 61 Ų | 61 | 60 Ų | 60 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.3 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | L210 V211 V212 I217 F218 | L210-V214 HydrophobicContact CD1-CG2 4.44Å; L210-V214 WeakPolarHBondContact O-CB 3.44Å; L210-V214 VanDerWaalsContact O-CG2 3.26Å; L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 3.08Å; V211-V214 PolarHBondContact O-N 2.84Å; V212-V214 VanDerWaalsContact C-N 3.32Å; V212-V214 PolarHBondContact O-N 3.35Å; V214-I217 PolarHBondContact O-N 3.28Å; V214-F218 HydrophobicContact CG1-CD2 3.68Å; V214-F218 HydrophobicContact CG1-CE2 3.48Å; V214-F218 VanDerWaalsContact CG1-CE2 3.48Å; V214-F218 WeakPolarHBondContact O-CD2 3.48Å; V214-F218 PolarHBondContact O-N 2.96Å |
| 215 | I | 93.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 33% | 0.328 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60 | -47 | 176.3 | -68.7 | 165.6 | 0 | 0 | 0 | 110.3 | F21 V211 V212 I217 F218 E219 | F21-I215 HydrophobicContact CE2-CG2 4.25Å; F21-I215 HydrophobicContact CZ-CG2 4.22Å; V211-I215 HydrophobicContact CG1-CD1 3.88Å; V211-I215 VanDerWaalsContact O-CG1 3.3Å; V211-I215 WeakPolarHBondContact O-CG1 3.37Å; V211-I215 PolarHBondContact O-N 2.98Å; V212-I215 PolarHBondContact O-N 3.15Å; V212-I215 VanDerWaalsContact O-N 3.15Å; I215-I217 VanDerWaalsContact C-N 3.29Å; I215-I217 PolarHBondContact O-N 3.18Å; I215-F218 PolarHBondContact O-N 2.74Å; I215-F218 VanDerWaalsContact O-N 3.15Å; I215-E219 HydrophobicContact CG2-CG 4.4Å; I215-E219 WeakPolarHBondContact O-CG 3.38Å; I215-E219 PolarHBondContact O-N 2.49Å |
| 216 | M | 95 | Very high | 93.5 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 14% | 0.138 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 177.7 | -69.1 | -168.2 | -172.3 | 0 | 0 | 112.2 | L101 F102 V212 A213 E219 M220 | L101-M216 HydrophobicContact CB-CE 3.98Å; L101-M216 HydrophobicContact CB-SD 4.08Å; F102-M216 HydrophobicContact CB-SD 4.23Å; V212-M216 HydrophobicContact CG1-CE 3.77Å; V212-M216 PolarHBondContact O-N 3.43Å; A213-M216 PolarHBondContact O-N 3.25Å; M216-E219 PolarHBondContact O-N 3.19Å; M216-M220 WeakPolarHBondContact O-CB 3.18Å; M216-M220 WeakPolarHBondContact O-CG 3.42Å; M216-M220 PolarHBondContact O-N 2.92Å |
| 217 | I | 95.6 | Very high | 93.4 | Very high | 72 Ų | 72 | 53.9 Ų | 53.9 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 177.2 | -67.5 | 166.6 | 0 | 0 | 0 | 111.1 | F102 A213 V214 I215 E219 M220 I221 | F102-I217 HydrophobicContact CE2-CD1 4.05Å; F102-I217 HydrophobicContact CE2-CG1 4.11Å; F102-I217 HydrophobicContact CZ-CD1 4.34Å; A213-I217 WeakPolarHBondContact O-CG1 3.37Å; A213-I217 PolarHBondContact O-N 3.08Å; A213-I217 VanDerWaalsContact O-N 3.08Å; V214-I217 PolarHBondContact O-N 3.28Å; I215-I217 VanDerWaalsContact C-N 3.29Å; I215-I217 PolarHBondContact O-N 3.18Å; I217-E219 VanDerWaalsContact C-N 3.35Å; I217-E219 PolarHBondContact O-N 2.92Å; I217-M220 HydrophobicContact CB-CE 4.37Å; I217-M220 HydrophobicContact CG1-CE 3.9Å; I217-M220 WeakPolarHBondContact O-CB 3.24Å; I217-M220 PolarHBondContact O-N 2.92Å; I217-I221 HydrophobicContact CG2-CD1 3.84Å; I217-I221 HydrophobicContact CG2-CG1 4.47Å; I217-I221 VanDerWaalsContact O-CG1 3.28Å; I217-I221 WeakPolarHBondContact O-CG1 3.41Å; I217-I221 PolarHBondContact O-N 2.96Å |
| 218 | F | 94.1 | Very high | 93.2 | Very high | 112 Ų | 112 | 52.3 Ų | 52.3 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 176 | -81 | -67.5 | 0 | 0 | 0 | 112.1 | V214 I215 M220 I221 F222 | V214-F218 HydrophobicContact CG1-CD2 3.68Å; V214-F218 HydrophobicContact CG1-CE2 3.48Å; V214-F218 VanDerWaalsContact CG1-CE2 3.48Å; V214-F218 WeakPolarHBondContact O-CD2 3.48Å; V214-F218 PolarHBondContact O-N 2.96Å; I215-F218 PolarHBondContact O-N 2.74Å; I215-F218 VanDerWaalsContact O-N 3.15Å; F218-M220 PolarHBondContact O-N 3.38Å; F218-I221 PolarHBondContact O-N 3.28Å; F218-F222 HydrophobicContact CB-CE2 4.39Å; F218-F222 HydrophobicContact CD1-CZ 4.31Å; F218-F222 WeakPolarHBondContact O-CB 3.44Å; F218-F222 WeakPolarHBondContact O-CD2 3.22Å; F218-F222 VanDerWaalsContact O-CG 3.27Å; F218-F222 WeakPolarHBondContact O-CG 3.04Å; F218-F222 PolarHBondContact O-N 3.32Å |
| 219 | E | 93.6 | Very high | 93 | Very high | 17 Ų | 17 | 50.3 Ų | 50.3 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 176 | -70.1 | -173.7 | 153.6 | 0 | 0 | 112.2 | F94 L98 I215 M216 I217 T223 | F94-E219 HydrophobicContact CZ-CB 4.44Å; L98-E219 HydrophobicContact CD1-CB 3.65Å; I215-E219 HydrophobicContact CG2-CG 4.4Å; I215-E219 WeakPolarHBondContact O-CG 3.38Å; I215-E219 PolarHBondContact O-N 2.49Å; M216-E219 PolarHBondContact O-N 3.19Å; I217-E219 VanDerWaalsContact C-N 3.35Å; I217-E219 PolarHBondContact O-N 2.92Å; E219-T223 WeakPolarHBondContact O-CB 3.39Å; E219-T223 PolarHBondContact O-N 3.47Å; E219-T223 PolarHBondContact O-OG1 3.05Å |
| 220 | M | 95.5 | Very high | 92.7 | Very high | 27 Ų | 27 | 50 Ų | 50 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 173.8 | -78.9 | -170.2 | -70.6 | 0 | 0 | 111.8 | F95 L98 V99 F102 M216 I217 F218 T223 M224 | F95-M220 HydrophobicContact CD2-CB 4.14Å; F95-M220 HydrophobicContact CD2-CG 4.07Å; F95-M220 HydrophobicContact CE2-CB 3.73Å; F95-M220 HydrophobicContact CE2-CG 3.85Å; F95-M220 HydrophobicContact CE2-SD 4.29Å; L98-M220 HydrophobicContact CB-CG 3.78Å; L98-M220 HydrophobicContact CB-SD 4.35Å; L98-M220 HydrophobicContact CD1-CG 3.84Å; V99-M220 HydrophobicContact CG2-SD 3.84Å; F102-M220 HydrophobicContact CG-CE 4.45Å; M216-M220 WeakPolarHBondContact O-CB 3.18Å; M216-M220 WeakPolarHBondContact O-CG 3.42Å; M216-M220 PolarHBondContact O-N 2.92Å; I217-M220 HydrophobicContact CB-CE 4.37Å; I217-M220 HydrophobicContact CG1-CE 3.9Å; I217-M220 WeakPolarHBondContact O-CB 3.24Å; I217-M220 PolarHBondContact O-N 2.92Å; F218-M220 PolarHBondContact O-N 3.38Å; M220-T223 PolarHBondContact O-N 2.96Å; M220-M224 WeakPolarHBondContact O-CG 3.46Å; M220-M224 PolarHBondContact O-N 2.88Å |
| 221 | I | 94.6 | Very high | 92.2 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 44% | 0.436 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.7 | -51.2 | 178.3 | -67.3 | 165.4 | 0 | 0 | 0 | 110.3 | I217 F218 T223 M224 V225 | I217-I221 HydrophobicContact CG2-CD1 3.84Å; I217-I221 HydrophobicContact CG2-CG1 4.47Å; I217-I221 VanDerWaalsContact O-CG1 3.28Å; I217-I221 WeakPolarHBondContact O-CG1 3.41Å; I217-I221 PolarHBondContact O-N 2.96Å; F218-I221 PolarHBondContact O-N 3.28Å; I221-T223 VanDerWaalsContact C-N 3.28Å; I221-T223 PolarHBondContact O-N 2.93Å; I221-M224 PolarHBondContact O-N 3.12Å; I221-V225 HydrophobicContact CG2-CG2 4.34Å; I221-V225 WeakPolarHBondContact O-CG2 3.41Å; I221-V225 PolarHBondContact O-N 3.02Å |
| 222 | F | 93.2 | Very high | 91.6 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | -179.5 | -68.6 | -21.8 | 0 | 0 | 0 | 112.1 | I10 L14 F218 V225 L226 | I10-F222 HydrophobicContact CG2-CB 3.83Å; I10-F222 HydrophobicContact CG2-CD1 4.24Å; I10-F222 HydrophobicContact CG2-CG 4.11Å; L14-F222 HydrophobicContact CD1-CB 3.79Å; L14-F222 HydrophobicContact CD2-CB 3.81Å; L14-F222 HydrophobicContact CD2-CD2 4.45Å; L14-F222 HydrophobicContact CG-CB 3.76Å; F218-F222 HydrophobicContact CB-CE2 4.39Å; F218-F222 HydrophobicContact CD1-CZ 4.31Å; F218-F222 WeakPolarHBondContact O-CB 3.44Å; F218-F222 WeakPolarHBondContact O-CD2 3.22Å; F218-F222 VanDerWaalsContact O-CG 3.27Å; F218-F222 WeakPolarHBondContact O-CG 3.04Å; F218-F222 PolarHBondContact O-N 3.32Å; F222-V225 PolarHBondContact O-N 3.39Å; F222-L226 VanDerWaalsContact O-CB 3.29Å; F222-L226 WeakPolarHBondContact O-CB 3.42Å; F222-L226 PolarHBondContact O-N 3.25Å |
| 223 | T | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59 | -49.3 | 173.4 | -69.1 | 0 | 0 | 0 | 0 | 111.4 | L91 F94 F95 E219 M220 I221 L226 C227 | L91-T223 HydrophobicContact CD2-CG2 4.2Å; L91-T223 WeakPolarHBondContact CD2-O 3.32Å; L91-T223 HydrophobicContact CG-CG2 3.79Å; L91-T223 WeakPolarHBondContact O-CG2 3.15Å; F94-T223 HydrophobicContact CD1-CG2 4.22Å; F94-T223 VanDerWaalsContact CD1-OG1 3.31Å; F94-T223 WeakPolarHBondContact CD1-OG1 3.22Å; F94-T223 WeakPolarHBondContact CE1-OG1 3.36Å; F95-T223 HydrophobicContact CB-CG2 3.79Å; F95-T223 HydrophobicContact CD2-CG2 4.09Å; F95-T223 HydrophobicContact CG-CG2 4.4Å; E219-T223 WeakPolarHBondContact O-CB 3.39Å; E219-T223 PolarHBondContact O-N 3.47Å; E219-T223 PolarHBondContact O-OG1 3.05Å; M220-T223 PolarHBondContact O-N 2.96Å; I221-T223 VanDerWaalsContact C-N 3.28Å; I221-T223 PolarHBondContact O-N 2.93Å; T223-L226 PolarHBondContact O-N 2.98Å; T223-C227 WeakPolarHBondContact O-CB 3.35Å; T223-C227 PolarHBondContact O-N 3.21Å |
| 224 | M | 92.3 | Very high | 89 | Confident | 85 Ų | 85 | 59 Ų | 59 | 42% | 0.419 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 179.2 | -79 | -67 | 175 | 0 | 0 | 112.4 | F95 M220 I221 L226 C227 C228 | F95-M224 HydrophobicContact CD1-CE 3.5Å; F95-M224 VanDerWaalsContact CD1-CE 3.5Å; F95-M224 HydrophobicContact CD2-CE 3.63Å; F95-M224 HydrophobicContact CD2-CG 4Å; F95-M224 HydrophobicContact CE1-CE 3.33Å; F95-M224 HydrophobicContact CE2-CE 3.45Å; F95-M224 VanDerWaalsContact CE2-CE 3.45Å; F95-M224 HydrophobicContact CE2-CG 3.68Å; F95-M224 HydrophobicContact CE2-SD 4.43Å; F95-M224 HydrophobicContact CG-CE 3.65Å; F95-M224 HydrophobicContact CZ-CE 3.31Å; F95-M224 HydrophobicContact CZ-CG 4.31Å; M220-M224 WeakPolarHBondContact O-CG 3.46Å; M220-M224 PolarHBondContact O-N 2.88Å; I221-M224 PolarHBondContact O-N 3.12Å; M224-L226 VanDerWaalsContact C-N 3.34Å; M224-L226 PolarHBondContact O-N 3.11Å; M224-C227 PolarHBondContact O-N 3.41Å; M224-C228 WeakPolarHBondContact O-CB 3.49Å; M224-C228 PolarHBondContact O-N 3.18Å; M224-C228 PolarHBondContact O-SG 3.07Å; M224-C228 VanDerWaalsContact O-SG 3.38Å |
| 225 | V | 91.6 | Very high | 87.1 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 37% | 0.37 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | T7 I10 I221 F222 C228 G229 | T7-V225 HydrophobicContact CG2-CG1 4.25Å; I10-V225 HydrophobicContact CD1-CG1 3.63Å; I221-V225 HydrophobicContact CG2-CG2 4.34Å; I221-V225 WeakPolarHBondContact O-CG2 3.41Å; I221-V225 PolarHBondContact O-N 3.02Å; F222-V225 PolarHBondContact O-N 3.39Å; V225-C228 PolarHBondContact O-N 3.47Å; V225-G229 PolarHBondContact O-N 2.64Å |
| 226 | L | 89.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.3 | -44.2 | 178.1 | -175.6 | 61.6 | 0 | 0 | 0 | 111.6 | K11 L14 A83 L91 F222 T223 M224 C228 G229 I230 | K11-L226 HydrophobicContact CB-CD1 4.12Å; K11-L226 HydrophobicContact CB-CD2 4.4Å; L14-L226 HydrophobicContact CD1-CB 4.3Å; L14-L226 HydrophobicContact CD1-CD2 3.82Å; A83-L226 HydrophobicContact CB-CD2 4.16Å; L91-L226 HydrophobicContact CD1-CD2 4.47Å; L91-L226 HydrophobicContact CD2-CB 3.87Å; L91-L226 HydrophobicContact CD2-CD2 3.81Å; L91-L226 HydrophobicContact CD2-CG 3.84Å; F222-L226 VanDerWaalsContact O-CB 3.29Å; F222-L226 WeakPolarHBondContact O-CB 3.42Å; F222-L226 PolarHBondContact O-N 3.25Å; T223-L226 PolarHBondContact O-N 2.98Å; M224-L226 VanDerWaalsContact C-N 3.34Å; M224-L226 PolarHBondContact O-N 3.11Å; L226-C228 VanDerWaalsContact C-N 3.34Å; L226-C228 PolarHBondContact O-N 2.99Å; L226-G229 PolarHBondContact O-N 3.12Å; L226-I230 HydrophobicContact CD1-CD1 4.3Å; L226-I230 HydrophobicContact CD1-CG1 4.42Å; L226-I230 HydrophobicContact CG-CD1 3.96Å; L226-I230 WeakPolarHBondContact O-CD1 3.3Å; L226-I230 VanDerWaalsContact O-CG1 3.23Å; L226-I230 WeakPolarHBondContact O-CG1 3.28Å; L226-I230 PolarHBondContact O-N 3.41Å |
| 227 | C | 88.9 | Confident | 82.2 | Confident | 21 Ų | 21 | 74.4 Ų | 74.4 | 14% | 0.142 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.5 | -48.3 | 172.8 | -93.2 | 0 | 0 | 0 | 0 | 112.2 | Q88 L91 T223 M224 I230 R231 | Q88-C227 PolarHBondContact NE2-O 2.69Å; L91-C227 HydrophobicContact CD2-CB 4.43Å; T223-C227 WeakPolarHBondContact O-CB 3.35Å; T223-C227 PolarHBondContact O-N 3.21Å; M224-C227 PolarHBondContact O-N 3.41Å; C227-I230 PolarHBondContact O-N 3.38Å; C227-R231 PolarHBondContact O-N 3.02Å |
| 228 | C | 88.5 | Confident | 81.5 | Confident | 52 Ų | 52 | 74.6 Ų | 74.6 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 177.6 | -74.9 | 0 | 0 | 0 | 0 | 111.9 | M224 V225 L226 I230 R231 N232 | M224-C228 WeakPolarHBondContact O-CB 3.49Å; M224-C228 PolarHBondContact O-N 3.18Å; M224-C228 PolarHBondContact O-SG 3.07Å; M224-C228 VanDerWaalsContact O-SG 3.38Å; V225-C228 PolarHBondContact O-N 3.47Å; L226-C228 VanDerWaalsContact C-N 3.34Å; L226-C228 PolarHBondContact O-N 2.99Å; C228-I230 VanDerWaalsContact C-N 3.33Å; C228-I230 PolarHBondContact O-N 3.22Å; C228-R231 PolarHBondContact O-N 3.39Å; C228-N232 VanDerWaalsContact O-CB 3.32Å; C228-N232 WeakPolarHBondContact O-CB 3.32Å; C228-N232 PolarHBondContact O-N 3.15Å |
| 229 | G | 86.3 | Confident | 80.8 | Confident | 16 Ų | 16 | 72.6 Ų | 72.6 | 17% | 0.165 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V225 L226 S233 | V225-G229 PolarHBondContact O-N 2.64Å; L226-G229 PolarHBondContact O-N 3.12Å; G229-S233 PolarHBondContact O-N 3.26Å; G229-S233 PolarHBondContact O-OG 3.32Å |
| 230 | I | 85.6 | Confident | 80.1 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 173.2 | -66.4 | 160.9 | 0 | 0 | 0 | 109.9 | E86 Q88 L226 C227 C228 N232 S233 | E86-I230 HydrophobicContact CB-CD1 3.85Å; E86-I230 HydrophobicContact CB-CG1 4.07Å; E86-I230 HydrophobicContact CG-CD1 4.34Å; E86-I230 HydrophobicContact CG-CG1 4.43Å; Q88-I230 HydrophobicContact CG-CB 4.41Å; Q88-I230 HydrophobicContact CG-CG2 3.81Å; L226-I230 HydrophobicContact CD1-CD1 4.3Å; L226-I230 HydrophobicContact CD1-CG1 4.42Å; L226-I230 HydrophobicContact CG-CD1 3.96Å; L226-I230 WeakPolarHBondContact O-CD1 3.3Å; L226-I230 VanDerWaalsContact O-CG1 3.23Å; L226-I230 WeakPolarHBondContact O-CG1 3.28Å; L226-I230 PolarHBondContact O-N 3.41Å; C227-I230 PolarHBondContact O-N 3.38Å; C228-I230 VanDerWaalsContact C-N 3.33Å; C228-I230 PolarHBondContact O-N 3.22Å; I230-N232 VanDerWaalsContact C-N 3.3Å; I230-N232 PolarHBondContact O-N 2.91Å; I230-S233 PolarHBondContact O-N 3.17Å |
| 231 | R | 85.3 | Confident | 79.2 | Confident | 172 Ų | 172 | 78.5 Ų | 78.5 | 65% | 0.649 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.8 | -40.8 | 179.9 | -165.8 | 166.6 | 59.8 | -179.4 | -4 | 112.8 | Q88 C227 C228 | Q88-R231 VanDerWaalsContact NE2-CB 3.3Å; C227-R231 PolarHBondContact O-N 3.02Å; C228-R231 PolarHBondContact O-N 3.39Å |
| 232 | N | 83.1 | Confident | 78.3 | Confident | 120 Ų | 120 | 78.1 Ų | 78.1 | 64% | 0.642 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -2.1 | -174.4 | -68.6 | 7.9 | 0 | 0 | 0 | 112.7 | C228 I230 P234 | C228-N232 VanDerWaalsContact O-CB 3.32Å; C228-N232 WeakPolarHBondContact O-CB 3.32Å; C228-N232 PolarHBondContact O-N 3.15Å; I230-N232 VanDerWaalsContact C-N 3.3Å; I230-N232 PolarHBondContact O-N 2.91Å; N232-P234 WeakPolarHBondContact O-CD 3.29Å |
| 233 | S | 75.3 | Confident | 77.3 | Confident | 51 Ų | 51 | 79.6 Ų | 79.6 | 36% | 0.357 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -74.6 | 109.1 | 171.4 | -73.8 | 0 | 0 | 0 | 0 | 108.2 | G229 I230 G235 | G229-S233 PolarHBondContact O-N 3.26Å; G229-S233 PolarHBondContact O-OG 3.32Å; I230-S233 PolarHBondContact O-N 3.17Å; S233-G235 PolarHBondContact O-N 3.29Å |
| 234 | P | 58.8 | Low | 76.1 | Confident | 110 Ų | 110 | 85.3 Ų | 85.3 | 71% | 0.714 | 46% | 0.458 | S | S | * | . | trans | -62.3 | 123.7 | -179.3 | 25.2 | -31.8 | 0 | 0 | 0 | 108.8 | N232 V236 | N232-P234 WeakPolarHBondContact O-CD 3.29Å; P234-V236 PolarHBondContact O-N 2.9Å | ||
| 235 | G | 55 | Low | 74.9 | Confident | 44 Ų | 44 | 85.3 Ų | 85.3 | 45% | 0.454 | 46% | 0.461 | S | S | . | . | trans | -60.5 | 107.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | S233 Y237 | S233-G235 PolarHBondContact O-N 3.29Å; G235-Y237 VanDerWaalsContact C-N 3.33Å; G235-Y237 PolarHBondContact O-N 2.83Å | ||
| 236 | V | 45.7 | Very low | 73.5 | Confident | 140 Ų | 140 | 87.3 Ų | 87.3 | 85% | 0.848 | 47% | 0.468 | S | S | * | . | trans | -69.6 | 100 | 168.5 | -177.1 | 0 | 0 | 0 | 0 | 105.2 | P234 | P234-V236 PolarHBondContact O-N 2.9Š| ||
| 237 | Y | 39.8 | Very low | 72 | Confident | 294 Ų | 294 | 95.3 Ų | 95.3 | 100% | 1.153 | 51% | 0.511 | S | S | * | . | trans | -61.5 | 0 | 166.7 | -76.2 | -83.7 | 0 | 0 | 0 | 110.1 | G235 | G235-Y237 VanDerWaalsContact C-N 3.33Å; G235-Y237 PolarHBondContact O-N 2.83Å |
Retrieved 237 of 237 residues in 514.6 ms
(Link to these results)