| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.3 | Very low | 53.2 | Low | 244 Ų | 244 | 155.4 Ų | 155.4 | 100% | 1.202 | 76% | 0.76 | S | S | * | * | 0 | 110 | 0 | -70.1 | 161.9 | 149.8 | 0 | 0 | 106.1 | |||||
| 2 | T | 35.7 | Very low | 55.7 | Low | 126 Ų | 126 | 154.5 Ų | 154.5 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | cis | -145.3 | 120.6 | 6 | -0.6 | 0 | 0 | 0 | 0 | 103.8 | F4 | T2-F4 PolarHBondContact O-N 2.74Š| ||
| 3 | K | 38 | Very low | 58 | Low | 217 Ų | 217 | 152.8 Ų | 152.8 | 94% | 0.943 | 74% | 0.74 | S | S | * | * | trans | -71.6 | 91.9 | 179.8 | -76.6 | 179.8 | 175.3 | 177 | 0 | 109 | G5 | K3-G5 PolarHBondContact O-N 3.06Š| ||
| 4 | F | 44.9 | Very low | 60 | Low | 193 Ų | 193 | 147.8 Ų | 147.8 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | trans | -73.9 | 108.4 | 160.7 | -99.5 | -85.3 | 0 | 0 | 0 | 108.2 | T2 F6 | T2-F4 PolarHBondContact O-N 2.74Å; F4-F6 PolarHBondContact O-N 3.48Å | ||
| 5 | G | 43.9 | Very low | 61.9 | Low | 80 Ų | 80 | 141.8 Ų | 141.8 | 83% | 0.825 | 69% | 0.688 | S | S | * | * | trans | -73.9 | 53.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | K3 L7 | K3-G5 PolarHBondContact O-N 3.06Å; G5-L7 PolarHBondContact O-N 3.42Å | ||
| 6 | F | 47.2 | Very low | 63.6 | Low | 178 Ų | 178 | 138.3 Ų | 138.3 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | trans | -89.7 | 100.2 | 170.8 | -118.9 | -100.1 | 0 | 0 | 0 | 110.2 | F4 | F4-F6 PolarHBondContact O-N 3.48Š| ||
| 7 | L | 54.8 | Low | 65.3 | Low | 91 Ų | 91 | 135 Ų | 135 | 48% | 0.476 | 66% | 0.663 | S | S | . | * | trans | 67.2 | 112.1 | 165.6 | -64.8 | 148.5 | 0 | 0 | 0 | 117.2 | G5 L9 Q14 L17 | G5-L7 PolarHBondContact O-N 3.42Å; L7-L9 HydrophobicContact CB-CB 4.39Å; L7-L9 HydrophobicContact CB-CD1 3.68Å; L7-L9 HydrophobicContact CB-CG 3.95Å; L7-L9 HydrophobicContact CD1-CD1 3.96Å; L7-L9 HydrophobicContact CD2-CD1 3.91Å; L7-L9 HydrophobicContact CD2-CG 4.36Å; L7-L9 HydrophobicContact CG-CD1 4.06Å; L7-L9 PolarHBondContact O-N 3.04Å; L7-Q14 PolarHBondContact O-NE2 3.19Å; L7-L17 HydrophobicContact CD1-CD2 4.07Å | ||
| 8 | R | 58.2 | Low | 66.7 | Low | 269 Ų | 269 | 133.1 Ų | 133.1 | 100% | 1.015 | 66% | 0.655 | S | S | * | * | trans | -66.3 | 48.8 | 162.9 | -72 | -174.8 | 176.7 | -179.5 | -0 | 112.3 | ||||
| 9 | L | 67.9 | Low | 68.1 | Low | 57 Ų | 57 | 128.7 Ų | 128.7 | 30% | 0.298 | 63% | 0.632 | S | S | . | * | trans | -89 | 146.7 | 175.1 | -76.3 | 165.3 | 0 | 0 | 0 | 109.5 | L7 K13 Q14 L17 | L7-L9 HydrophobicContact CB-CB 4.39Å; L7-L9 HydrophobicContact CB-CD1 3.68Å; L7-L9 HydrophobicContact CB-CG 3.95Å; L7-L9 HydrophobicContact CD1-CD1 3.96Å; L7-L9 HydrophobicContact CD2-CD1 3.91Å; L7-L9 HydrophobicContact CD2-CG 4.36Å; L7-L9 HydrophobicContact CG-CD1 4.06Å; L7-L9 PolarHBondContact O-N 3.04Å; L9-K13 HydrophobicContact CB-CB 4.08Å; L9-K13 HydrophobicContact CD2-CB 3.98Å; L9-K13 HydrophobicContact CD2-CD 3.73Å; L9-Q14 HydrophobicContact CB-CG 3.75Å; L9-L17 HydrophobicContact CD1-CD2 4.14Å | ||
| 10 | S | 78.3 | Confident | 69.3 | Low | 68 Ų | 68 | 128.1 Ų | 128.1 | 48% | 0.476 | 63% | 0.631 | S | S | . | * | trans | -55.1 | 148.1 | 167.7 | 174.7 | 0 | 0 | 0 | 0 | 109.9 | E12 K13 Q14 | S10-E12 PolarHBondContact O-N 3.43Å; S10-K13 WeakPolarHBondContact O-CA 3.42Å; S10-K13 WeakPolarHBondContact O-CB 3.38Å; S10-K13 PolarHBondContact O-N 3.01Å; S10-Q14 PolarHBondContact O-N 3.07Å | ||
| 11 | Y | 80.9 | Confident | 70.4 | Confident | 186 Ų | 186 | 125.9 Ų | 125.9 | 73% | 0.729 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -51.3 | -40.7 | 178.7 | -178.6 | -97.3 | 0 | 0 | 0 | 112.3 | K13 Q14 D15 | Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.1Å; Y11-Q14 PolarHBondContact O-N 3.1Å; Y11-D15 WeakPolarHBondContact O-CB 3.34Å; Y11-D15 PolarHBondContact O-N 3.4Å |
| 12 | E | 83.4 | Confident | 73.2 | Confident | 145 Ų | 145 | 117 Ų | 117 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.8 | -37.3 | 176.3 | -64 | 179.5 | 167.8 | 0 | 0 | 113 | S10 T16 | S10-E12 PolarHBondContact O-N 3.43Å; E12-T16 WeakPolarHBondContact O-CB 3.1Å; E12-T16 PolarHBondContact O-N 2.76Å; E12-T16 PolarHBondContact O-OG1 3.34Å |
| 13 | K | 85.2 | Confident | 76 | Confident | 133 Ų | 133 | 112.2 Ų | 112.2 | 58% | 0.578 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71.4 | -37.1 | 176.4 | -68 | -173.4 | -180 | -177 | 0 | 110.9 | L9 S10 Y11 L17 | L9-K13 HydrophobicContact CB-CB 4.08Å; L9-K13 HydrophobicContact CD2-CB 3.98Å; L9-K13 HydrophobicContact CD2-CD 3.73Å; S10-K13 WeakPolarHBondContact O-CA 3.42Å; S10-K13 WeakPolarHBondContact O-CB 3.38Å; S10-K13 PolarHBondContact O-N 3.01Å; Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.1Å; K13-L17 VanDerWaalsContact O-CB 3.24Å; K13-L17 WeakPolarHBondContact O-CB 3.49Å; K13-L17 PolarHBondContact O-N 2.96Å |
| 14 | Q | 85.7 | Confident | 78.6 | Confident | 82 Ų | 82 | 104.6 Ų | 104.6 | 38% | 0.383 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 174.8 | -68.8 | -179.6 | -23.8 | 0 | 0 | 111.3 | L7 L9 S10 Y11 L17 L18 | L7-Q14 PolarHBondContact O-NE2 3.19Å; L9-Q14 HydrophobicContact CB-CG 3.75Å; S10-Q14 PolarHBondContact O-N 3.07Å; Y11-Q14 PolarHBondContact O-N 3.1Å; Q14-L17 PolarHBondContact O-N 3.37Å; Q14-L18 WeakPolarHBondContact O-CB 3.32Å; Q14-L18 PolarHBondContact O-N 3.05Å |
| 15 | D | 88.8 | Confident | 81 | Confident | 58 Ų | 58 | 101.1 Ų | 101.1 | 31% | 0.31 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 176 | 173.4 | 55.6 | 0 | 0 | 0 | 112 | Y11 L18 K19 | Y11-D15 WeakPolarHBondContact O-CB 3.34Å; Y11-D15 PolarHBondContact O-N 3.4Å; D15-L18 PolarHBondContact O-N 3Å; D15-K19 VanDerWaalsContact CG-NZ 3.28Å; D15-K19 WeakPolarHBondContact O-CB 3.46Å; D15-K19 VanDerWaalsContact O-CG 3.3Å; D15-K19 WeakPolarHBondContact O-CG 3.38Å; D15-K19 PolarHBondContact O-N 3.12Å; D15-K19 WeakPolarHBondContact OD1-CE 3.39Å; D15-K19 IonicContact OD1-NZ 2.66Å; D15-K19 PolarHBondContact OD1-NZ 2.93Å; D15-K19 WeakPolarHBondContact OD2-CE 3.37Å; D15-K19 IonicContact OD2-NZ 3.04Å; D15-K19 PolarHBondContact OD2-NZ 2.77Å |
| 16 | T | 89.8 | Confident | 83.4 | Confident | 86 Ų | 86 | 97.7 Ų | 97.7 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | E12 L18 K19 L20 | E12-T16 WeakPolarHBondContact O-CB 3.1Å; E12-T16 PolarHBondContact O-N 2.76Å; E12-T16 PolarHBondContact O-OG1 3.34Å; T16-L18 VanDerWaalsContact C-N 3.35Å; T16-K19 PolarHBondContact O-N 3.1Å; T16-L20 WeakPolarHBondContact O-CB 3.21Å; T16-L20 PolarHBondContact O-N 2.94Å |
| 17 | L | 91.4 | Very high | 85.6 | Confident | 82 Ų | 82 | 90 Ų | 90 | 43% | 0.429 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 177.1 | -178.9 | 66.4 | 0 | 0 | 0 | 111.2 | L7 L9 K13 Q14 L20 L21 | L7-L17 HydrophobicContact CD1-CD2 4.07Å; L9-L17 HydrophobicContact CD1-CD2 4.14Å; K13-L17 VanDerWaalsContact O-CB 3.24Å; K13-L17 WeakPolarHBondContact O-CB 3.49Å; K13-L17 PolarHBondContact O-N 2.96Å; Q14-L17 PolarHBondContact O-N 3.37Å; L17-L20 PolarHBondContact O-N 2.88Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 PolarHBondContact O-N 3.47Å |
| 18 | L | 91.5 | Very high | 87.5 | Confident | 100 Ų | 100 | 90.4 Ų | 90.4 | 52% | 0.524 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 177.6 | -176.4 | 64.8 | 0 | 0 | 0 | 111.4 | Q14 D15 T16 L20 L21 I22 | Q14-L18 WeakPolarHBondContact O-CB 3.32Å; Q14-L18 PolarHBondContact O-N 3.05Å; D15-L18 PolarHBondContact O-N 3Å; T16-L18 VanDerWaalsContact C-N 3.35Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-L20 PolarHBondContact O-N 3.27Å; L18-L21 PolarHBondContact O-N 3.42Å; L18-I22 HydrophobicContact CD1-CD1 4.07Å; L18-I22 HydrophobicContact CD1-CG1 4.39Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 VanDerWaalsContact O-CG1 3.29Å; L18-I22 WeakPolarHBondContact O-CG1 3.2Å; L18-I22 PolarHBondContact O-N 3.14Å |
| 19 | K | 92.5 | Very high | 89.2 | Confident | 51 Ų | 51 | 81 Ų | 81 | 22% | 0.222 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 175.2 | -75.9 | 164.8 | 179.9 | 167.3 | 0 | 111.8 | D15 T16 I22 L23 L145 | D15-K19 VanDerWaalsContact CG-NZ 3.28Å; D15-K19 WeakPolarHBondContact O-CB 3.46Å; D15-K19 VanDerWaalsContact O-CG 3.3Å; D15-K19 WeakPolarHBondContact O-CG 3.38Å; D15-K19 PolarHBondContact O-N 3.12Å; D15-K19 WeakPolarHBondContact OD1-CE 3.39Å; D15-K19 IonicContact OD1-NZ 2.66Å; D15-K19 PolarHBondContact OD1-NZ 2.93Å; D15-K19 WeakPolarHBondContact OD2-CE 3.37Å; D15-K19 IonicContact OD2-NZ 3.04Å; D15-K19 PolarHBondContact OD2-NZ 2.77Å; T16-K19 PolarHBondContact O-N 3.1Å; K19-I22 PolarHBondContact O-N 3.32Å; K19-L23 WeakPolarHBondContact O-CB 3.38Å; K19-L23 VanDerWaalsContact O-CG 3.27Å; K19-L23 WeakPolarHBondContact O-CG 3.39Å; K19-L23 PolarHBondContact O-N 3.47Å; K19-L145 HydrophobicContact CG-CD1 4.13Å |
| 20 | L | 92.1 | Very high | 90.5 | Very high | 115 Ų | 115 | 78.3 Ų | 78.3 | 60% | 0.602 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.3 | -40.7 | 179.7 | -172.4 | 145.8 | 0 | 0 | 0 | 111.6 | T16 L17 L18 L23 S24 | T16-L20 WeakPolarHBondContact O-CB 3.21Å; T16-L20 PolarHBondContact O-N 2.94Å; L17-L20 PolarHBondContact O-N 2.88Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-L20 PolarHBondContact O-N 3.27Å; L20-L23 PolarHBondContact O-N 2.79Å; L20-S24 WeakPolarHBondContact O-CB 3.34Å; L20-S24 PolarHBondContact O-N 2.93Å; L20-S24 PolarHBondContact O-OG 2.91Å |
| 21 | L | 93.7 | Very high | 91.2 | Very high | 83 Ų | 83 | 78.4 Ų | 78.4 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 177.5 | -176.6 | 144.4 | 0 | 0 | 0 | 112.2 | L17 L18 S24 M25 | L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 PolarHBondContact O-N 3.47Å; L18-L21 PolarHBondContact O-N 3.42Å; L21-S24 WeakPolarHBondContact CA-OG 3.18Å; L21-S24 PolarHBondContact O-N 3.49Å; L21-S24 PolarHBondContact O-OG 2.84Å; L21-M25 HydrophobicContact CD2-CG 4.39Å; L21-M25 HydrophobicContact CD2-SD 3.51Å; L21-M25 VanDerWaalsContact CD2-SD 3.51Å; L21-M25 HydrophobicContact CG-SD 4.3Å; L21-M25 WeakPolarHBondContact O-CB 3.23Å; L21-M25 VanDerWaalsContact O-CG 3.25Å; L21-M25 WeakPolarHBondContact O-CG 3.42Å; L21-M25 PolarHBondContact O-N 3.46Å |
| 22 | I | 93.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 72 Ų | 72 | 29% | 0.287 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 176.8 | -67.3 | 167 | 0 | 0 | 0 | 110.4 | L18 K19 M25 A26 L145 | L18-I22 HydrophobicContact CD1-CD1 4.07Å; L18-I22 HydrophobicContact CD1-CG1 4.39Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 VanDerWaalsContact O-CG1 3.29Å; L18-I22 WeakPolarHBondContact O-CG1 3.2Å; L18-I22 PolarHBondContact O-N 3.14Å; K19-I22 PolarHBondContact O-N 3.32Å; I22-M25 PolarHBondContact O-N 2.94Å; I22-A26 VanDerWaalsContact O-CB 3.3Å; I22-A26 WeakPolarHBondContact O-CB 3.23Å; I22-A26 PolarHBondContact O-N 3.34Å; I22-L145 HydrophobicContact CB-CD2 4.26Å; I22-L145 HydrophobicContact CD1-CD1 4.02Å; I22-L145 HydrophobicContact CG2-CB 4.4Å; I22-L145 HydrophobicContact CG2-CD2 3.98Å |
| 23 | L | 93.4 | Very high | 92.3 | Very high | 26 Ų | 26 | 65.6 Ų | 65.6 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.3 | -40 | 178.5 | -72.6 | 171 | 0 | 0 | 0 | 112.5 | K19 L20 A26 A27 Y132 L145 A148 | K19-L23 WeakPolarHBondContact O-CB 3.38Å; K19-L23 VanDerWaalsContact O-CG 3.27Å; K19-L23 WeakPolarHBondContact O-CG 3.39Å; K19-L23 PolarHBondContact O-N 3.47Å; L20-L23 PolarHBondContact O-N 2.79Å; L23-A26 PolarHBondContact O-N 2.83Å; L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 3.46Å; L23-Y132 HydrophobicContact CD1-CD1 3.74Å; L23-Y132 HydrophobicContact CD1-CD2 4.32Å; L23-Y132 HydrophobicContact CD1-CE1 3.74Å; L23-Y132 HydrophobicContact CD1-CE2 4.38Å; L23-Y132 HydrophobicContact CD1-CG 4.03Å; L23-Y132 HydrophobicContact CD2-CD1 4.17Å; L23-Y132 HydrophobicContact CD2-CD2 3.95Å; L23-Y132 HydrophobicContact CD2-CG 3.68Å; L23-Y132 HydrophobicContact CG-CG 4.47Å; L23-L145 HydrophobicContact CD1-CD2 4.31Å; L23-L145 HydrophobicContact CD2-CD2 3.88Å; L23-L145 HydrophobicContact CG-CD2 3.73Å; L23-A148 HydrophobicContact CD2-CB 4.05Å |
| 24 | S | 93.7 | Very high | 92.7 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 176.2 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | L20 L21 A27 V28 | L20-S24 WeakPolarHBondContact O-CB 3.34Å; L20-S24 PolarHBondContact O-N 2.93Å; L20-S24 PolarHBondContact O-OG 2.91Å; L21-S24 WeakPolarHBondContact CA-OG 3.18Å; L21-S24 PolarHBondContact O-N 3.49Å; L21-S24 PolarHBondContact O-OG 2.84Å; S24-A27 PolarHBondContact O-N 3.27Å; S24-V28 VanDerWaalsContact O-CG2 3.3Å; S24-V28 WeakPolarHBondContact O-CG2 3.46Å; S24-V28 PolarHBondContact O-N 2.99Å |
| 25 | M | 94.8 | Very high | 93.1 | Very high | 121 Ų | 121 | 57 Ų | 57 | 60% | 0.596 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 173.4 | -73.8 | -179.3 | 69.3 | 0 | 0 | 112 | L21 I22 A27 V28 L29 | L21-M25 HydrophobicContact CD2-CG 4.39Å; L21-M25 HydrophobicContact CD2-SD 3.51Å; L21-M25 VanDerWaalsContact CD2-SD 3.51Å; L21-M25 HydrophobicContact CG-SD 4.3Å; L21-M25 WeakPolarHBondContact O-CB 3.23Å; L21-M25 VanDerWaalsContact O-CG 3.25Å; L21-M25 WeakPolarHBondContact O-CG 3.42Å; L21-M25 PolarHBondContact O-N 3.46Å; I22-M25 PolarHBondContact O-N 2.94Å; M25-A27 VanDerWaalsContact C-N 3.35Å; M25-A27 PolarHBondContact O-N 2.89Å; M25-V28 PolarHBondContact O-N 2.64Å; M25-L29 VanDerWaalsContact O-CB 3.23Å; M25-L29 WeakPolarHBondContact O-CB 3.39Å; M25-L29 PolarHBondContact O-N 2.82Å |
| 26 | A | 94.2 | Very high | 93.2 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I22 L23 L29 S30 T128 A152 | I22-A26 VanDerWaalsContact O-CB 3.3Å; I22-A26 WeakPolarHBondContact O-CB 3.23Å; I22-A26 PolarHBondContact O-N 3.34Å; L23-A26 PolarHBondContact O-N 2.83Å; A26-L29 PolarHBondContact O-N 2.82Å; A26-S30 WeakPolarHBondContact O-CB 3.46Å; A26-S30 PolarHBondContact O-N 3.43Å; A26-T128 HydrophobicContact CB-CG2 3.84Å; A26-A152 WeakPolarHBondContact O-CB 3.48Å |
| 27 | A | 94.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 52.7 Ų | 52.7 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L23 S24 M25 L29 S30 F31 S125 | L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 3.46Å; S24-A27 PolarHBondContact O-N 3.27Å; M25-A27 VanDerWaalsContact C-N 3.35Å; M25-A27 PolarHBondContact O-N 2.89Å; A27-L29 VanDerWaalsContact C-N 3.34Å; A27-L29 PolarHBondContact O-N 3.35Å; A27-S30 WeakPolarHBondContact O-CB 3.42Å; A27-S30 PolarHBondContact O-N 2.93Å; A27-F31 PolarHBondContact O-N 3.43Å; A27-S125 PolarHBondContact O-OG 3.3Å |
| 28 | V | 95.1 | Very high | 93 | Very high | 100 Ų | 100 | 50 Ų | 50 | 61% | 0.606 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | S24 M25 S30 F31 S32 | S24-V28 VanDerWaalsContact O-CG2 3.3Å; S24-V28 WeakPolarHBondContact O-CG2 3.46Å; S24-V28 PolarHBondContact O-N 2.99Å; M25-V28 PolarHBondContact O-N 2.64Å; V28-S30 VanDerWaalsContact C-N 3.33Å; V28-F31 PolarHBondContact O-N 3.34Å; V28-S32 WeakPolarHBondContact O-CB 3.45Å; V28-S32 PolarHBondContact O-N 3.46Å; V28-S32 PolarHBondContact O-OG 3.04Å |
| 29 | L | 93.8 | Very high | 92.9 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.6 | -175.9 | 64 | 0 | 0 | 0 | 111.1 | M25 A26 A27 F31 S32 T33 V153 | M25-L29 VanDerWaalsContact O-CB 3.23Å; M25-L29 WeakPolarHBondContact O-CB 3.39Å; M25-L29 PolarHBondContact O-N 2.82Å; A26-L29 PolarHBondContact O-N 2.82Å; A27-L29 VanDerWaalsContact C-N 3.34Å; A27-L29 PolarHBondContact O-N 3.35Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 3.11Å; L29-S32 WeakPolarHBondContact CA-OG 3.31Å; L29-S32 PolarHBondContact O-N 3.12Å; L29-S32 PolarHBondContact O-OG 2.82Å; L29-T33 HydrophobicContact CD1-CG2 3.97Å; L29-T33 HydrophobicContact CG-CG2 4.3Å; L29-T33 WeakPolarHBondContact O-CB 3.32Å; L29-T33 VanDerWaalsContact O-CG2 3.3Å; L29-T33 WeakPolarHBondContact O-CG2 3.43Å; L29-T33 PolarHBondContact O-N 2.94Å; L29-T33 PolarHBondContact O-OG1 2.79Å; L29-V153 HydrophobicContact CD2-CG1 3.58Å; L29-V153 HydrophobicContact CG-CG1 3.86Å |
| 30 | S | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 176.4 | -168.2 | 0 | 0 | 0 | 0 | 112 | A26 A27 V28 T33 R34 S124 | A26-S30 WeakPolarHBondContact O-CB 3.46Å; A26-S30 PolarHBondContact O-N 3.43Å; A27-S30 WeakPolarHBondContact O-CB 3.42Å; A27-S30 PolarHBondContact O-N 2.93Å; V28-S30 VanDerWaalsContact C-N 3.33Å; S30-T33 PolarHBondContact O-OG1 3.36Å; S30-R34 WeakPolarHBondContact O-CD 3.39Å; S30-R34 PolarHBondContact O-NH1 3.04Å; S30-R34 PolarHBondContact OG-NH1 2.84Å; S30-S124 PolarHBondContact OG-OG 2.94Å |
| 31 | F | 94.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 31% | 0.307 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.4 | -51.9 | 175.3 | -170.4 | -89.2 | 0 | 0 | 0 | 112.1 | A27 V28 L29 T33 R34 L35 F118 P121 | A27-F31 PolarHBondContact O-N 3.43Å; V28-F31 PolarHBondContact O-N 3.34Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 3.11Å; F31-T33 PolarHBondContact O-N 3.27Å; F31-R34 PolarHBondContact O-N 2.92Å; F31-L35 HydrophobicContact CD1-CD1 3.96Å; F31-L35 HydrophobicContact CD1-CD2 4.48Å; F31-L35 HydrophobicContact CD1-CG 4.41Å; F31-L35 HydrophobicContact CE1-CD1 3.78Å; F31-L35 HydrophobicContact CE1-CD2 4Å; F31-L35 HydrophobicContact CE1-CG 4.3Å; F31-L35 HydrophobicContact CZ-CD2 4.4Å; F31-F118 HydrophobicContact CZ-CD1 4.35Å; F31-P121 HydrophobicContact CD2-CB 3.49Å; F31-P121 VanDerWaalsContact CD2-CB 3.49Å; F31-P121 HydrophobicContact CE2-CB 3.62Å; F31-P121 HydrophobicContact CG-CB 4.15Å; F31-P121 HydrophobicContact CZ-CB 4.37Å |
| 32 | S | 93.8 | Very high | 91.8 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 37% | 0.371 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | -173.2 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | V28 L29 R34 L35 | V28-S32 WeakPolarHBondContact O-CB 3.45Å; V28-S32 PolarHBondContact O-N 3.46Å; V28-S32 PolarHBondContact O-OG 3.04Å; L29-S32 WeakPolarHBondContact CA-OG 3.31Å; L29-S32 PolarHBondContact O-N 3.12Å; L29-S32 PolarHBondContact O-OG 2.82Å; S32-R34 PolarHBondContact O-N 3.34Å; S32-R34 VanDerWaalsContact O-N 3.15Å; S32-L35 PolarHBondContact O-N 3.47Å |
| 33 | T | 92.7 | Very high | 91.6 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.9 | 178.4 | 47.9 | 0 | 0 | 0 | 0 | 113.7 | L29 S30 F31 F36 V153 T479 | L29-T33 HydrophobicContact CD1-CG2 3.97Å; L29-T33 HydrophobicContact CG-CG2 4.3Å; L29-T33 WeakPolarHBondContact O-CB 3.32Å; L29-T33 VanDerWaalsContact O-CG2 3.3Å; L29-T33 WeakPolarHBondContact O-CG2 3.43Å; L29-T33 PolarHBondContact O-N 2.94Å; L29-T33 PolarHBondContact O-OG1 2.79Å; S30-T33 PolarHBondContact O-OG1 3.36Å; F31-T33 PolarHBondContact O-N 3.27Å; T33-F36 WeakPolarHBondContact O-CD2 3.43Å; T33-F36 WeakPolarHBondContact O-CE2 3.36Å; T33-V153 HydrophobicContact CG2-CG1 4.33Å; T33-T479 VanDerWaalsContact O-CG2 3.24Å; T33-T479 WeakPolarHBondContact O-CG2 3.1Å |
| 34 | R | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 0.1 | -178.7 | -72.5 | 162.7 | 172.4 | 73.6 | 3.8 | 114.1 | S30 F31 S32 P121 S124 A152 I158 S161 A163 | S30-R34 WeakPolarHBondContact O-CD 3.39Å; S30-R34 PolarHBondContact O-NH1 3.04Å; S30-R34 PolarHBondContact OG-NH1 2.84Å; F31-R34 PolarHBondContact O-N 2.92Å; S32-R34 PolarHBondContact O-N 3.34Å; S32-R34 VanDerWaalsContact O-N 3.15Å; R34-P121 HydrophobicContact CB-CB 4.34Å; R34-P121 HydrophobicContact CB-CG 4.01Å; R34-S124 PolarHBondContact NE-OG 2.92Å; R34-S124 PolarHBondContact NH1-OG 2.86Å; R34-S124 PolarHBondContact NH2-OG 2.98Å; R34-A152 PolarHBondContact NH1-O 3.09Å; R34-I158 HydrophobicContact CG-CG2 4.45Å; R34-I158 VanDerWaalsContact NH2-CG1 3.3Å; R34-S161 WeakPolarHBondContact CD-O 3.3Å; R34-S161 PolarHBondContact NE-OG 3.39Å; R34-S161 PolarHBondContact NH2-OG 3.29Å; R34-A163 VanDerWaalsContact O-CB 3.26Å; R34-A163 WeakPolarHBondContact O-CB 3.31Å; R34-A163 PolarHBondContact O-N 3.26Å |
| 35 | L | 93.8 | Very high | 91 | Very high | 33 Ų | 33 | 46.4 Ų | 46.4 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | trans | -92.3 | -3.4 | -173.5 | -59.8 | 179.3 | 0 | 0 | 0 | 114.5 | F31 S32 A37 V38 L39 F118 A163 | F31-L35 HydrophobicContact CD1-CD1 3.96Å; F31-L35 HydrophobicContact CD1-CD2 4.48Å; F31-L35 HydrophobicContact CD1-CG 4.41Å; F31-L35 HydrophobicContact CE1-CD1 3.78Å; F31-L35 HydrophobicContact CE1-CD2 4Å; F31-L35 HydrophobicContact CE1-CG 4.3Å; F31-L35 HydrophobicContact CZ-CD2 4.4Å; S32-L35 PolarHBondContact O-N 3.47Å; L35-A37 VanDerWaalsContact C-N 3.28Å; L35-A37 PolarHBondContact O-N 3.45Å; L35-V38 PolarHBondContact O-N 3.27Å; L35-V38 VanDerWaalsContact O-N 3.15Å; L35-L39 HydrophobicContact CB-CD1 4.17Å; L35-L39 HydrophobicContact CB-CG 4.32Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 3.46Å; L35-F118 HydrophobicContact CD2-CD1 4.11Å; L35-F118 HydrophobicContact CD2-CE1 3.9Å; L35-A163 HydrophobicContact CD2-CB 4.07Å | ||
| 36 | F | 91.1 | Very high | 90.5 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 24% | 0.237 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.6 | -37.9 | -174.8 | -73.8 | -71.5 | 0 | 0 | 0 | 113.6 | T33 L39 R40 T476 T479 S484 | T33-F36 WeakPolarHBondContact O-CD2 3.43Å; T33-F36 WeakPolarHBondContact O-CE2 3.36Å; F36-L39 PolarHBondContact O-N 3.32Å; F36-R40 WeakPolarHBondContact O-CB 3.45Å; F36-R40 VanDerWaalsContact O-CG 3.26Å; F36-R40 WeakPolarHBondContact O-CG 3.29Å; F36-R40 PolarHBondContact O-N 2.94Å; F36-T476 HydrophobicContact CE2-CG2 4.43Å; F36-T476 HydrophobicContact CZ-CG2 4.12Å; F36-T479 HydrophobicContact CD2-CG2 3.92Å; F36-T479 HydrophobicContact CE2-CG2 4.3Å; F36-S484 WeakPolarHBondContact CB-OG 3.28Å |
| 37 | A | 87.3 | Confident | 90.1 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L35 L39 R40 F41 H46 V162 | L35-A37 VanDerWaalsContact C-N 3.28Å; L35-A37 PolarHBondContact O-N 3.45Å; A37-L39 PolarHBondContact O-N 2.81Å; A37-R40 PolarHBondContact O-N 3.36Å; A37-F41 WeakPolarHBondContact O-CB 3.35Å; A37-F41 WeakPolarHBondContact O-CD2 3.36Å; A37-F41 PolarHBondContact O-N 3.08Å; A37-H46 WeakPolarHBondContact CB-NE2 3.26Å; A37-V162 HydrophobicContact CB-CG1 3.93Å |
| 38 | V | 89.5 | Confident | 89.7 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 16% | 0.158 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 112 | L35 V117 F118 A163 | L35-V38 PolarHBondContact O-N 3.27Å; L35-V38 VanDerWaalsContact O-N 3.15Å; V38-V117 HydrophobicContact CG2-CG1 3.97Å; V38-F118 HydrophobicContact CG1-CE1 4.38Å; V38-F118 HydrophobicContact CG1-CZ 4.25Å; V38-A163 HydrophobicContact CG2-CB 3.61Å |
| 39 | L | 88.6 | Confident | 89.5 | Confident | 137 Ų | 137 | 43.4 Ų | 43.4 | 72% | 0.717 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -73.7 | -33 | 179.2 | -70.8 | 172.9 | 0 | 0 | 0 | 113.3 | L35 F36 A37 | L35-L39 HydrophobicContact CB-CD1 4.17Å; L35-L39 HydrophobicContact CB-CG 4.32Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 3.46Å; F36-L39 PolarHBondContact O-N 3.32Å; A37-L39 PolarHBondContact O-N 2.81Å |
| 40 | R | 85 | Confident | 89.4 | Confident | 75 Ų | 75 | 40 Ų | 40 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -84.5 | -32 | -179 | -73.1 | 173.9 | 172.4 | -162.3 | -3.5 | 112.8 | F36 A37 S480 E481 | F36-R40 WeakPolarHBondContact O-CB 3.45Å; F36-R40 VanDerWaalsContact O-CG 3.26Å; F36-R40 WeakPolarHBondContact O-CG 3.29Å; F36-R40 PolarHBondContact O-N 2.94Å; A37-R40 PolarHBondContact O-N 3.36Å; R40-S480 PolarHBondContact NH1-O 3.34Å; R40-S480 PolarHBondContact NH2-O 2.8Å; R40-S480 PolarHBondContact NH2-OG 3.22Å; R40-E481 IonicContact CZ-OE1 2.8Å; R40-E481 IonicContact NH1-OE1 2.67Å; R40-E481 IonicContact NH2-OE1 3.11Å; R40-E481 PolarHBondContact NH2-OE1 2.88Å |
| 41 | F | 84.4 | Confident | 89.3 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 18% | 0.18 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -121.4 | -126.8 | -175.8 | -57.6 | -81.8 | 0 | 0 | 0 | 109.2 | A37 P486 V489 | A37-F41 WeakPolarHBondContact O-CB 3.35Å; A37-F41 WeakPolarHBondContact O-CD2 3.36Å; A37-F41 PolarHBondContact O-N 3.08Å; F41-P486 HydrophobicContact CB-CG 4.43Å; F41-P486 HydrophobicContact CD1-CG 4.02Å; F41-P486 VanDerWaalsContact CD2-CD 3.44Å; F41-P486 HydrophobicContact CD2-CG 3.64Å; F41-P486 HydrophobicContact CE1-CG 4.12Å; F41-P486 HydrophobicContact CE2-CG 3.77Å; F41-P486 HydrophobicContact CG-CG 3.78Å; F41-P486 HydrophobicContact CZ-CG 4Å; F41-V489 HydrophobicContact CD1-CG1 4.37Å |
| 42 | E | 86.7 | Confident | 89.3 | Confident | 98 Ų | 98 | 37.9 Ų | 37.9 | 46% | 0.458 | 19% | 0.191 | S | C | . | . | trans | -121.8 | 161.1 | -179.2 | -66.3 | 171.2 | -166.4 | 0 | 0 | 109.8 | V44 R506 | E42-V44 HydrophobicContact CB-CG1 3.92Å; E42-V44 HydrophobicContact CB-CG2 4.48Å; E42-V44 PolarHBondContact O-N 2.97Å; E42-R506 IonicContact OE1-NH1 2.89Å; E42-R506 IonicContact OE1-NH2 2.66Å; E42-R506 IonicContact OE2-CZ 3.17Å; E42-R506 IonicContact OE2-NH1 3.41Å; E42-R506 PolarHBondContact OE2-NH1 3.09Å; E42-R506 IonicContact OE2-NH2 3.8Å | ||
| 43 | S | 88.3 | Confident | 89.3 | Confident | 36 Ų | 36 | 35.7 Ų | 35.7 | 25% | 0.252 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -73.9 | 72.8 | 169.2 | 60.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 44 | V | 86 | Confident | 89.3 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 12% | 0.115 | 18% | 0.18 | C | C | . | . | trans | -117.3 | 159.2 | 177.7 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | E42 H46 G164 | E42-V44 HydrophobicContact CB-CG1 3.92Å; E42-V44 HydrophobicContact CB-CG2 4.48Å; E42-V44 PolarHBondContact O-N 2.97Å; V44-H46 PolarHBondContact O-CE1 3.45Å; V44-G164 WeakPolarHBondContact O-CA 3.19Å | ||
| 45 | I | 89.8 | Confident | 89.3 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | trans | -71.9 | 145.1 | 173.4 | -66.7 | 165.9 | 0 | 0 | 0 | 108.2 | P50 Y51 Y54 V117 G164 I488 | I45-P50 HydrophobicContact CG2-CB 3.35Å; I45-Y51 HydrophobicContact CB-CE1 4.29Å; I45-Y51 HydrophobicContact CG2-CD2 4.37Å; I45-Y51 HydrophobicContact CG2-CE1 4.46Å; I45-Y51 HydrophobicContact CG2-CE2 4.21Å; I45-Y51 PolarHBondContact O-OH 3.05Å; I45-Y51 VanDerWaalsContact O-OH 3.07Å; I45-Y54 HydrophobicContact CD1-CD1 3.63Å; I45-Y54 HydrophobicContact CD1-CD2 3.59Å; I45-Y54 HydrophobicContact CD1-CE1 4.35Å; I45-Y54 HydrophobicContact CD1-CE2 4.33Å; I45-Y54 HydrophobicContact CD1-CG 3.18Å; I45-V117 HydrophobicContact CG1-CG2 4.33Å; I45-G164 WeakPolarHBondContact CA-O 3.45Å; I45-I488 WeakPolarHBondContact O-CD1 3.43Å | ||
| 46 | H | 84.7 | Confident | 89.2 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | trans | -115.1 | 165.7 | 178.7 | -56.5 | -37 | 0 | 0 | 0 | 110.2 | A37 V44 P50 A163 G164 P486 | A37-H46 WeakPolarHBondContact CB-NE2 3.26Å; V44-H46 PolarHBondContact O-CE1 3.45Å; H46-P50 WeakPolarHBondContact O-CB 3.16Å; H46-P50 WeakPolarHBondContact O-CD 3.49Å; H46-P50 WeakPolarHBondContact O-CG 3.39Å; H46-A163 PolarHBondContact CD2-O 2.73Å; H46-A163 VanDerWaalsContact CD2-O 3.31Å; H46-A163 PolarHBondContact NE2-O 2.86Å; H46-G164 PolarHBondContact N-O 3.06Å; H46-P486 WeakPolarHBondContact ND1-CB 3.33Å | ||
| 47 | E | 85.2 | Confident | 89.4 | Confident | 75 Ų | 75 | 34.7 Ų | 34.7 | 35% | 0.35 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 64.9 | 178 | -178.6 | -62.4 | -61.8 | 154.3 | 0 | 0 | 114.2 | P50 Y51 S487 | E47-P50 HydrophobicContact CB-CG 4.19Å; E47-Y51 WeakPolarHBondContact O-CD2 3.21Å; E47-Y51 WeakPolarHBondContact O-CE2 3.42Å; E47-S487 VanDerWaalsContact CA-OG 3.32Å; E47-S487 WeakPolarHBondContact CA-OG 3.43Å; E47-S487 PolarHBondContact N-OG 3.39Å |
| 48 | F | 86.8 | Confident | 89.7 | Confident | 48 Ų | 48 | 39.8 Ų | 39.8 | 21% | 0.211 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -86.1 | -49.5 | -178.1 | -55.3 | -83.5 | 0 | 0 | 0 | 112.1 | Y51 D527 Y528 Y530 Q531 N544 | F48-Y51 PolarHBondContact O-N 2.9Å; F48-D527 WeakPolarHBondContact CD1-O 3.45Å; F48-Y528 HydrophobicContact CD1-CD1 4.46Å; F48-Y528 AromaticContact CE1-CD1 3.85Å; F48-Y528 HydrophobicContact CE1-CD1 3.85Å; F48-Y528 HydrophobicContact CE1-CE1 4.19Å; F48-Y530 WeakPolarHBondContact O-CB 2.91Å; F48-Q531 VanDerWaalsContact CD1-CD 3.45Å; F48-Q531 HydrophobicContact CD1-CG 4.01Å; F48-N544 VanDerWaalsContact CB-ND2 3.34Å; F48-N544 WeakPolarHBondContact CB-ND2 3.37Å |
| 49 | D | 89.3 | Confident | 89.8 | Confident | 48 Ų | 48 | 41 Ų | 41 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58 | -42.5 | -177 | -69.1 | -19 | 0 | 0 | 0 | 114.7 | Y51 F52 | D49-Y51 PolarHBondContact O-N 2.84Å; D49-Y51 VanDerWaalsContact O-N 3.09Å; D49-F52 PolarHBondContact O-N 3.19Å; D49-F52 VanDerWaalsContact O-N 3.17Å |
| 50 | P | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -20.7 | -177.7 | -33.4 | 44.3 | 0 | 0 | 0 | 115.7 | I45 H46 E47 N53 Y54 Y166 D167 | I45-P50 HydrophobicContact CG2-CB 3.35Å; H46-P50 WeakPolarHBondContact O-CB 3.16Å; H46-P50 WeakPolarHBondContact O-CD 3.49Å; H46-P50 WeakPolarHBondContact O-CG 3.39Å; E47-P50 HydrophobicContact CB-CG 4.19Å; P50-N53 PolarHBondContact O-N 2.85Å; P50-Y54 WeakPolarHBondContact O-CB 3.37Å; P50-Y54 PolarHBondContact O-N 2.99Å; P50-Y166 WeakPolarHBondContact CA-O 3.2Å; P50-Y166 WeakPolarHBondContact CB-O 3.26Å; P50-D167 HydrophobicContact CG-CB 4.29Å |
| 51 | Y | 92.1 | Very high | 90.4 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 6% | 0.063 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.6 | -37.8 | 176.5 | -81.4 | -75.6 | 0 | 0 | 0 | 113 | I45 E47 F48 D49 Y54 R55 I488 Q531 A534 M535 | I45-Y51 HydrophobicContact CB-CE1 4.29Å; I45-Y51 HydrophobicContact CG2-CD2 4.37Å; I45-Y51 HydrophobicContact CG2-CE1 4.46Å; I45-Y51 HydrophobicContact CG2-CE2 4.21Å; I45-Y51 PolarHBondContact O-OH 3.05Å; I45-Y51 VanDerWaalsContact O-OH 3.07Å; E47-Y51 WeakPolarHBondContact O-CD2 3.21Å; E47-Y51 WeakPolarHBondContact O-CE2 3.42Å; F48-Y51 PolarHBondContact O-N 2.9Å; D49-Y51 PolarHBondContact O-N 2.84Å; D49-Y51 VanDerWaalsContact O-N 3.09Å; Y51-Y54 PolarHBondContact O-N 3.07Å; Y51-R55 WeakPolarHBondContact O-CB 3.03Å; Y51-R55 PolarHBondContact O-N 2.7Å; Y51-I488 HydrophobicContact CE2-CD1 3.81Å; Y51-I488 HydrophobicContact CE2-CG1 4.08Å; Y51-I488 WeakPolarHBondContact OH-CD1 3.26Å; Y51-I488 WeakPolarHBondContact OH-CG1 3.3Å; Y51-Q531 HydrophobicContact CD2-CG 3.69Å; Y51-Q531 HydrophobicContact CE2-CG 4.03Å; Y51-Q531 HydrophobicContact CG-CG 4.31Å; Y51-A534 HydrophobicContact CD1-CB 3.71Å; Y51-A534 HydrophobicContact CG-CB 4.15Å; Y51-M535 HydrophobicContact CD1-CE 4.35Å; Y51-M535 HydrophobicContact CD1-CG 4.47Å; Y51-M535 HydrophobicContact CE1-CE 3.35Å; Y51-M535 HydrophobicContact CE1-CG 4.12Å; Y51-M535 HydrophobicContact CE2-CE 4.02Å; Y51-M535 WeakPolarHBondContact OH-CE 3.39Å |
| 52 | F | 93.1 | Very high | 90.7 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 4% | 0.044 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.2 | -46 | 173.8 | 175.1 | -105.5 | 0 | 0 | 0 | 111.6 | D49 Y54 R55 T56 I84 I88 Y530 | D49-F52 PolarHBondContact O-N 3.19Å; D49-F52 VanDerWaalsContact O-N 3.17Å; F52-Y54 VanDerWaalsContact C-N 3.28Å; F52-Y54 PolarHBondContact O-N 2.84Å; F52-R55 PolarHBondContact O-N 3.49Å; F52-T56 HydrophobicContact CD1-CG2 4.39Å; F52-T56 HydrophobicContact CD2-CG2 4.19Å; F52-T56 HydrophobicContact CE1-CG2 4.05Å; F52-T56 HydrophobicContact CE2-CG2 3.8Å; F52-T56 HydrophobicContact CG-CG2 4.46Å; F52-T56 HydrophobicContact CZ-CG2 3.73Å; F52-T56 WeakPolarHBondContact O-CB 3.49Å; F52-T56 VanDerWaalsContact O-CG2 3.26Å; F52-T56 WeakPolarHBondContact O-CG2 3.5Å; F52-T56 PolarHBondContact O-N 2.87Å; F52-T56 PolarHBondContact O-OG1 3.25Å; F52-I84 HydrophobicContact CE2-CD1 3.72Å; F52-I84 HydrophobicContact CZ-CD1 3.87Å; F52-I88 HydrophobicContact CD1-CD1 4.34Å; F52-I88 HydrophobicContact CE1-CD1 3.37Å; F52-I88 HydrophobicContact CE1-CG1 3.9Å; F52-I88 HydrophobicContact CZ-CD1 3.73Å; F52-I88 HydrophobicContact CZ-CG1 4.41Å; F52-Y530 HydrophobicContact CB-CD1 3.53Å; F52-Y530 HydrophobicContact CB-CD2 3.64Å; F52-Y530 HydrophobicContact CB-CE1 3.53Å; F52-Y530 HydrophobicContact CB-CE2 3.64Å; F52-Y530 HydrophobicContact CB-CG 3.59Å; F52-Y530 HydrophobicContact CD1-CE1 4.32Å; F52-Y530 AromaticContact CD2-CD1 3.94Å; F52-Y530 HydrophobicContact CD2-CD1 3.94Å; F52-Y530 AromaticContact CD2-CE1 3.48Å; F52-Y530 HydrophobicContact CD2-CE1 3.48Å; F52-Y530 VanDerWaalsContact CD2-CE1 3.48Å; F52-Y530 HydrophobicContact CE2-CE1 4.27Å; F52-Y530 AromaticContact CG-CD1 3.98Å; F52-Y530 HydrophobicContact CG-CD1 3.98Å; F52-Y530 AromaticContact CG-CE1 3.52Å; F52-Y530 HydrophobicContact CG-CE1 3.52Å; F52-Y530 HydrophobicContact CG-CE2 4.13Å; F52-Y530 HydrophobicContact CG-CG 4.48Å; F52-Y530 AromaticContact CG-CZ 3.61Å |
| 53 | N | 94 | Very high | 90.9 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.032 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -41 | 177.4 | -64.3 | -24.2 | 0 | 0 | 0 | 110.7 | P50 T56 T57 L92 M93 Y166 | P50-N53 PolarHBondContact O-N 2.85Å; N53-T56 VanDerWaalsContact C-OG1 3.31Å; N53-T56 VanDerWaalsContact CA-OG1 3.31Å; N53-T56 WeakPolarHBondContact CA-OG1 3.43Å; N53-T56 PolarHBondContact O-OG1 2.83Å; N53-T57 WeakPolarHBondContact O-CB 3.39Å; N53-T57 PolarHBondContact O-N 2.93Å; N53-T57 PolarHBondContact O-OG1 3.04Å; N53-L92 HydrophobicContact CB-CD2 3.96Å; N53-M93 HydrophobicContact CB-CE 4.07Å; N53-M93 VanDerWaalsContact OD1-CE 3.28Å; N53-M93 WeakPolarHBondContact OD1-CE 3.46Å; N53-Y166 HydrophobicContact CB-CD1 3.48Å; N53-Y166 VanDerWaalsContact CB-CD1 3.48Å; N53-Y166 HydrophobicContact CB-CE1 3.52Å; N53-Y166 PolarHBondContact ND2-O 3.39Å |
| 54 | Y | 93.5 | Very high | 91.1 | Very high | 40 Ų | 40 | 34.8 Ų | 34.8 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.5 | -44.5 | 176.5 | 168.5 | -110.3 | 0 | 0 | 0 | 113.1 | I45 P50 Y51 F52 T56 T57 R58 I112 R113 C116 | I45-Y54 HydrophobicContact CD1-CD1 3.63Å; I45-Y54 HydrophobicContact CD1-CD2 3.59Å; I45-Y54 HydrophobicContact CD1-CE1 4.35Å; I45-Y54 HydrophobicContact CD1-CE2 4.33Å; I45-Y54 HydrophobicContact CD1-CG 3.18Å; P50-Y54 WeakPolarHBondContact O-CB 3.37Å; P50-Y54 PolarHBondContact O-N 2.99Å; Y51-Y54 PolarHBondContact O-N 3.07Å; F52-Y54 VanDerWaalsContact C-N 3.28Å; F52-Y54 PolarHBondContact O-N 2.84Å; Y54-T56 VanDerWaalsContact C-N 3.3Å; Y54-T56 PolarHBondContact O-N 3.45Å; Y54-T57 PolarHBondContact O-N 3.2Å; Y54-R58 WeakPolarHBondContact O-CB 3.3Å; Y54-R58 PolarHBondContact O-N 2.9Å; Y54-I112 HydrophobicContact CE2-CG2 4.27Å; Y54-R113 HydrophobicContact CE2-CB 3.84Å; Y54-R113 HydrophobicContact CE2-CG 4.26Å; Y54-C116 HydrophobicContact CD2-CB 4.39Å |
| 55 | R | 93.4 | Very high | 91.3 | Very high | 37 Ų | 37 | 38.6 Ų | 38.6 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 177.3 | -179.8 | 177.5 | 173.2 | -132.1 | -4.8 | 111.3 | Y51 F52 R58 F59 W71 D73 | Y51-R55 WeakPolarHBondContact O-CB 3.03Å; Y51-R55 PolarHBondContact O-N 2.7Å; F52-R55 PolarHBondContact O-N 3.49Å; R55-R58 PolarHBondContact O-N 3.27Å; R55-F59 PolarHBondContact O-N 3.33Å; R55-W71 HydrophobicContact CG-CH2 4.48Å; R55-D73 IonicContact CZ-OD1 3.51Å; R55-D73 IonicContact CZ-OD2 3.51Å; R55-D73 IonicContact NH1-OD1 3.8Å; R55-D73 IonicContact NH1-OD2 3.89Å; R55-D73 PolarHBondContact NH1-OD2 2.86Å; R55-D73 VanDerWaalsContact NH2-CG 3.29Å; R55-D73 IonicContact NH2-OD1 3.28Å; R55-D73 PolarHBondContact NH2-OD1 3.48Å; R55-D73 IonicContact NH2-OD2 3.22Å; R55-D73 PolarHBondContact NH2-OD2 3.49Å |
| 56 | T | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.7 | -41.2 | 178.1 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | F52 N53 Y54 F59 L60 W71 I84 I88 | F52-T56 HydrophobicContact CD1-CG2 4.39Å; F52-T56 HydrophobicContact CD2-CG2 4.19Å; F52-T56 HydrophobicContact CE1-CG2 4.05Å; F52-T56 HydrophobicContact CE2-CG2 3.8Å; F52-T56 HydrophobicContact CG-CG2 4.46Å; F52-T56 HydrophobicContact CZ-CG2 3.73Å; F52-T56 WeakPolarHBondContact O-CB 3.49Å; F52-T56 VanDerWaalsContact O-CG2 3.26Å; F52-T56 WeakPolarHBondContact O-CG2 3.5Å; F52-T56 PolarHBondContact O-N 2.87Å; F52-T56 PolarHBondContact O-OG1 3.25Å; N53-T56 VanDerWaalsContact C-OG1 3.31Å; N53-T56 VanDerWaalsContact CA-OG1 3.31Å; N53-T56 WeakPolarHBondContact CA-OG1 3.43Å; N53-T56 PolarHBondContact O-OG1 2.83Å; Y54-T56 VanDerWaalsContact C-N 3.3Å; Y54-T56 PolarHBondContact O-N 3.45Å; T56-F59 PolarHBondContact O-N 3.26Å; T56-L60 WeakPolarHBondContact O-CB 3.29Å; T56-L60 PolarHBondContact O-N 2.97Å; T56-W71 HydrophobicContact CG2-CH2 4.44Å; T56-W71 HydrophobicContact CG2-CZ3 3.73Å; T56-I84 HydrophobicContact CG2-CG2 4.04Å; T56-I88 HydrophobicContact CG2-CD1 3.74Å |
| 57 | T | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | 173.8 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | N53 Y54 L60 A61 M93 I112 Y166 | N53-T57 WeakPolarHBondContact O-CB 3.39Å; N53-T57 PolarHBondContact O-N 2.93Å; N53-T57 PolarHBondContact O-OG1 3.04Å; Y54-T57 PolarHBondContact O-N 3.2Å; T57-L60 PolarHBondContact O-N 2.94Å; T57-A61 WeakPolarHBondContact O-CB 3.43Å; T57-A61 PolarHBondContact O-N 2.95Å; T57-M93 WeakPolarHBondContact OG1-CA 3.44Å; T57-M93 WeakPolarHBondContact OG1-CB 3.33Å; T57-M93 VanDerWaalsContact OG1-CG 3.27Å; T57-M93 WeakPolarHBondContact OG1-CG 3.14Å; T57-I112 HydrophobicContact CG2-CD1 3.9Å; T57-I112 HydrophobicContact CG2-CG1 4.02Å; T57-Y166 PolarHBondContact OG1-OH 2.87Å |
| 58 | R | 93.3 | Very high | 91.9 | Very high | 108 Ų | 108 | 49.1 Ų | 49.1 | 41% | 0.408 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 175.1 | -178.9 | 179.7 | 175 | -170.9 | -4.1 | 111 | Y54 R55 L60 A61 E62 | Y54-R58 WeakPolarHBondContact O-CB 3.3Å; Y54-R58 PolarHBondContact O-N 2.9Å; R55-R58 PolarHBondContact O-N 3.27Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-L60 PolarHBondContact O-N 3.24Å; R58-A61 PolarHBondContact O-N 3.47Å; R58-E62 HydrophobicContact CG-CG 4.48Å; R58-E62 WeakPolarHBondContact CG-OE1 3.5Å; R58-E62 IonicContact CZ-OE1 3.23Å; R58-E62 IonicContact NE-OE1 3.54Å; R58-E62 PolarHBondContact NE-OE1 3.39Å; R58-E62 IonicContact NE-OE2 2.88Å; R58-E62 IonicContact NH2-OE1 3.73Å; R58-E62 PolarHBondContact NH2-OE1 2.99Å; R58-E62 WeakPolarHBondContact O-CG 3.41Å; R58-E62 PolarHBondContact O-N 3.16Å |
| 59 | F | 92.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 50.3 Ų | 50.3 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 175.9 | -171.8 | -93.4 | 0 | 0 | 0 | 111.9 | R55 T56 A61 E62 E63 K67 F68 W71 | R55-F59 PolarHBondContact O-N 3.33Å; T56-F59 PolarHBondContact O-N 3.26Å; F59-A61 VanDerWaalsContact C-N 3.34Å; F59-A61 PolarHBondContact O-N 3.26Å; F59-E62 PolarHBondContact O-N 2.83Å; F59-E63 HydrophobicContact CD1-CB 4.41Å; F59-E63 HydrophobicContact CD2-CG 4.08Å; F59-E63 HydrophobicContact CE1-CB 4.13Å; F59-E63 HydrophobicContact CE1-CG 4.35Å; F59-E63 HydrophobicContact CE2-CB 4.42Å; F59-E63 HydrophobicContact CE2-CG 3.75Å; F59-E63 HydrophobicContact CZ-CB 4.13Å; F59-E63 HydrophobicContact CZ-CG 3.9Å; F59-E63 WeakPolarHBondContact O-CB 3.36Å; F59-E63 PolarHBondContact O-N 2.93Å; F59-K67 HydrophobicContact CE1-CB 4.41Å; F59-F68 HydrophobicContact CD1-CB 4.34Å; F59-F68 HydrophobicContact CD1-CD2 4.31Å; F59-W71 HydrophobicContact CB-CE3 4.46Å; F59-W71 HydrophobicContact CB-CZ3 4.21Å; F59-W71 AromaticContact CD1-CD2 3.93Å; F59-W71 HydrophobicContact CD1-CD2 3.93Å; F59-W71 AromaticContact CD1-CE3 3.79Å; F59-W71 HydrophobicContact CD1-CE3 3.79Å; F59-W71 HydrophobicContact CD1-CG 4.25Å; F59-W71 HydrophobicContact CD1-CZ3 4.37Å; F59-W71 HydrophobicContact CE1-CB 3.91Å; F59-W71 AromaticContact CE1-CD2 3.88Å; F59-W71 HydrophobicContact CE1-CD2 3.88Å; F59-W71 HydrophobicContact CE1-CE3 4.19Å; F59-W71 AromaticContact CE1-CG 3.72Å; F59-W71 HydrophobicContact CE1-CG 3.72Å; F59-W71 HydrophobicContact CE2-CD2 4.49Å; F59-W71 HydrophobicContact CG-CD2 4.25Å; F59-W71 HydrophobicContact CG-CE3 4.09Å; F59-W71 HydrophobicContact CG-CZ3 4.26Å; F59-W71 HydrophobicContact CZ-CB 4.42Å; F59-W71 AromaticContact CZ-CD1 3.93Å; F59-W71 HydrophobicContact CZ-CD2 4.17Å; F59-W71 AromaticContact CZ-CG 3.93Å; F59-W71 HydrophobicContact CZ-CG 3.93Å |
| 60 | L | 93.6 | Very high | 92.2 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 176 | 177.2 | 65.1 | 0 | 0 | 0 | 112.6 | T56 T57 R58 G64 F65 F68 M93 I94 A97 | T56-L60 WeakPolarHBondContact O-CB 3.29Å; T56-L60 PolarHBondContact O-N 2.97Å; T57-L60 PolarHBondContact O-N 2.94Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-L60 PolarHBondContact O-N 3.24Å; L60-G64 VanDerWaalsContact O-CA 3.26Å; L60-G64 WeakPolarHBondContact O-CA 3.46Å; L60-G64 PolarHBondContact O-N 3.45Å; L60-G64 VanDerWaalsContact O-N 3.1Å; L60-F65 HydrophobicContact CD1-CB 4.24Å; L60-F65 HydrophobicContact CD1-CD2 4.12Å; L60-F68 HydrophobicContact CB-CB 4.32Å; L60-F68 HydrophobicContact CB-CD2 4.04Å; L60-F68 HydrophobicContact CB-CG 4.12Å; L60-F68 HydrophobicContact CD1-CB 3.62Å; L60-F68 HydrophobicContact CD1-CD1 3.9Å; L60-F68 HydrophobicContact CD1-CG 3.75Å; L60-F68 HydrophobicContact CG-CG 4.44Å; L60-M93 HydrophobicContact CD2-CB 3.82Å; L60-I94 HydrophobicContact CD2-CG1 4.31Å; L60-A97 HydrophobicContact CD2-CB 3.7Å; L60-A97 HydrophobicContact CG-CB 4Å |
| 61 | A | 91.4 | Very high | 92.2 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.4 | -34 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T57 R58 F59 Y100 I112 | T57-A61 WeakPolarHBondContact O-CB 3.43Å; T57-A61 PolarHBondContact O-N 2.95Å; R58-A61 PolarHBondContact O-N 3.47Å; F59-A61 VanDerWaalsContact C-N 3.34Å; F59-A61 PolarHBondContact O-N 3.26Å; A61-Y100 HydrophobicContact CB-CD1 4.25Å; A61-Y100 HydrophobicContact CB-CE1 4.25Å; A61-I112 HydrophobicContact CB-CD1 4.33Å; A61-I112 HydrophobicContact CB-CG1 4.37Å |
| 62 | E | 91.3 | Very high | 92.2 | Very high | 119 Ų | 119 | 60 Ų | 60 | 56% | 0.556 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -84 | -47 | -178.7 | -69.9 | 173.7 | 178.4 | 0 | 0 | 112.4 | R58 F59 | R58-E62 HydrophobicContact CG-CG 4.48Å; R58-E62 WeakPolarHBondContact CG-OE1 3.5Å; R58-E62 IonicContact CZ-OE1 3.23Å; R58-E62 IonicContact NE-OE1 3.54Å; R58-E62 PolarHBondContact NE-OE1 3.39Å; R58-E62 IonicContact NE-OE2 2.88Å; R58-E62 IonicContact NH2-OE1 3.73Å; R58-E62 PolarHBondContact NH2-OE1 2.99Å; R58-E62 WeakPolarHBondContact O-CG 3.41Å; R58-E62 PolarHBondContact O-N 3.16Å; F59-E62 PolarHBondContact O-N 2.83Å |
| 63 | E | 91.3 | Very high | 92.1 | Very high | 85 Ų | 85 | 59.5 Ų | 59.5 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -98.9 | -19.1 | -171.3 | -67.9 | -65.7 | 153.5 | 0 | 0 | 113.7 | F59 K67 | F59-E63 HydrophobicContact CD1-CB 4.41Å; F59-E63 HydrophobicContact CD2-CG 4.08Å; F59-E63 HydrophobicContact CE1-CB 4.13Å; F59-E63 HydrophobicContact CE1-CG 4.35Å; F59-E63 HydrophobicContact CE2-CB 4.42Å; F59-E63 HydrophobicContact CE2-CG 3.75Å; F59-E63 HydrophobicContact CZ-CB 4.13Å; F59-E63 HydrophobicContact CZ-CG 3.9Å; F59-E63 WeakPolarHBondContact O-CB 3.36Å; F59-E63 PolarHBondContact O-N 2.93Å; E63-K67 HydrophobicContact CB-CB 4Å; E63-K67 HydrophobicContact CB-CD 3.82Å; E63-K67 HydrophobicContact CG-CD 4.43Å; E63-K67 WeakPolarHBondContact O-CD 3.24Å; E63-K67 WeakPolarHBondContact OE2-CD 3.43Å; E63-K67 WeakPolarHBondContact OE2-CE 3.31Å; E63-K67 IonicContact OE2-NZ 3.81Å; E63-K67 PolarHBondContact OE2-NZ 2.97Å |
| 64 | G | 91.5 | Very high | 92 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | trans | 88.2 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | L60 F68 | L60-G64 VanDerWaalsContact O-CA 3.26Å; L60-G64 WeakPolarHBondContact O-CA 3.46Å; L60-G64 PolarHBondContact O-N 3.45Å; L60-G64 VanDerWaalsContact O-N 3.1Å; G64-F68 WeakPolarHBondContact O-CB 3.41Å; G64-F68 PolarHBondContact O-N 3.4Å; G64-F68 VanDerWaalsContact O-N 3.1Å | ||
| 65 | F | 90.2 | Very high | 91.9 | Very high | 99 Ų | 99 | 66 Ų | 66 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | -166.7 | -177.7 | -101.1 | 0 | 0 | 0 | 115.1 | L60 K67 F68 H69 I94 | L60-F65 HydrophobicContact CD1-CB 4.24Å; L60-F65 HydrophobicContact CD1-CD2 4.12Å; F65-K67 PolarHBondContact O-N 3.12Å; F65-F68 WeakPolarHBondContact O-CB 3.41Å; F65-F68 PolarHBondContact O-N 2.9Å; F65-H69 PolarHBondContact O-N 2.84Å; F65-I94 HydrophobicContact CD2-CG1 4.46Å; F65-I94 HydrophobicContact CE2-CD1 3.81Å; F65-I94 HydrophobicContact CE2-CG1 4.16Å |
| 66 | Y | 91.2 | Very high | 91.7 | Very high | 188 Ų | 188 | 64.2 Ų | 64.2 | 74% | 0.737 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.5 | -36.6 | -176.6 | -68.7 | -74.5 | 0 | 0 | 0 | 112.7 | H69 N70 | Y66-H69 PolarHBondContact O-N 3.41Å; Y66-N70 PolarHBondContact O-N 3.25Å; Y66-N70 PolarHBondContact O-ND2 3.43Å |
| 67 | K | 91.3 | Very high | 91.7 | Very high | 122 Ų | 122 | 64.2 Ų | 64.2 | 53% | 0.53 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 173.9 | -74.3 | -175.7 | 176.1 | 174.2 | 0 | 110.9 | F59 E63 F65 H69 N70 W71 | F59-K67 HydrophobicContact CE1-CB 4.41Å; E63-K67 HydrophobicContact CB-CB 4Å; E63-K67 HydrophobicContact CB-CD 3.82Å; E63-K67 HydrophobicContact CG-CD 4.43Å; E63-K67 WeakPolarHBondContact O-CD 3.24Å; E63-K67 WeakPolarHBondContact OE2-CD 3.43Å; E63-K67 WeakPolarHBondContact OE2-CE 3.31Å; E63-K67 IonicContact OE2-NZ 3.81Å; E63-K67 PolarHBondContact OE2-NZ 2.97Å; F65-K67 PolarHBondContact O-N 3.12Å; K67-H69 PolarHBondContact O-N 3.22Å; K67-N70 CarbonylContact O-C 3.57Å; K67-N70 PolarHBondContact O-N 3.06Å; K67-W71 WeakPolarHBondContact O-CB 3.16Å; K67-W71 PolarHBondContact O-N 3.45Å |
| 68 | F | 91.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.3 | 172.6 | -100.8 | 0 | 0 | 0 | 112.7 | F59 L60 G64 F65 N70 W71 I84 I88 P90 | F59-F68 HydrophobicContact CD1-CB 4.34Å; F59-F68 HydrophobicContact CD1-CD2 4.31Å; L60-F68 HydrophobicContact CB-CB 4.32Å; L60-F68 HydrophobicContact CB-CD2 4.04Å; L60-F68 HydrophobicContact CB-CG 4.12Å; L60-F68 HydrophobicContact CD1-CB 3.62Å; L60-F68 HydrophobicContact CD1-CD1 3.9Å; L60-F68 HydrophobicContact CD1-CG 3.75Å; L60-F68 HydrophobicContact CG-CG 4.44Å; G64-F68 WeakPolarHBondContact O-CB 3.41Å; G64-F68 PolarHBondContact O-N 3.4Å; G64-F68 VanDerWaalsContact O-N 3.1Å; F65-F68 WeakPolarHBondContact O-CB 3.41Å; F65-F68 PolarHBondContact O-N 2.9Å; F68-N70 VanDerWaalsContact C-N 3.32Å; F68-N70 PolarHBondContact O-N 3.46Å; F68-W71 HydrophobicContact CD2-CE3 4.4Å; F68-W71 VanDerWaalsContact O-CB 3.3Å; F68-W71 WeakPolarHBondContact O-CB 3.35Å; F68-W71 PolarHBondContact O-N 3.1Å; F68-I84 HydrophobicContact CE2-CG2 4.13Å; F68-I88 HydrophobicContact CZ-CD1 4.49Å; F68-I88 HydrophobicContact CZ-CG2 4.06Å; F68-P90 HydrophobicContact CE1-CB 4.16Å |
| 69 | H | 89.6 | Confident | 91.5 | Very high | 73 Ų | 73 | 65.8 Ų | 65.8 | 34% | 0.338 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -36.2 | -179.9 | -168.1 | 77.6 | 0 | 0 | 0 | 112.9 | F65 Y66 K67 W71 G85 S255 | F65-H69 PolarHBondContact O-N 2.84Å; Y66-H69 PolarHBondContact O-N 3.41Å; K67-H69 PolarHBondContact O-N 3.22Å; H69-W71 VanDerWaalsContact C-N 3.35Å; H69-G85 WeakPolarHBondContact O-CA 3.43Å; H69-S255 PolarHBondContact CE1-OG 2.85Å |
| 70 | N | 91.8 | Very high | 91.5 | Very high | 127 Ų | 127 | 67.1 Ų | 67.1 | 68% | 0.679 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 14.9 | 179.1 | -64.2 | -32.8 | 0 | 0 | 0 | 113 | Y66 K67 F68 F72 | Y66-N70 PolarHBondContact O-N 3.25Å; Y66-N70 PolarHBondContact O-ND2 3.43Å; K67-N70 CarbonylContact O-C 3.57Å; K67-N70 PolarHBondContact O-N 3.06Å; F68-N70 VanDerWaalsContact C-N 3.32Å; F68-N70 PolarHBondContact O-N 3.46Å; N70-F72 PolarHBondContact O-N 3.36Å |
| 71 | W | 92.2 | Very high | 91.4 | Very high | 27 Ų | 27 | 67.2 Ų | 67.2 | 10% | 0.102 | 33% | 0.326 | C | S | . | . | trans | -73.9 | 116.4 | -174.2 | -177.8 | 26.2 | 0 | 0 | 0 | 111.4 | R55 T56 F59 K67 F68 H69 D73 I84 | R55-W71 HydrophobicContact CG-CH2 4.48Å; T56-W71 HydrophobicContact CG2-CH2 4.44Å; T56-W71 HydrophobicContact CG2-CZ3 3.73Å; F59-W71 HydrophobicContact CB-CE3 4.46Å; F59-W71 HydrophobicContact CB-CZ3 4.21Å; F59-W71 AromaticContact CD1-CD2 3.93Å; F59-W71 HydrophobicContact CD1-CD2 3.93Å; F59-W71 AromaticContact CD1-CE3 3.79Å; F59-W71 HydrophobicContact CD1-CE3 3.79Å; F59-W71 HydrophobicContact CD1-CG 4.25Å; F59-W71 HydrophobicContact CD1-CZ3 4.37Å; F59-W71 HydrophobicContact CE1-CB 3.91Å; F59-W71 AromaticContact CE1-CD2 3.88Å; F59-W71 HydrophobicContact CE1-CD2 3.88Å; F59-W71 HydrophobicContact CE1-CE3 4.19Å; F59-W71 AromaticContact CE1-CG 3.72Å; F59-W71 HydrophobicContact CE1-CG 3.72Å; F59-W71 HydrophobicContact CE2-CD2 4.49Å; F59-W71 HydrophobicContact CG-CD2 4.25Å; F59-W71 HydrophobicContact CG-CE3 4.09Å; F59-W71 HydrophobicContact CG-CZ3 4.26Å; F59-W71 HydrophobicContact CZ-CB 4.42Å; F59-W71 AromaticContact CZ-CD1 3.93Å; F59-W71 HydrophobicContact CZ-CD2 4.17Å; F59-W71 AromaticContact CZ-CG 3.93Å; F59-W71 HydrophobicContact CZ-CG 3.93Å; K67-W71 WeakPolarHBondContact O-CB 3.16Å; K67-W71 PolarHBondContact O-N 3.45Å; F68-W71 HydrophobicContact CD2-CE3 4.4Å; F68-W71 VanDerWaalsContact O-CB 3.3Å; F68-W71 WeakPolarHBondContact O-CB 3.35Å; F68-W71 PolarHBondContact O-N 3.1Å; H69-W71 VanDerWaalsContact C-N 3.35Å; W71-D73 HydrophobicContact CZ2-CB 3.86Å; W71-I84 HydrophobicContact CB-CB 4.38Å; W71-I84 HydrophobicContact CD2-CB 4.14Å; W71-I84 HydrophobicContact CD2-CG1 3.8Å; W71-I84 HydrophobicContact CE3-CB 3.73Å; W71-I84 HydrophobicContact CE3-CG1 3.59Å; W71-I84 HydrophobicContact CE3-CG2 3.66Å; W71-I84 HydrophobicContact CG-CB 4.47Å; W71-I84 HydrophobicContact CG-CG1 4.36Å; W71-I84 HydrophobicContact CH2-CG1 4.28Å; W71-I84 HydrophobicContact CZ2-CG1 4.48Å; W71-I84 HydrophobicContact CZ3-CB 4.29Å; W71-I84 HydrophobicContact CZ3-CD1 4.49Å; W71-I84 HydrophobicContact CZ3-CG1 3.86Å; W71-I84 HydrophobicContact CZ3-CG2 3.97Å; W71-I84 PolarHBondContact O-N 2.86Å | ||
| 72 | F | 92.7 | Very high | 91.4 | Very high | 112 Ų | 112 | 66.8 Ų | 66.8 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115.7 | 163.9 | -178.3 | -103.5 | 0 | 0 | 0 | 108.7 | N70 D74 I83 | N70-F72 PolarHBondContact O-N 3.36Å; F72-D74 HydrophobicContact CE1-CB 4.4Å; F72-I83 HydrophobicContact CD2-CG1 3.84Å; F72-I83 HydrophobicContact CE2-CG1 4.27Å |
| 73 | D | 91.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 106.9 | 178.7 | -173 | 21.6 | 0 | 0 | 0 | 109.8 | R55 W71 R75 A76 G81 R82 I84 | R55-D73 IonicContact CZ-OD1 3.51Å; R55-D73 IonicContact CZ-OD2 3.51Å; R55-D73 IonicContact NH1-OD1 3.8Å; R55-D73 IonicContact NH1-OD2 3.89Å; R55-D73 PolarHBondContact NH1-OD2 2.86Å; R55-D73 VanDerWaalsContact NH2-CG 3.29Å; R55-D73 IonicContact NH2-OD1 3.28Å; R55-D73 PolarHBondContact NH2-OD1 3.48Å; R55-D73 IonicContact NH2-OD2 3.22Å; R55-D73 PolarHBondContact NH2-OD2 3.49Å; W71-D73 HydrophobicContact CZ2-CB 3.86Å; D73-R75 VanDerWaalsContact C-N 3.31Å; D73-R75 PolarHBondContact OD1-N 3.04Å; D73-A76 WeakPolarHBondContact OD2-CB 3.39Å; D73-G81 WeakPolarHBondContact O-CA 3.27Å; D73-R82 PolarHBondContact N-O 3.32Å; D73-R82 PolarHBondContact O-N 3.17Å; D73-I84 HydrophobicContact CB-CD1 4Å; D73-I84 HydrophobicContact CB-CG1 3.77Å |
| 74 | D | 90.8 | Very high | 91.4 | Very high | 104 Ų | 104 | 62 Ų | 62 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -81.5 | -10.7 | 176.8 | 62 | -16.2 | 0 | 0 | 0 | 112.8 | F72 | F72-D74 HydrophobicContact CE1-CB 4.4Š|
| 75 | R | 90.9 | Very high | 91.2 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 29% | 0.291 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -88.5 | -11.5 | 180 | -56.4 | -171.6 | 179.8 | -156.7 | -11.7 | 113.8 | D73 T533 N537 T539 I540 | D73-R75 VanDerWaalsContact C-N 3.31Å; D73-R75 PolarHBondContact OD1-N 3.04Å; R75-T533 HydrophobicContact CB-CG2 4.35Å; R75-N537 VanDerWaalsContact NH1-CG 3.28Å; R75-N537 PolarHBondContact NH1-ND2 2.83Å; R75-N537 PolarHBondContact NH1-OD1 2.67Å; R75-T539 CarbonylContact O-C 3.58Å; R75-T539 VanDerWaalsContact O-CA 3.24Å; R75-T539 WeakPolarHBondContact O-CA 3.49Å; R75-I540 PolarHBondContact O-N 3.49Å |
| 76 | A | 90.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -115.1 | 149.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D73 Y78 G81 I540 | D73-A76 WeakPolarHBondContact OD2-CB 3.39Å; A76-Y78 PolarHBondContact O-N 2.81Å; A76-G81 VanDerWaalsContact O-CA 3.24Å; A76-G81 WeakPolarHBondContact O-CA 3.45Å; A76-I540 HydrophobicContact CB-CD1 4.43Å; A76-I540 HydrophobicContact CB-CG1 4.34Å |
| 77 | W | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 57.8 | 42.2 | 179.4 | -70.1 | 88.7 | 0 | 0 | 0 | 114 | P79 L80 G81 I540 L541 V542 D543 N545 W547 N548 H551 I552 | W77-P79 CarbonylContact O-C 3.49Å; W77-L80 HydrophobicContact CB-CB 4.46Å; W77-L80 HydrophobicContact CE3-CD1 4.41Å; W77-L80 WeakPolarHBondContact O-CA 3.17Å; W77-L80 WeakPolarHBondContact O-CB 3.26Å; W77-L80 PolarHBondContact O-N 3.21Å; W77-G81 PolarHBondContact O-N 2.99Å; W77-I540 PolarHBondContact N-O 3.08Å; W77-L541 WeakPolarHBondContact CA-O 3.17Å; W77-V542 HydrophobicContact CZ3-CG1 4.45Å; W77-D543 HydrophobicContact CZ2-CB 4.07Å; W77-N545 WeakPolarHBondContact CZ2-O 3.43Å; W77-W547 HydrophobicContact CB-CZ2 4.25Å; W77-W547 AromaticContact CD1-NE1 3.39Å; W77-W547 AromaticContact CD2-CE2 3.72Å; W77-W547 AromaticContact CD2-CZ2 3.95Å; W77-W547 HydrophobicContact CD2-CZ2 3.95Å; W77-W547 AromaticContact CD2-NE1 3.14Å; W77-W547 AromaticContact CE2-CD1 3.5Å; W77-W547 AromaticContact CE2-NE1 3.06Å; W77-W547 AromaticContact CE3-CE2 3.97Å; W77-W547 AromaticContact CE3-CZ2 4Å; W77-W547 HydrophobicContact CE3-CZ2 4Å; W77-W547 AromaticContact CE3-NE1 3.8Å; W77-W547 HydrophobicContact CG-CZ2 4.03Å; W77-W547 AromaticContact CG-NE1 3.4Å; W77-W547 AromaticContact CZ2-CD1 3.74Å; W77-W547 AromaticContact CZ2-NE1 3.72Å; W77-W547 AromaticContact NE1-CD1 3.6Å; W77-W547 AromaticContact NE1-NE1 3.14Å; W77-W547 VanDerWaalsContact NE1-NE1 3.14Å; W77-N548 HydrophobicContact CE3-CB 4.37Å; W77-N548 HydrophobicContact CH2-CB 4.44Å; W77-N548 HydrophobicContact CZ3-CB 3.82Å; W77-H551 AromaticContact CE3-CD2 3.75Å; W77-H551 HydrophobicContact CZ3-CB 4.03Å; W77-H551 AromaticContact CZ3-CD2 3.91Å; W77-I552 HydrophobicContact CH2-CD1 4.02Å; W77-I552 HydrophobicContact CH2-CG1 3.87Å; W77-I552 HydrophobicContact CZ3-CG1 4.39Å |
| 78 | Y | 92.1 | Very high | 91 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 132.8 | 174.3 | -175.4 | -93.1 | 0 | 0 | 0 | 110.6 | A76 K521 T539 I540 H551 L573 D574 | A76-Y78 PolarHBondContact O-N 2.81Å; Y78-K521 HydrophobicContact CD1-CG 4.22Å; Y78-K521 HydrophobicContact CE1-CG 4.38Å; Y78-K521 HydrophobicContact CG-CG 4.34Å; Y78-T539 HydrophobicContact CD2-CG2 4.17Å; Y78-T539 HydrophobicContact CG-CG2 4.13Å; Y78-I540 PolarHBondContact N-O 3.48Å; Y78-H551 PolarHBondContact O-NE2 3.06Å; Y78-L573 WeakPolarHBondContact CE1-O 2.88Å; Y78-D574 HydrophobicContact CE1-CB 4.03Å; Y78-D574 PolarHBondContact OH-OD2 2.71Å |
| 79 | P | 90.8 | Very high | 91.1 | Very high | 83 Ų | 83 | 47.1 Ų | 47.1 | 54% | 0.539 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -94.5 | 5.9 | 6.2 | 37 | -36.8 | 0 | 0 | 0 | 115.8 | W77 | W77-P79 CarbonylContact O-C 3.49Š|
| 80 | L | 91.8 | Very high | 91.2 | Very high | 79 Ų | 79 | 44.7 Ų | 44.7 | 41% | 0.414 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -39.4 | -173.9 | -60.7 | 156 | 0 | 0 | 0 | 113.3 | W77 W547 | W77-L80 HydrophobicContact CB-CB 4.46Å; W77-L80 HydrophobicContact CE3-CD1 4.41Å; W77-L80 WeakPolarHBondContact O-CA 3.17Å; W77-L80 WeakPolarHBondContact O-CB 3.26Å; W77-L80 PolarHBondContact O-N 3.21Å; L80-W547 HydrophobicContact CB-CH2 4.31Å; L80-W547 HydrophobicContact CB-CZ2 4.36Å; L80-W547 HydrophobicContact CD1-CH2 3.84Å; L80-W547 HydrophobicContact CD1-CZ2 4.05Å |
| 81 | G | 91.7 | Very high | 91.2 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | trans | 73.9 | 168.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D73 A76 W77 | D73-G81 WeakPolarHBondContact O-CA 3.27Å; A76-G81 VanDerWaalsContact O-CA 3.24Å; A76-G81 WeakPolarHBondContact O-CA 3.45Å; W77-G81 PolarHBondContact O-N 2.99Å | ||
| 82 | R | 92.6 | Very high | 91.3 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 4% | 0.038 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124.9 | 177.1 | -175.4 | 179.1 | 173.2 | 176.5 | -3.6 | 111.7 | D73 I84 T87 Y530 D543 N545 | D73-R82 PolarHBondContact N-O 3.32Å; D73-R82 PolarHBondContact O-N 3.17Å; R82-I84 HydrophobicContact CB-CD1 4.36Å; R82-I84 HydrophobicContact CG-CD1 3.95Å; R82-I84 PolarHBondContact O-N 3.34Å; R82-T87 PolarHBondContact NE-OG1 2.93Å; R82-T87 VanDerWaalsContact NE-OG1 3.09Å; R82-T87 PolarHBondContact NH2-O 3.41Å; R82-T87 VanDerWaalsContact NH2-O 3.14Å; R82-Y530 PolarHBondContact NH1-OH 3.14Å; R82-Y530 VanDerWaalsContact NH1-OH 3.14Å; R82-D543 IonicContact NH1-OD2 3.92Å; R82-N545 VanDerWaalsContact CZ-ND2 3.34Å; R82-N545 PolarHBondContact NH2-ND2 3.29Å; R82-N545 VanDerWaalsContact NH2-ND2 3.13Å |
| 83 | I | 92.3 | Very high | 91.4 | Very high | 104 Ų | 104 | 32.1 Ų | 32.1 | 53% | 0.533 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 102.6 | 172 | -56.6 | 166 | 0 | 0 | 0 | 108.5 | F72 T87 | F72-I83 HydrophobicContact CD2-CG1 3.84Å; F72-I83 HydrophobicContact CE2-CG1 4.27Å; I83-T87 WeakPolarHBondContact O-CB 3.31Å; I83-T87 VanDerWaalsContact O-CG2 3.31Å; I83-T87 WeakPolarHBondContact O-CG2 3.18Å; I83-T87 PolarHBondContact O-N 2.81Å; I83-T87 PolarHBondContact O-OG1 3.42Å |
| 84 | I | 90.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -52.2 | -171 | -61.2 | -64.3 | 0 | 0 | 0 | 111.4 | F52 T56 F68 W71 D73 R82 G86 T87 I88 | F52-I84 HydrophobicContact CE2-CD1 3.72Å; F52-I84 HydrophobicContact CZ-CD1 3.87Å; T56-I84 HydrophobicContact CG2-CG2 4.04Å; F68-I84 HydrophobicContact CE2-CG2 4.13Å; W71-I84 HydrophobicContact CB-CB 4.38Å; W71-I84 HydrophobicContact CD2-CB 4.14Å; W71-I84 HydrophobicContact CD2-CG1 3.8Å; W71-I84 HydrophobicContact CE3-CB 3.73Å; W71-I84 HydrophobicContact CE3-CG1 3.59Å; W71-I84 HydrophobicContact CE3-CG2 3.66Å; W71-I84 HydrophobicContact CG-CB 4.47Å; W71-I84 HydrophobicContact CG-CG1 4.36Å; W71-I84 HydrophobicContact CH2-CG1 4.28Å; W71-I84 HydrophobicContact CZ2-CG1 4.48Å; W71-I84 HydrophobicContact CZ3-CB 4.29Å; W71-I84 HydrophobicContact CZ3-CD1 4.49Å; W71-I84 HydrophobicContact CZ3-CG1 3.86Å; W71-I84 HydrophobicContact CZ3-CG2 3.97Å; W71-I84 PolarHBondContact O-N 2.86Å; D73-I84 HydrophobicContact CB-CD1 4Å; D73-I84 HydrophobicContact CB-CG1 3.77Å; R82-I84 HydrophobicContact CB-CD1 4.36Å; R82-I84 HydrophobicContact CG-CD1 3.95Å; R82-I84 PolarHBondContact O-N 3.34Å; I84-G86 PolarHBondContact O-N 3.37Å; I84-G86 VanDerWaalsContact O-N 3.09Å; I84-T87 CarbonylContact O-C 3.59Å; I84-T87 PolarHBondContact O-N 2.83Å; I84-I88 HydrophobicContact CG2-CB 4.49Å; I84-I88 HydrophobicContact CG2-CD1 4.17Å; I84-I88 HydrophobicContact CG2-CG2 4.2Å; I84-I88 WeakPolarHBondContact O-CB 3.3Å; I84-I88 WeakPolarHBondContact O-CG2 3.36Å; I84-I88 PolarHBondContact O-N 2.9Å |
| 85 | G | 87 | Confident | 91.7 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 8% | 0.082 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H69 | H69-G85 WeakPolarHBondContact O-CA 3.43Š|
| 86 | G | 88.9 | Confident | 91.8 | Very high | 27 Ų | 27 | 27.6 Ų | 27.6 | 28% | 0.278 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -13.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I84 F256 | I84-G86 PolarHBondContact O-N 3.37Å; I84-G86 VanDerWaalsContact O-N 3.09Å; G86-F256 WeakPolarHBondContact O-CA 3.31Å; G86-F256 VanDerWaalsContact O-CD2 3.32Å; G86-F256 WeakPolarHBondContact O-CD2 3.27Å |
| 87 | T | 89.1 | Confident | 91.9 | Very high | 45 Ų | 45 | 27.9 Ų | 27.9 | 28% | 0.276 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -123.2 | 23.4 | -173.7 | 66.1 | 0 | 0 | 0 | 0 | 113.5 | R82 I83 I84 | R82-T87 PolarHBondContact NE-OG1 2.93Å; R82-T87 VanDerWaalsContact NE-OG1 3.09Å; R82-T87 PolarHBondContact NH2-O 3.41Å; R82-T87 VanDerWaalsContact NH2-O 3.14Å; I83-T87 WeakPolarHBondContact O-CB 3.31Å; I83-T87 VanDerWaalsContact O-CG2 3.31Å; I83-T87 WeakPolarHBondContact O-CG2 3.18Å; I83-T87 PolarHBondContact O-N 2.81Å; I83-T87 PolarHBondContact O-OG1 3.42Å; I84-T87 CarbonylContact O-C 3.59Å; I84-T87 PolarHBondContact O-N 2.83Å |
| 88 | I | 90.9 | Very high | 92 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -137.9 | 151.3 | -177.8 | -156.8 | 169.9 | 0 | 0 | 0 | 112 | F52 T56 F68 I84 P90 M93 | F52-I88 HydrophobicContact CD1-CD1 4.34Å; F52-I88 HydrophobicContact CE1-CD1 3.37Å; F52-I88 HydrophobicContact CE1-CG1 3.9Å; F52-I88 HydrophobicContact CZ-CD1 3.73Å; F52-I88 HydrophobicContact CZ-CG1 4.41Å; T56-I88 HydrophobicContact CG2-CD1 3.74Å; F68-I88 HydrophobicContact CZ-CD1 4.49Å; F68-I88 HydrophobicContact CZ-CG2 4.06Å; I84-I88 HydrophobicContact CG2-CB 4.49Å; I84-I88 HydrophobicContact CG2-CD1 4.17Å; I84-I88 HydrophobicContact CG2-CG2 4.2Å; I84-I88 WeakPolarHBondContact O-CB 3.3Å; I84-I88 WeakPolarHBondContact O-CG2 3.36Å; I84-I88 PolarHBondContact O-N 2.9Å; I88-P90 WeakPolarHBondContact O-CD 3.18Å; I88-M93 HydrophobicContact CD1-CE 3.32Å; I88-M93 HydrophobicContact CD1-SD 3.97Å; I88-M93 HydrophobicContact CG1-CE 3.83Å; I88-M93 HydrophobicContact CG1-SD 4.34Å |
| 89 | Y | 92.4 | Very high | 92 | Very high | 36 Ų | 36 | 29.7 Ų | 29.7 | 14% | 0.141 | 18% | 0.179 | C | C | . | . | trans | -88.1 | 107.9 | 166.4 | -72.7 | -67.7 | 0 | 0 | 0 | 109.1 | G91 V206 S207 G210 Y212 F256 V257 | Y89-G91 VanDerWaalsContact C-N 3.28Å; Y89-G91 PolarHBondContact O-N 3.39Å; Y89-V206 WeakPolarHBondContact CD1-O 3.47Å; Y89-V206 WeakPolarHBondContact CE1-O 3.2Å; Y89-S207 CarbonylContact C-O 3.12Å; Y89-S207 VanDerWaalsContact C-O 3.23Å; Y89-S207 WeakPolarHBondContact CB-O 3.34Å; Y89-G210 WeakPolarHBondContact OH-CA 3.44Å; Y89-Y212 HydrophobicContact CE1-CE1 4.37Å; Y89-F256 HydrophobicContact CD1-CD1 4.24Å; Y89-F256 HydrophobicContact CD2-CD1 4.24Å; Y89-F256 HydrophobicContact CD2-CE1 4.31Å; Y89-F256 AromaticContact CE1-CD1 3.68Å; Y89-F256 HydrophobicContact CE1-CD1 3.68Å; Y89-F256 HydrophobicContact CE1-CE1 4.25Å; Y89-F256 AromaticContact CE2-CD1 3.67Å; Y89-F256 HydrophobicContact CE2-CD1 3.67Å; Y89-F256 AromaticContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CE2-CE1 3.49Å; Y89-F256 VanDerWaalsContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CG-CD1 4.49Å; Y89-F256 AromaticContact CZ-CD1 3.35Å; Y89-F256 AromaticContact CZ-CE1 3.45Å; Y89-F256 VanDerWaalsContact CZ-CE1 3.45Å; Y89-F256 VanDerWaalsContact OH-CE1 3.32Å; Y89-F256 WeakPolarHBondContact OH-CE1 3.22Å; Y89-V257 HydrophobicContact CE1-CG2 4.22Å | ||
| 90 | P | 92.6 | Very high | 92.2 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 14% | 0.136 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -5.4 | -167.7 | 34 | -38.5 | 0 | 0 | 0 | 114.1 | F68 I88 L92 M93 I94 | F68-P90 HydrophobicContact CE1-CB 4.16Å; I88-P90 WeakPolarHBondContact O-CD 3.18Å; P90-L92 PolarHBondContact O-N 3.5Å; P90-M93 PolarHBondContact O-N 3.24Å; P90-I94 HydrophobicContact CB-CD1 3.79Å; P90-I94 HydrophobicContact CB-CG1 4.31Å; P90-I94 HydrophobicContact CG-CD1 4.2Å; P90-I94 WeakPolarHBondContact O-CB 3.07Å; P90-I94 WeakPolarHBondContact O-CG1 3.15Å; P90-I94 PolarHBondContact O-N 3.38Å |
| 91 | G | 92 | Very high | 92.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y89 T95 S207 | Y89-G91 VanDerWaalsContact C-N 3.28Å; Y89-G91 PolarHBondContact O-N 3.39Å; G91-T95 VanDerWaalsContact O-CB 3.31Å; G91-T95 WeakPolarHBondContact O-CB 3.37Å; G91-T95 PolarHBondContact O-N 3.27Å; G91-T95 VanDerWaalsContact O-N 3.09Å; G91-T95 PolarHBondContact O-OG1 3.15Å; G91-S207 VanDerWaalsContact CA-O 3.3Å; G91-S207 WeakPolarHBondContact CA-O 3.41Å; G91-S207 PolarHBondContact N-O 3.23Å |
| 92 | L | 93.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -48.1 | 177.6 | 180 | 65.2 | 0 | 0 | 0 | 111.6 | N53 P90 S96 L119 Y166 I171 | N53-L92 HydrophobicContact CB-CD2 3.96Å; P90-L92 PolarHBondContact O-N 3.5Å; L92-S96 WeakPolarHBondContact O-CB 3.38Å; L92-S96 PolarHBondContact O-N 2.93Å; L92-S96 VanDerWaalsContact O-N 3.1Å; L92-S96 PolarHBondContact O-OG 3.25Å; L92-L119 HydrophobicContact CD1-CD2 3.59Å; L92-Y166 HydrophobicContact CD1-CD2 4.16Å; L92-Y166 HydrophobicContact CD1-CE2 3.61Å; L92-Y166 HydrophobicContact CD2-CD1 4.2Å; L92-Y166 HydrophobicContact CD2-CD2 4.41Å; L92-Y166 HydrophobicContact CD2-CE1 3.89Å; L92-Y166 HydrophobicContact CD2-CE2 4.13Å; L92-Y166 HydrophobicContact CD2-CG 4.45Å; L92-Y166 HydrophobicContact CG-CD2 4.47Å; L92-Y166 HydrophobicContact CG-CE1 4.1Å; L92-Y166 HydrophobicContact CG-CE2 3.79Å; L92-Y166 PolarHBondContact O-OH 2.91Å; L92-I171 HydrophobicContact CB-CD1 4.43Å; L92-I171 HydrophobicContact CD1-CD1 3.55Å; L92-I171 HydrophobicContact CD1-CG1 3.96Å |
| 93 | M | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -46.6 | -177.6 | -53.5 | 81.7 | -171.7 | 0 | 0 | 111.4 | N53 T57 L60 I88 P90 T95 S96 A97 | N53-M93 HydrophobicContact CB-CE 4.07Å; N53-M93 VanDerWaalsContact OD1-CE 3.28Å; N53-M93 WeakPolarHBondContact OD1-CE 3.46Å; T57-M93 WeakPolarHBondContact OG1-CA 3.44Å; T57-M93 WeakPolarHBondContact OG1-CB 3.33Å; T57-M93 VanDerWaalsContact OG1-CG 3.27Å; T57-M93 WeakPolarHBondContact OG1-CG 3.14Å; L60-M93 HydrophobicContact CD2-CB 3.82Å; I88-M93 HydrophobicContact CD1-CE 3.32Å; I88-M93 HydrophobicContact CD1-SD 3.97Å; I88-M93 HydrophobicContact CG1-CE 3.83Å; I88-M93 HydrophobicContact CG1-SD 4.34Å; P90-M93 PolarHBondContact O-N 3.24Å; M93-T95 PolarHBondContact O-N 3.14Å; M93-S96 PolarHBondContact O-N 2.71Å; M93-A97 WeakPolarHBondContact O-CB 3.41Å; M93-A97 PolarHBondContact O-N 2.94Å |
| 94 | I | 93.8 | Very high | 92.1 | Very high | 67 Ų | 67 | 32.2 Ų | 32.2 | 34% | 0.344 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 178.2 | -67.1 | 167.4 | 0 | 0 | 0 | 110.7 | L60 F65 P90 S96 A97 A98 | L60-I94 HydrophobicContact CD2-CG1 4.31Å; F65-I94 HydrophobicContact CD2-CG1 4.46Å; F65-I94 HydrophobicContact CE2-CD1 3.81Å; F65-I94 HydrophobicContact CE2-CG1 4.16Å; P90-I94 HydrophobicContact CB-CD1 3.79Å; P90-I94 HydrophobicContact CB-CG1 4.31Å; P90-I94 HydrophobicContact CG-CD1 4.2Å; P90-I94 WeakPolarHBondContact O-CB 3.07Å; P90-I94 WeakPolarHBondContact O-CG1 3.15Å; P90-I94 PolarHBondContact O-N 3.38Å; I94-S96 VanDerWaalsContact C-N 3.28Å; I94-S96 PolarHBondContact O-N 3.09Å; I94-A97 PolarHBondContact O-N 3.47Å; I94-A98 VanDerWaalsContact O-CB 3.23Å; I94-A98 WeakPolarHBondContact O-CB 3.5Å; I94-A98 PolarHBondContact O-N 3.44Å |
| 95 | T | 94.5 | Very high | 92.2 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 178.8 | -68.4 | 0 | 0 | 0 | 0 | 111.5 | G91 M93 A98 I99 F123 I171 Y204 | G91-T95 VanDerWaalsContact O-CB 3.31Å; G91-T95 WeakPolarHBondContact O-CB 3.37Å; G91-T95 PolarHBondContact O-N 3.27Å; G91-T95 VanDerWaalsContact O-N 3.09Å; G91-T95 PolarHBondContact O-OG1 3.15Å; M93-T95 PolarHBondContact O-N 3.14Å; T95-A98 PolarHBondContact O-N 3.15Å; T95-I99 HydrophobicContact CG2-CD1 4.09Å; T95-I99 VanDerWaalsContact O-CG1 3.3Å; T95-I99 WeakPolarHBondContact O-CG1 3.33Å; T95-I99 PolarHBondContact O-N 3.02Å; T95-F123 HydrophobicContact CG2-CE2 3.72Å; T95-F123 HydrophobicContact CG2-CZ 3.53Å; T95-I171 HydrophobicContact CG2-CD1 3.94Å; T95-Y204 WeakPolarHBondContact OG1-CE2 3.49Å; T95-Y204 PolarHBondContact OG1-OH 3.41Å |
| 96 | S | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.3 | -44.1 | -179.4 | -52.5 | 0 | 0 | 0 | 0 | 112 | L92 M93 I94 A98 I99 Y100 L119 Y166 | L92-S96 WeakPolarHBondContact O-CB 3.38Å; L92-S96 PolarHBondContact O-N 2.93Å; L92-S96 VanDerWaalsContact O-N 3.1Å; L92-S96 PolarHBondContact O-OG 3.25Å; M93-S96 PolarHBondContact O-N 2.71Å; I94-S96 VanDerWaalsContact C-N 3.28Å; I94-S96 PolarHBondContact O-N 3.09Å; S96-A98 VanDerWaalsContact C-N 3.33Å; S96-A98 PolarHBondContact O-N 3.32Å; S96-I99 PolarHBondContact O-N 3.29Å; S96-Y100 WeakPolarHBondContact O-CB 3.4Å; S96-Y100 PolarHBondContact O-N 3.11Å; S96-L119 WeakPolarHBondContact OG-CD2 3.36Å; S96-Y166 WeakPolarHBondContact CB-OH 3.34Å; S96-Y166 VanDerWaalsContact OG-CE2 3.3Å; S96-Y166 WeakPolarHBondContact OG-CE2 3.48Å; S96-Y166 PolarHBondContact OG-OH 2.66Å |
| 97 | A | 93.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L60 M93 I94 Y100 H101 | L60-A97 HydrophobicContact CD2-CB 3.7Å; L60-A97 HydrophobicContact CG-CB 4Å; M93-A97 WeakPolarHBondContact O-CB 3.41Å; M93-A97 PolarHBondContact O-N 2.94Å; I94-A97 PolarHBondContact O-N 3.47Å; A97-Y100 WeakPolarHBondContact O-CB 3.42Å; A97-Y100 PolarHBondContact O-N 3.38Å; A97-H101 PolarHBondContact O-CD2 3.14Å; A97-H101 PolarHBondContact O-N 3.08Å |
| 98 | A | 93.7 | Very high | 92.6 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I94 T95 S96 Y100 H101 V102 | I94-A98 VanDerWaalsContact O-CB 3.23Å; I94-A98 WeakPolarHBondContact O-CB 3.5Å; I94-A98 PolarHBondContact O-N 3.44Å; T95-A98 PolarHBondContact O-N 3.15Å; S96-A98 VanDerWaalsContact C-N 3.33Å; S96-A98 PolarHBondContact O-N 3.32Å; A98-Y100 VanDerWaalsContact C-N 3.34Å; A98-Y100 PolarHBondContact O-N 3.19Å; A98-H101 PolarHBondContact O-N 3.34Å; A98-V102 WeakPolarHBondContact O-CB 3.37Å; A98-V102 WeakPolarHBondContact O-CG2 3.28Å; A98-V102 PolarHBondContact O-N 3.42Å |
| 99 | I | 93.6 | Very high | 92.6 | Very high | 46 Ų | 46 | 59.8 Ų | 59.8 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 175.3 | -69.6 | 165.2 | 0 | 0 | 0 | 110.6 | T95 S96 V102 L103 V115 L119 L122 F123 | T95-I99 HydrophobicContact CG2-CD1 4.09Å; T95-I99 VanDerWaalsContact O-CG1 3.3Å; T95-I99 WeakPolarHBondContact O-CG1 3.33Å; T95-I99 PolarHBondContact O-N 3.02Å; S96-I99 PolarHBondContact O-N 3.29Å; I99-V102 PolarHBondContact O-N 3.31Å; I99-L103 HydrophobicContact CG2-CD1 3.78Å; I99-L103 HydrophobicContact CG2-CG 4.37Å; I99-L103 WeakPolarHBondContact O-CB 3.44Å; I99-L103 VanDerWaalsContact O-CG 3.29Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 2.89Å; I99-V115 HydrophobicContact CB-CG1 4.19Å; I99-V115 HydrophobicContact CG2-CG1 3.87Å; I99-L119 HydrophobicContact CD1-CD1 3.45Å; I99-L119 VanDerWaalsContact CD1-CD1 3.45Å; I99-L122 HydrophobicContact CD1-CD2 4.38Å; I99-F123 HydrophobicContact CD1-CE2 4.42Å |
| 100 | Y | 93.3 | Very high | 92.5 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 177 | 173.2 | -100.8 | 0 | 0 | 0 | 112.2 | A61 S96 A97 A98 V102 L103 H104 I110 I112 V115 | A61-Y100 HydrophobicContact CB-CD1 4.25Å; A61-Y100 HydrophobicContact CB-CE1 4.25Å; S96-Y100 WeakPolarHBondContact O-CB 3.4Å; S96-Y100 PolarHBondContact O-N 3.11Å; A97-Y100 WeakPolarHBondContact O-CB 3.42Å; A97-Y100 PolarHBondContact O-N 3.38Å; A98-Y100 VanDerWaalsContact C-N 3.34Å; A98-Y100 PolarHBondContact O-N 3.19Å; Y100-V102 PolarHBondContact O-N 2.89Å; Y100-L103 PolarHBondContact O-N 3.37Å; Y100-H104 AromaticContact CD2-CD2 3.73Å; Y100-H104 AromaticContact CE1-CD2 3.9Å; Y100-H104 AromaticContact CE2-CD2 3.34Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.46Å; Y100-H104 AromaticContact CE2-NE2 3.2Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.33Å; Y100-H104 AromaticContact CZ-CD2 3.43Å; Y100-H104 VanDerWaalsContact CZ-CD2 3.43Å; Y100-H104 AromaticContact CZ-NE2 3.32Å; Y100-H104 VanDerWaalsContact CZ-NE2 3.32Å; Y100-H104 WeakPolarHBondContact O-CB 3.23Å; Y100-H104 PolarHBondContact O-CD2 3.24Å; Y100-H104 PolarHBondContact O-N 2.96Å; Y100-H104 PolarHBondContact OH-NE2 3.07Å; Y100-I110 VanDerWaalsContact CE2-O 3.22Å; Y100-I110 WeakPolarHBondContact CE2-O 3.4Å; Y100-I112 HydrophobicContact CD1-CD1 4.39Å; Y100-I112 HydrophobicContact CD2-CB 4.17Å; Y100-I112 HydrophobicContact CD2-CD1 3.88Å; Y100-I112 HydrophobicContact CE2-CB 4.17Å; Y100-I112 HydrophobicContact CG-CD1 3.74Å; Y100-V115 HydrophobicContact CD2-CG2 4.38Å |
| 101 | H | 91.8 | Very high | 92.4 | Very high | 99 Ų | 99 | 63.1 Ų | 63.1 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 178 | -69.6 | -52.8 | 0 | 0 | 0 | 112.8 | A97 A98 H104 F105 | A97-H101 PolarHBondContact O-CD2 3.14Å; A97-H101 PolarHBondContact O-N 3.08Å; A98-H101 PolarHBondContact O-N 3.34Å; H101-H104 PolarHBondContact O-N 3.29Å; H101-F105 WeakPolarHBondContact O-CB 3.41Å; H101-F105 PolarHBondContact O-N 3.46Å |
| 102 | V | 93.1 | Very high | 92.4 | Very high | 79 Ų | 79 | 63.6 Ų | 63.6 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.6 | 170 | 0 | 0 | 0 | 0 | 110.9 | A98 I99 Y100 F105 F106 | A98-V102 WeakPolarHBondContact O-CB 3.37Å; A98-V102 WeakPolarHBondContact O-CG2 3.28Å; A98-V102 PolarHBondContact O-N 3.42Å; I99-V102 PolarHBondContact O-N 3.31Å; Y100-V102 PolarHBondContact O-N 2.89Å; V102-F105 WeakPolarHBondContact O-CB 3.43Å; V102-F105 PolarHBondContact O-N 3.15Å; V102-F106 HydrophobicContact CG1-CD2 4.01Å; V102-F106 HydrophobicContact CG1-CE2 3.74Å; V102-F106 WeakPolarHBondContact O-CD2 3.41Å; V102-F106 PolarHBondContact O-N 3.05Å |
| 103 | L | 92.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 68.1 Ų | 68.1 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 176.8 | -71.3 | 168.1 | 0 | 0 | 0 | 111.9 | I99 Y100 F105 F106 H107 I108 I110 V115 | I99-L103 HydrophobicContact CG2-CD1 3.78Å; I99-L103 HydrophobicContact CG2-CG 4.37Å; I99-L103 WeakPolarHBondContact O-CB 3.44Å; I99-L103 VanDerWaalsContact O-CG 3.29Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 2.89Å; Y100-L103 PolarHBondContact O-N 3.37Å; L103-F105 VanDerWaalsContact C-N 3.32Å; L103-F105 PolarHBondContact O-N 3.38Å; L103-F106 CarbonylContact O-C 3.57Å; L103-F106 PolarHBondContact O-N 3.26Å; L103-F106 VanDerWaalsContact O-N 3.15Å; L103-H107 PolarHBondContact O-N 3.48Å; L103-I108 CarbonylContact C-O 3.58Å; L103-I108 HydrophobicContact CD2-CD1 4.27Å; L103-I108 PolarHBondContact O-N 2.97Å; L103-I110 HydrophobicContact CD1-CD1 3.97Å; L103-I110 HydrophobicContact CD2-CD1 4.45Å; L103-V115 HydrophobicContact CD1-CG2 4.26Å |
| 104 | H | 90.5 | Very high | 92.3 | Very high | 67 Ų | 67 | 70.4 Ų | 70.4 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -35.3 | 173.7 | -93 | -88.6 | 0 | 0 | 0 | 112.8 | Y100 H101 F106 H107 | Y100-H104 AromaticContact CD2-CD2 3.73Å; Y100-H104 AromaticContact CE1-CD2 3.9Å; Y100-H104 AromaticContact CE2-CD2 3.34Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.46Å; Y100-H104 AromaticContact CE2-NE2 3.2Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.33Å; Y100-H104 AromaticContact CZ-CD2 3.43Å; Y100-H104 VanDerWaalsContact CZ-CD2 3.43Å; Y100-H104 AromaticContact CZ-NE2 3.32Å; Y100-H104 VanDerWaalsContact CZ-NE2 3.32Å; Y100-H104 WeakPolarHBondContact O-CB 3.23Å; Y100-H104 PolarHBondContact O-CD2 3.24Å; Y100-H104 PolarHBondContact O-N 2.96Å; Y100-H104 PolarHBondContact OH-NE2 3.07Å; H101-H104 PolarHBondContact O-N 3.29Å; H104-F106 VanDerWaalsContact C-N 3.27Å; H104-F106 PolarHBondContact O-N 3.34Å; H104-H107 WeakPolarHBondContact O-CA 3.41Å; H104-H107 PolarHBondContact O-N 3.35Å |
| 105 | F | 92.1 | Very high | 92.3 | Very high | 158 Ų | 158 | 67.7 Ų | 67.7 | 69% | 0.693 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.6 | -36.1 | 173.1 | 179 | -96.9 | 0 | 0 | 0 | 111.9 | H101 V102 L103 H107 | H101-F105 WeakPolarHBondContact O-CB 3.41Å; H101-F105 PolarHBondContact O-N 3.46Å; V102-F105 WeakPolarHBondContact O-CB 3.43Å; V102-F105 PolarHBondContact O-N 3.15Å; L103-F105 VanDerWaalsContact C-N 3.32Å; L103-F105 PolarHBondContact O-N 3.38Å; F105-H107 PolarHBondContact O-N 3.16Å; F105-H107 PolarHBondContact O-ND1 3.31Å |
| 106 | F | 93.2 | Very high | 92.3 | Very high | 132 Ų | 132 | 66.8 Ų | 66.8 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 11.7 | 171.9 | -67.9 | -65.5 | 0 | 0 | 0 | 114.1 | V102 L103 H104 I108 | V102-F106 HydrophobicContact CG1-CD2 4.01Å; V102-F106 HydrophobicContact CG1-CE2 3.74Å; V102-F106 WeakPolarHBondContact O-CD2 3.41Å; V102-F106 PolarHBondContact O-N 3.05Å; L103-F106 CarbonylContact O-C 3.57Å; L103-F106 PolarHBondContact O-N 3.26Å; L103-F106 VanDerWaalsContact O-N 3.15Å; H104-F106 VanDerWaalsContact C-N 3.27Å; H104-F106 PolarHBondContact O-N 3.34Å; F106-I108 HydrophobicContact CB-CD1 4.42Å; F106-I108 HydrophobicContact CB-CG1 4.28Å; F106-I108 PolarHBondContact O-N 3.46Å |
| 107 | H | 90 | Very high | 92.2 | Very high | 170 Ų | 170 | 66.9 Ų | 66.9 | 79% | 0.787 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 23.5 | -178.7 | -58.5 | 72.1 | 0 | 0 | 0 | 114.2 | L103 H104 F105 T109 | L103-H107 PolarHBondContact O-N 3.48Å; H104-H107 WeakPolarHBondContact O-CA 3.41Å; H104-H107 PolarHBondContact O-N 3.35Å; F105-H107 PolarHBondContact O-N 3.16Å; F105-H107 PolarHBondContact O-ND1 3.31Å; H107-T109 PolarHBondContact O-N 3.48Å |
| 108 | I | 91 | Very high | 92.3 | Very high | 87 Ų | 87 | 70 Ų | 70 | 45% | 0.446 | 35% | 0.348 | S | S | . | . | trans | -92.3 | 95.7 | 172.4 | -51.3 | 179 | 0 | 0 | 0 | 107.4 | L103 F106 I110 | L103-I108 CarbonylContact C-O 3.58Å; L103-I108 HydrophobicContact CD2-CD1 4.27Å; L103-I108 PolarHBondContact O-N 2.97Å; F106-I108 HydrophobicContact CB-CD1 4.42Å; F106-I108 HydrophobicContact CB-CG1 4.28Å; F106-I108 PolarHBondContact O-N 3.46Å; I108-I110 HydrophobicContact CG2-CD1 3.49Å; I108-I110 VanDerWaalsContact CG2-CD1 3.49Å; I108-I110 HydrophobicContact CG2-CG1 3.84Å; I108-I110 PolarHBondContact O-N 3.31Å | ||
| 109 | T | 89.6 | Confident | 92.3 | Very high | 121 Ų | 121 | 67.9 Ų | 67.9 | 74% | 0.742 | 33% | 0.329 | S | S | * | . | trans | -76.6 | 85.8 | -177.4 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | H107 | H107-T109 PolarHBondContact O-N 3.48Š| ||
| 110 | I | 89.5 | Confident | 92.4 | Very high | 54 Ų | 54 | 66 Ų | 66 | 28% | 0.277 | 32% | 0.321 | S | S | . | . | trans | -105.2 | 131.5 | 176.7 | -70.8 | 159.9 | 0 | 0 | 0 | 109 | Y100 L103 I108 N114 V115 | Y100-I110 VanDerWaalsContact CE2-O 3.22Å; Y100-I110 WeakPolarHBondContact CE2-O 3.4Å; L103-I110 HydrophobicContact CD1-CD1 3.97Å; L103-I110 HydrophobicContact CD2-CD1 4.45Å; I108-I110 HydrophobicContact CG2-CD1 3.49Å; I108-I110 VanDerWaalsContact CG2-CD1 3.49Å; I108-I110 HydrophobicContact CG2-CG1 3.84Å; I108-I110 PolarHBondContact O-N 3.31Å; I110-N114 HydrophobicContact CG2-CB 3.75Å; I110-V115 HydrophobicContact CG2-CG2 3.93Å | ||
| 111 | D | 91.8 | Very high | 92.4 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | trans | -60 | 139.4 | 173.4 | -178.5 | 30 | 0 | 0 | 0 | 111.8 | R113 N114 V115 | D111-R113 PolarHBondContact O-N 3.05Å; D111-R113 VanDerWaalsContact O-N 3.1Å; D111-R113 VanDerWaalsContact OD2-CB 3.22Å; D111-R113 WeakPolarHBondContact OD2-CB 3.34Å; D111-R113 IonicContact OD2-NE 3.94Å; D111-N114 WeakPolarHBondContact O-CB 3.35Å; D111-N114 PolarHBondContact O-N 3.25Å; D111-V115 PolarHBondContact O-N 3.49Å | ||
| 112 | I | 92 | Very high | 92.6 | Very high | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.3 | -31 | -177.6 | -173.2 | 61.2 | 0 | 0 | 0 | 112 | Y54 T57 A61 Y100 N114 V115 C116 | Y54-I112 HydrophobicContact CE2-CG2 4.27Å; T57-I112 HydrophobicContact CG2-CD1 3.9Å; T57-I112 HydrophobicContact CG2-CG1 4.02Å; A61-I112 HydrophobicContact CB-CD1 4.33Å; A61-I112 HydrophobicContact CB-CG1 4.37Å; Y100-I112 HydrophobicContact CD1-CD1 4.39Å; Y100-I112 HydrophobicContact CD2-CB 4.17Å; Y100-I112 HydrophobicContact CD2-CD1 3.88Å; Y100-I112 HydrophobicContact CE2-CB 4.17Å; Y100-I112 HydrophobicContact CG-CD1 3.74Å; I112-N114 VanDerWaalsContact C-N 3.35Å; I112-N114 PolarHBondContact O-N 3.34Å; I112-V115 HydrophobicContact CD1-CB 4.5Å; I112-V115 PolarHBondContact O-N 3.44Å; I112-C116 PolarHBondContact O-N 3.04Å; I112-C116 PolarHBondContact O-SG 3Å |
| 113 | R | 92.5 | Very high | 92.7 | Very high | 98 Ų | 98 | 58.7 Ų | 58.7 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 174.3 | -175.9 | -180 | 56.8 | 166.6 | 3.1 | 112 | Y54 D111 V115 C116 V117 | Y54-R113 HydrophobicContact CE2-CB 3.84Å; Y54-R113 HydrophobicContact CE2-CG 4.26Å; D111-R113 PolarHBondContact O-N 3.05Å; D111-R113 VanDerWaalsContact O-N 3.1Å; D111-R113 VanDerWaalsContact OD2-CB 3.22Å; D111-R113 WeakPolarHBondContact OD2-CB 3.34Å; D111-R113 IonicContact OD2-NE 3.94Å; R113-V115 VanDerWaalsContact C-N 3.32Å; R113-V115 PolarHBondContact O-N 2.92Å; R113-C116 WeakPolarHBondContact O-CB 3.49Å; R113-C116 PolarHBondContact O-N 3.29Å; R113-V117 HydrophobicContact CG-CG2 4.47Å; R113-V117 VanDerWaalsContact O-CG2 3.31Å; R113-V117 WeakPolarHBondContact O-CG2 3.35Å; R113-V117 PolarHBondContact O-N 3.5Å |
| 114 | N | 93.2 | Very high | 92.8 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.2 | -36.7 | -179.4 | -69.6 | -19.3 | 0 | 0 | 0 | 111.2 | I110 D111 I112 C116 V117 F118 | I110-N114 HydrophobicContact CG2-CB 3.75Å; D111-N114 WeakPolarHBondContact O-CB 3.35Å; D111-N114 PolarHBondContact O-N 3.25Å; I112-N114 VanDerWaalsContact C-N 3.35Å; I112-N114 PolarHBondContact O-N 3.34Å; N114-C116 VanDerWaalsContact C-N 3.32Å; N114-C116 PolarHBondContact O-N 3.23Å; N114-V117 PolarHBondContact O-N 3.13Å; N114-F118 HydrophobicContact CB-CD2 4.49Å; N114-F118 WeakPolarHBondContact O-CD2 3.3Å; N114-F118 PolarHBondContact O-N 3.11Å; N114-F118 VanDerWaalsContact O-N 3.08Å |
| 115 | V | 93.3 | Very high | 93 | Very high | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 173.1 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | I99 Y100 L103 I110 D111 I112 R113 L119 | I99-V115 HydrophobicContact CB-CG1 4.19Å; I99-V115 HydrophobicContact CG2-CG1 3.87Å; Y100-V115 HydrophobicContact CD2-CG2 4.38Å; L103-V115 HydrophobicContact CD1-CG2 4.26Å; I110-V115 HydrophobicContact CG2-CG2 3.93Å; D111-V115 PolarHBondContact O-N 3.49Å; I112-V115 HydrophobicContact CD1-CB 4.5Å; I112-V115 PolarHBondContact O-N 3.44Å; R113-V115 VanDerWaalsContact C-N 3.32Å; R113-V115 PolarHBondContact O-N 2.92Å; V115-L119 WeakPolarHBondContact O-CB 3.28Å; V115-L119 PolarHBondContact O-N 3.11Å; V115-L119 VanDerWaalsContact O-N 3.15Å |
| 116 | C | 94.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 178.2 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | Y54 I112 R113 N114 F118 L119 Y166 | Y54-C116 HydrophobicContact CD2-CB 4.39Å; I112-C116 PolarHBondContact O-N 3.04Å; I112-C116 PolarHBondContact O-SG 3Å; R113-C116 WeakPolarHBondContact O-CB 3.49Å; R113-C116 PolarHBondContact O-N 3.29Å; N114-C116 VanDerWaalsContact C-N 3.32Å; N114-C116 PolarHBondContact O-N 3.23Å; C116-F118 PolarHBondContact O-N 3.48Å; C116-L119 PolarHBondContact O-N 2.85Å; C116-Y166 HydrophobicContact CB-CD1 4.12Å; C116-Y166 HydrophobicContact CB-CD2 3.76Å; C116-Y166 HydrophobicContact CB-CE1 4.32Å; C116-Y166 HydrophobicContact CB-CE2 3.95Å; C116-Y166 HydrophobicContact CB-CG 3.83Å; C116-Y166 VanDerWaalsContact O-CD2 3.24Å; C116-Y166 WeakPolarHBondContact O-CD2 3.34Å |
| 117 | V | 93.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | -179.4 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | V38 I45 R113 N114 A163 G164 | V38-V117 HydrophobicContact CG2-CG1 3.97Å; I45-V117 HydrophobicContact CG1-CG2 4.33Å; R113-V117 HydrophobicContact CG-CG2 4.47Å; R113-V117 VanDerWaalsContact O-CG2 3.31Å; R113-V117 WeakPolarHBondContact O-CG2 3.35Å; R113-V117 PolarHBondContact O-N 3.5Å; N114-V117 PolarHBondContact O-N 3.13Å; V117-A163 WeakPolarHBondContact O-CA 3.34Å; V117-G164 PolarHBondContact O-N 3.27Å |
| 118 | F | 94.5 | Very high | 93.6 | Very high | 72 Ų | 72 | 36.3 Ų | 36.3 | 32% | 0.316 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -92.6 | 1.6 | -175.9 | -64.2 | -61.1 | 0 | 0 | 0 | 114.7 | F31 L35 V38 N114 C116 P121 L122 | F31-F118 HydrophobicContact CZ-CD1 4.35Å; L35-F118 HydrophobicContact CD2-CD1 4.11Å; L35-F118 HydrophobicContact CD2-CE1 3.9Å; V38-F118 HydrophobicContact CG1-CE1 4.38Å; V38-F118 HydrophobicContact CG1-CZ 4.25Å; N114-F118 HydrophobicContact CB-CD2 4.49Å; N114-F118 WeakPolarHBondContact O-CD2 3.3Å; N114-F118 PolarHBondContact O-N 3.11Å; N114-F118 VanDerWaalsContact O-N 3.08Å; C116-F118 PolarHBondContact O-N 3.48Å; F118-P121 WeakPolarHBondContact O-CD 3.46Å; F118-L122 PolarHBondContact O-N 2.79Å |
| 119 | L | 94.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -47.1 | -177.7 | -166.4 | 76.4 | 0 | 0 | 0 | 112.9 | L92 S96 I99 V115 C116 L122 F123 Y166 I171 | L92-L119 HydrophobicContact CD1-CD2 3.59Å; S96-L119 WeakPolarHBondContact OG-CD2 3.36Å; I99-L119 HydrophobicContact CD1-CD1 3.45Å; I99-L119 VanDerWaalsContact CD1-CD1 3.45Å; V115-L119 WeakPolarHBondContact O-CB 3.28Å; V115-L119 PolarHBondContact O-N 3.11Å; V115-L119 VanDerWaalsContact O-N 3.15Å; C116-L119 PolarHBondContact O-N 2.85Å; L119-L122 WeakPolarHBondContact O-CB 3.36Å; L119-L122 PolarHBondContact O-N 3.4Å; L119-F123 HydrophobicContact CD1-CD2 3.92Å; L119-F123 HydrophobicContact CD1-CE2 3.72Å; L119-F123 HydrophobicContact CG-CD2 3.85Å; L119-F123 HydrophobicContact CG-CE2 4.07Å; L119-F123 PolarHBondContact O-N 3.41Å; L119-Y166 HydrophobicContact CB-CD2 4.4Å; L119-Y166 HydrophobicContact CB-CE2 4.41Å; L119-Y166 HydrophobicContact CD2-CD2 4.26Å; L119-Y166 HydrophobicContact CD2-CE2 3.67Å; L119-I171 HydrophobicContact CD2-CD1 3.94Å; L119-I171 HydrophobicContact CD2-CG1 4.18Å |
| 120 | A | 94.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L122 F123 S124 | A120-L122 VanDerWaalsContact C-N 3.31Å; A120-L122 PolarHBondContact O-N 3.35Å; A120-F123 PolarHBondContact O-N 2.78Å; A120-S124 WeakPolarHBondContact O-CB 3.42Å; A120-S124 PolarHBondContact O-N 3.33Å |
| 121 | P | 94.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.2 | -39 | 170.7 | -27.3 | 33.5 | 0 | 0 | 0 | 114.4 | F31 R34 F118 S124 S125 A163 | F31-P121 HydrophobicContact CD2-CB 3.49Å; F31-P121 VanDerWaalsContact CD2-CB 3.49Å; F31-P121 HydrophobicContact CE2-CB 3.62Å; F31-P121 HydrophobicContact CG-CB 4.15Å; F31-P121 HydrophobicContact CZ-CB 4.37Å; R34-P121 HydrophobicContact CB-CB 4.34Å; R34-P121 HydrophobicContact CB-CG 4.01Å; F118-P121 WeakPolarHBondContact O-CD 3.46Å; P121-S124 PolarHBondContact O-N 3.04Å; P121-S125 PolarHBondContact O-N 3.23Å; P121-S125 PolarHBondContact O-OG 3.4Å; P121-S125 VanDerWaalsContact O-OG 3.07Å; P121-A163 HydrophobicContact CG-CB 3.75Å |
| 122 | L | 95.1 | Very high | 94.7 | Very high | 62 Ų | 62 | 24.7 Ų | 24.7 | 33% | 0.325 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -64.3 | -49.7 | 176.4 | 179.1 | 65.9 | 0 | 0 | 0 | 111.3 | I99 F118 L119 A120 S124 S125 F126 | I99-L122 HydrophobicContact CD1-CD2 4.38Å; F118-L122 PolarHBondContact O-N 2.79Å; L119-L122 WeakPolarHBondContact O-CB 3.36Å; L119-L122 PolarHBondContact O-N 3.4Å; A120-L122 VanDerWaalsContact C-N 3.31Å; A120-L122 PolarHBondContact O-N 3.35Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 3.45Å; L122-S125 VanDerWaalsContact O-CB 3.29Å; L122-S125 WeakPolarHBondContact O-CB 3.46Å; L122-S125 PolarHBondContact O-N 3.28Å; L122-S125 VanDerWaalsContact O-N 3.11Å; L122-F126 HydrophobicContact CD1-CE2 4.15Å; L122-F126 HydrophobicContact CD1-CZ 3.96Å; L122-F126 HydrophobicContact CD2-CE2 4.38Å; L122-F126 HydrophobicContact CG-CE2 3.9Å; L122-F126 HydrophobicContact CG-CZ 4.23Å; L122-F126 PolarHBondContact O-N 2.99Å |
| 123 | F | 95.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 6% | 0.057 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.8 | -27.9 | 178.6 | -89.5 | -94.3 | 0 | 0 | 0 | 113.2 | T95 I99 L119 A120 S125 F126 T127 G170 I171 F174 | T95-F123 HydrophobicContact CG2-CE2 3.72Å; T95-F123 HydrophobicContact CG2-CZ 3.53Å; I99-F123 HydrophobicContact CD1-CE2 4.42Å; L119-F123 HydrophobicContact CD1-CD2 3.92Å; L119-F123 HydrophobicContact CD1-CE2 3.72Å; L119-F123 HydrophobicContact CG-CD2 3.85Å; L119-F123 HydrophobicContact CG-CE2 4.07Å; L119-F123 PolarHBondContact O-N 3.41Å; A120-F123 PolarHBondContact O-N 2.78Å; F123-S125 VanDerWaalsContact C-N 3.29Å; F123-S125 PolarHBondContact O-N 2.81Å; F123-F126 HydrophobicContact CD1-CD2 4.42Å; F123-F126 PolarHBondContact O-N 2.94Å; F123-T127 WeakPolarHBondContact O-CB 3.46Å; F123-T127 PolarHBondContact O-N 3.43Å; F123-T127 PolarHBondContact O-OG1 3.25Å; F123-G170 WeakPolarHBondContact CB-O 3.27Å; F123-I171 HydrophobicContact CD1-CB 4.38Å; F123-I171 HydrophobicContact CD1-CG1 4.05Å; F123-I171 HydrophobicContact CD1-CG2 4.3Å; F123-I171 HydrophobicContact CD2-CG1 4.12Å; F123-I171 HydrophobicContact CE1-CG1 4.15Å; F123-I171 HydrophobicContact CE1-CG2 4.13Å; F123-I171 HydrophobicContact CE2-CD1 4.41Å; F123-I171 HydrophobicContact CE2-CG1 4.22Å; F123-I171 HydrophobicContact CG-CG1 4.03Å; F123-I171 HydrophobicContact CZ-CD1 4.33Å; F123-I171 HydrophobicContact CZ-CG1 4.25Å; F123-F174 HydrophobicContact CD1-CB 3.98Å; F123-F174 AromaticContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CE1 4.34Å; F123-F174 AromaticContact CD1-CG 3.87Å; F123-F174 HydrophobicContact CD1-CG 3.87Å; F123-F174 AromaticContact CE1-CD1 3.66Å; F123-F174 HydrophobicContact CE1-CD1 3.66Å; F123-F174 AromaticContact CE1-CE1 3.97Å; F123-F174 HydrophobicContact CE1-CE1 3.97Å; F123-F174 HydrophobicContact CE1-CG 4.32Å |
| 124 | S | 94.4 | Very high | 95 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | 170.8 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | S30 R34 A120 P121 L122 T127 T128 Y157 | S30-S124 PolarHBondContact OG-OG 2.94Å; R34-S124 PolarHBondContact NE-OG 2.92Å; R34-S124 PolarHBondContact NH1-OG 2.86Å; R34-S124 PolarHBondContact NH2-OG 2.98Å; A120-S124 WeakPolarHBondContact O-CB 3.42Å; A120-S124 PolarHBondContact O-N 3.33Å; P121-S124 PolarHBondContact O-N 3.04Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 3.45Å; S124-T127 WeakPolarHBondContact O-CB 3.31Å; S124-T127 PolarHBondContact O-N 3.38Å; S124-T128 PolarHBondContact O-N 2.71Å; S124-T128 PolarHBondContact O-OG1 2.9Å; S124-T128 VanDerWaalsContact O-OG1 3.05Å; S124-Y157 VanDerWaalsContact OG-CE1 3.29Å; S124-Y157 WeakPolarHBondContact OG-CE1 3.25Å |
| 125 | S | 95.2 | Very high | 95.1 | Very high | 13 Ų | 13 | 20.5 Ų | 20.5 | 9% | 0.091 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 174.7 | -56.1 | 0 | 0 | 0 | 0 | 111 | A27 P121 L122 F123 T128 I129 | A27-S125 PolarHBondContact O-OG 3.3Å; P121-S125 PolarHBondContact O-N 3.23Å; P121-S125 PolarHBondContact O-OG 3.4Å; P121-S125 VanDerWaalsContact O-OG 3.07Å; L122-S125 VanDerWaalsContact O-CB 3.29Å; L122-S125 WeakPolarHBondContact O-CB 3.46Å; L122-S125 PolarHBondContact O-N 3.28Å; L122-S125 VanDerWaalsContact O-N 3.11Å; F123-S125 VanDerWaalsContact C-N 3.29Å; F123-S125 PolarHBondContact O-N 2.81Å; S125-T128 WeakPolarHBondContact O-CB 3.18Å; S125-T128 PolarHBondContact O-N 2.97Å; S125-I129 PolarHBondContact O-N 2.87Å |
| 126 | F | 95.8 | Very high | 95.1 | Very high | 87 Ų | 87 | 24.6 Ų | 24.6 | 38% | 0.382 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -68 | -36.5 | 172.7 | -60.5 | -34.9 | 0 | 0 | 0 | 112.9 | L122 F123 T128 I129 V130 F174 | L122-F126 HydrophobicContact CD1-CE2 4.15Å; L122-F126 HydrophobicContact CD1-CZ 3.96Å; L122-F126 HydrophobicContact CD2-CE2 4.38Å; L122-F126 HydrophobicContact CG-CE2 3.9Å; L122-F126 HydrophobicContact CG-CZ 4.23Å; L122-F126 PolarHBondContact O-N 2.99Å; F123-F126 HydrophobicContact CD1-CD2 4.42Å; F123-F126 PolarHBondContact O-N 2.94Å; F126-T128 VanDerWaalsContact C-N 3.27Å; F126-T128 PolarHBondContact O-N 3.42Å; F126-I129 HydrophobicContact CD1-CD1 4.47Å; F126-I129 PolarHBondContact O-N 3.32Å; F126-I129 VanDerWaalsContact O-N 3.15Å; F126-V130 WeakPolarHBondContact O-CG2 3.31Å; F126-V130 PolarHBondContact O-N 3.24Å; F126-F174 HydrophobicContact CB-CD2 3.67Å; F126-F174 HydrophobicContact CB-CE2 3.57Å; F126-F174 HydrophobicContact CB-CZ 4.41Å |
| 127 | T | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 174.7 | -59.4 | 0 | 0 | 0 | 0 | 111 | F123 S124 I129 V130 T131 I151 Y157 I173 F174 L177 | F123-T127 WeakPolarHBondContact O-CB 3.46Å; F123-T127 PolarHBondContact O-N 3.43Å; F123-T127 PolarHBondContact O-OG1 3.25Å; S124-T127 WeakPolarHBondContact O-CB 3.31Å; S124-T127 PolarHBondContact O-N 3.38Å; T127-I129 PolarHBondContact O-N 3.42Å; T127-V130 PolarHBondContact O-N 3.38Å; T127-T131 WeakPolarHBondContact O-CB 3.41Å; T127-T131 PolarHBondContact O-N 2.75Å; T127-T131 PolarHBondContact O-OG1 3.5Å; T127-I151 HydrophobicContact CG2-CD1 3.85Å; T127-Y157 HydrophobicContact CG2-CE1 4.11Å; T127-Y157 PolarHBondContact OG1-OH 3.49Å; T127-I173 HydrophobicContact CG2-CG2 3.94Å; T127-F174 WeakPolarHBondContact OG1-CB 3.4Å; T127-L177 HydrophobicContact CG2-CD1 3.73Å |
| 128 | T | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 174.9 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | A26 S124 S125 F126 T131 Y132 A148 A152 | A26-T128 HydrophobicContact CB-CG2 3.84Å; S124-T128 PolarHBondContact O-N 2.71Å; S124-T128 PolarHBondContact O-OG1 2.9Å; S124-T128 VanDerWaalsContact O-OG1 3.05Å; S125-T128 WeakPolarHBondContact O-CB 3.18Å; S125-T128 PolarHBondContact O-N 2.97Å; F126-T128 VanDerWaalsContact C-N 3.27Å; F126-T128 PolarHBondContact O-N 3.42Å; T128-T131 PolarHBondContact O-N 3.49Å; T128-Y132 PolarHBondContact O-N 3.38Å; T128-Y132 VanDerWaalsContact O-N 3.16Å; T128-A148 HydrophobicContact CG2-CB 3.83Å; T128-A148 WeakPolarHBondContact CG2-O 3.13Å; T128-A152 HydrophobicContact CG2-CB 4.44Å |
| 129 | I | 95.7 | Very high | 94.7 | Very high | 64 Ų | 64 | 26.4 Ų | 26.4 | 33% | 0.328 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -66.5 | -44.1 | 178.8 | -63.1 | 168.9 | 0 | 0 | 0 | 111.3 | S125 F126 T127 T131 Y132 H133 | S125-I129 PolarHBondContact O-N 2.87Å; F126-I129 HydrophobicContact CD1-CD1 4.47Å; F126-I129 PolarHBondContact O-N 3.32Å; F126-I129 VanDerWaalsContact O-N 3.15Å; T127-I129 PolarHBondContact O-N 3.42Å; I129-T131 VanDerWaalsContact C-N 3.33Å; I129-T131 PolarHBondContact O-N 2.91Å; I129-Y132 WeakPolarHBondContact O-CB 3.38Å; I129-Y132 PolarHBondContact O-N 3.44Å; I129-H133 PolarHBondContact O-CD2 3.29Å; I129-H133 PolarHBondContact O-N 3.37Å |
| 130 | V | 95.8 | Very high | 94.6 | Very high | 13 Ų | 13 | 29 Ų | 29 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.4 | -38.5 | 178.6 | 175 | 0 | 0 | 0 | 0 | 111.2 | F126 T127 Y132 H133 L134 F174 L177 L178 | F126-V130 WeakPolarHBondContact O-CG2 3.31Å; F126-V130 PolarHBondContact O-N 3.24Å; T127-V130 PolarHBondContact O-N 3.38Å; V130-Y132 VanDerWaalsContact C-N 3.33Å; V130-Y132 PolarHBondContact O-N 2.86Å; V130-H133 PolarHBondContact O-N 2.85Å; V130-H133 VanDerWaalsContact O-N 3.15Å; V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-L134 PolarHBondContact O-N 2.89Å; V130-F174 HydrophobicContact CG2-CD2 3.88Å; V130-F174 HydrophobicContact CG2-CE2 3.48Å; V130-F174 VanDerWaalsContact CG2-CE2 3.48Å; V130-F174 HydrophobicContact CG2-CZ 4.5Å; V130-L177 HydrophobicContact CG1-CB 3.76Å; V130-L178 HydrophobicContact CG1-CB 4.3Å; V130-L178 HydrophobicContact CG2-CD1 4.3Å |
| 131 | T | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.8 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | T127 T128 I129 T135 A147 I151 L177 I416 | T127-T131 WeakPolarHBondContact O-CB 3.41Å; T127-T131 PolarHBondContact O-N 2.75Å; T127-T131 PolarHBondContact O-OG1 3.5Å; T128-T131 PolarHBondContact O-N 3.49Å; I129-T131 VanDerWaalsContact C-N 3.33Å; I129-T131 PolarHBondContact O-N 2.91Å; T131-T135 WeakPolarHBondContact O-CB 3.41Å; T131-T135 PolarHBondContact O-N 3.43Å; T131-T135 PolarHBondContact O-OG1 2.93Å; T131-A147 HydrophobicContact CG2-CB 4.01Å; T131-I151 HydrophobicContact CG2-CB 4.5Å; T131-I151 HydrophobicContact CG2-CD1 4.28Å; T131-I151 HydrophobicContact CG2-CG2 4.05Å; T131-I151 WeakPolarHBondContact OG1-CD1 3.26Å; T131-L177 VanDerWaalsContact OG1-CD1 3.24Å; T131-L177 WeakPolarHBondContact OG1-CD1 3.31Å; T131-I416 HydrophobicContact CG2-CG1 3.95Å |
| 132 | Y | 96.5 | Very high | 94.4 | Very high | 14 Ų | 14 | 31.1 Ų | 31.1 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.3 | -50.3 | 171.6 | 165.1 | -105.2 | 0 | 0 | 0 | 111.4 | L23 T128 I129 V130 T135 K136 G144 L145 | L23-Y132 HydrophobicContact CD1-CD1 3.74Å; L23-Y132 HydrophobicContact CD1-CD2 4.32Å; L23-Y132 HydrophobicContact CD1-CE1 3.74Å; L23-Y132 HydrophobicContact CD1-CE2 4.38Å; L23-Y132 HydrophobicContact CD1-CG 4.03Å; L23-Y132 HydrophobicContact CD2-CD1 4.17Å; L23-Y132 HydrophobicContact CD2-CD2 3.95Å; L23-Y132 HydrophobicContact CD2-CG 3.68Å; L23-Y132 HydrophobicContact CG-CG 4.47Å; T128-Y132 PolarHBondContact O-N 3.38Å; T128-Y132 VanDerWaalsContact O-N 3.16Å; I129-Y132 WeakPolarHBondContact O-CB 3.38Å; I129-Y132 PolarHBondContact O-N 3.44Å; V130-Y132 VanDerWaalsContact C-N 3.33Å; V130-Y132 PolarHBondContact O-N 2.86Å; Y132-T135 PolarHBondContact O-N 3.01Å; Y132-K136 HydrophobicContact CE1-CD 4.32Å; Y132-K136 WeakPolarHBondContact O-CB 3.44Å; Y132-K136 PolarHBondContact O-N 2.8Å; Y132-G144 VanDerWaalsContact CD2-C 3.47Å; Y132-L145 HydrophobicContact CD2-CD2 3.92Å; Y132-L145 HydrophobicContact CD2-CG 4.27Å; Y132-L145 HydrophobicContact CE2-CD2 3.79Å; Y132-L145 HydrophobicContact CE2-CG 3.99Å |
| 133 | H | 95.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 28.2 Ų | 28.2 | 32% | 0.315 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.4 | -43.1 | -179 | -78 | -66.3 | 0 | 0 | 0 | 112.8 | I129 V130 E137 Y181 | I129-H133 PolarHBondContact O-CD2 3.29Å; I129-H133 PolarHBondContact O-N 3.37Å; V130-H133 PolarHBondContact O-N 2.85Å; V130-H133 VanDerWaalsContact O-N 3.15Å; H133-E137 WeakPolarHBondContact O-CG 3.42Å; H133-E137 PolarHBondContact O-N 3.31Å; H133-Y181 HydrophobicContact CB-CD2 4.06Å; H133-Y181 HydrophobicContact CB-CE1 4.41Å; H133-Y181 HydrophobicContact CB-CE2 3.84Å; H133-Y181 HydrophobicContact CB-CG 4.46Å |
| 134 | L | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 176.1 | 178.4 | 58.8 | 0 | 0 | 0 | 111.2 | V130 E137 L177 I184 I416 | V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-L134 PolarHBondContact O-N 2.89Å; L134-E137 WeakPolarHBondContact O-CB 3.2Å; L134-E137 PolarHBondContact O-N 2.85Å; L134-L177 HydrophobicContact CD2-CD2 3.96Å; L134-I184 HydrophobicContact CD1-CD1 3.59Å; L134-I416 HydrophobicContact CD2-CD1 3.58Å; L134-I416 HydrophobicContact CG-CD1 4.27Å |
| 135 | T | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.7 | -35.8 | -177 | -51.8 | 0 | 0 | 0 | 0 | 112.3 | T131 Y132 E137 L138 K139 A143 A147 I416 I420 | T131-T135 WeakPolarHBondContact O-CB 3.41Å; T131-T135 PolarHBondContact O-N 3.43Å; T131-T135 PolarHBondContact O-OG1 2.93Å; Y132-T135 PolarHBondContact O-N 3.01Å; T135-E137 PolarHBondContact O-N 3.47Å; T135-L138 WeakPolarHBondContact O-CB 3.41Å; T135-L138 PolarHBondContact O-N 2.87Å; T135-K139 PolarHBondContact O-N 3.29Å; T135-A143 HydrophobicContact CG2-CB 3.95Å; T135-A147 HydrophobicContact CG2-CB 3.93Å; T135-A147 WeakPolarHBondContact OG1-CB 3.22Å; T135-I416 HydrophobicContact CG2-CG2 4.25Å; T135-I420 HydrophobicContact CG2-CG1 4.19Å |
| 136 | K | 94.5 | Very high | 94.3 | Very high | 96 Ų | 96 | 30 Ų | 30 | 42% | 0.417 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -57.4 | -34.9 | 173.4 | 179.3 | -177.8 | 175 | -176.8 | 0 | 111.6 | Y132 L138 | Y132-K136 HydrophobicContact CE1-CD 4.32Å; Y132-K136 WeakPolarHBondContact O-CB 3.44Å; Y132-K136 PolarHBondContact O-N 2.8Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.42Å |
| 137 | E | 93.1 | Very high | 94.3 | Very high | 52 Ų | 52 | 25.9 Ų | 25.9 | 24% | 0.243 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70 | -24.4 | 174.7 | -70 | -63.9 | 156.4 | 0 | 0 | 112.8 | H133 L134 T135 Y181 I184 K188 | H133-E137 WeakPolarHBondContact O-CG 3.42Å; H133-E137 PolarHBondContact O-N 3.31Å; L134-E137 WeakPolarHBondContact O-CB 3.2Å; L134-E137 PolarHBondContact O-N 2.85Å; T135-E137 PolarHBondContact O-N 3.47Å; E137-Y181 HydrophobicContact CG-CD2 4.21Å; E137-Y181 HydrophobicContact CG-CE2 3.9Å; E137-I184 HydrophobicContact CB-CG2 4.3Å; E137-K188 WeakPolarHBondContact O-CE 3.32Å; E137-K188 PolarHBondContact O-NZ 2.99Å; E137-K188 IonicContact OE2-NZ 2.82Å; E137-K188 PolarHBondContact OE2-NZ 2.91Å |
| 138 | L | 91.5 | Very high | 94.2 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -84.1 | -33.1 | -176.7 | -59.6 | 169.7 | 0 | 0 | 0 | 113.4 | T135 K136 I184 A385 R386 I389 I416 I420 | T135-L138 WeakPolarHBondContact O-CB 3.41Å; T135-L138 PolarHBondContact O-N 2.87Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.42Å; L138-I184 HydrophobicContact CD2-CD1 3.92Å; L138-A385 HydrophobicContact CD2-CB 4.04Å; L138-R386 PolarHBondContact O-NE 3.41Å; L138-R386 VanDerWaalsContact O-NE 3.15Å; L138-R386 PolarHBondContact O-NH2 2.67Å; L138-R386 VanDerWaalsContact O-NH2 3.16Å; L138-I389 HydrophobicContact CD1-CB 4.46Å; L138-I389 HydrophobicContact CD1-CD1 4.04Å; L138-I389 HydrophobicContact CD1-CG1 3.59Å; L138-I389 HydrophobicContact CD1-CG2 4.44Å; L138-I389 HydrophobicContact CD2-CG1 3.57Å; L138-I389 HydrophobicContact CG-CG1 4.21Å; L138-I416 HydrophobicContact CD1-CG2 3.5Å; L138-I420 HydrophobicContact CB-CD1 4.07Å; L138-I420 HydrophobicContact CD1-CD1 4.01Å |
| 139 | K | 88.8 | Confident | 94.2 | Very high | 54 Ų | 54 | 28 Ų | 28 | 24% | 0.235 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -143 | -85.2 | -174.5 | -170.3 | -172.8 | 173.5 | -168.7 | 0 | 112.3 | T135 A143 I420 S423 Q424 | T135-K139 PolarHBondContact O-N 3.29Å; K139-A143 HydrophobicContact CB-CB 4.35Å; K139-A143 HydrophobicContact CD-CB 4.11Å; K139-I420 HydrophobicContact CB-CG1 4.49Å; K139-I420 HydrophobicContact CD-CG2 4.15Å; K139-I420 PolarHBondContact NZ-O 2.91Å; K139-S423 PolarHBondContact NZ-OG 3.44Å; K139-Q424 VanDerWaalsContact NZ-CA 3.26Å |
| 140 | D | 91.7 | Very high | 94.1 | Very high | 58 Ų | 58 | 25.2 Ų | 25.2 | 31% | 0.31 | 14% | 0.139 | S | C | . | . | trans | -154 | 167 | -171.1 | 72.6 | -56.7 | 0 | 0 | 0 | 111 | G142 A143 G144 S423 | D140-G142 VanDerWaalsContact C-N 3.25Å; D140-G142 PolarHBondContact O-N 3.48Å; D140-G142 WeakPolarHBondContact OD2-CA 3.42Å; D140-G142 PolarHBondContact OD2-N 3.3Å; D140-G142 VanDerWaalsContact OD2-N 3.09Å; D140-A143 PolarHBondContact O-N 3.11Å; D140-A143 VanDerWaalsContact OD1-CB 3.24Å; D140-A143 WeakPolarHBondContact OD1-CB 3.31Å; D140-A143 PolarHBondContact OD1-N 2.98Å; D140-G144 PolarHBondContact O-N 3.14Å; D140-S423 PolarHBondContact OD1-OG 3.3Å | ||
| 141 | A | 92.4 | Very high | 94.1 | Very high | 20 Ų | 20 | 24.6 Ų | 24.6 | 17% | 0.165 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -30.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | G144 L145 | A141-G144 PolarHBondContact O-N 3.09Å; A141-L145 WeakPolarHBondContact O-CG 3.19Å; A141-L145 PolarHBondContact O-N 2.87Å |
| 142 | G | 92.2 | Very high | 94 | Very high | 32 Ų | 32 | 24.6 Ų | 24.6 | 33% | 0.33 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D140 G144 L145 L146 | D140-G142 VanDerWaalsContact C-N 3.25Å; D140-G142 PolarHBondContact O-N 3.48Å; D140-G142 WeakPolarHBondContact OD2-CA 3.42Å; D140-G142 PolarHBondContact OD2-N 3.3Å; D140-G142 VanDerWaalsContact OD2-N 3.09Å; G142-G144 VanDerWaalsContact C-N 3.25Å; G142-G144 PolarHBondContact O-N 2.9Å; G142-L145 PolarHBondContact O-N 2.9Å; G142-L146 PolarHBondContact O-N 3.41Å |
| 143 | A | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -37.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T135 K139 D140 L146 A147 I420 | T135-A143 HydrophobicContact CG2-CB 3.95Å; K139-A143 HydrophobicContact CB-CB 4.35Å; K139-A143 HydrophobicContact CD-CB 4.11Å; D140-A143 PolarHBondContact O-N 3.11Å; D140-A143 VanDerWaalsContact OD1-CB 3.24Å; D140-A143 WeakPolarHBondContact OD1-CB 3.31Å; D140-A143 PolarHBondContact OD1-N 2.98Å; A143-L146 PolarHBondContact O-N 3.21Å; A143-A147 WeakPolarHBondContact O-CB 3.22Å; A143-A147 PolarHBondContact O-N 2.9Å; A143-I420 HydrophobicContact CB-CG1 4.17Å |
| 144 | G | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y132 D140 A141 G142 A147 A148 | Y132-G144 VanDerWaalsContact CD2-C 3.47Å; D140-G144 PolarHBondContact O-N 3.14Å; A141-G144 PolarHBondContact O-N 3.09Å; G142-G144 VanDerWaalsContact C-N 3.25Å; G142-G144 PolarHBondContact O-N 2.9Å; G144-A147 PolarHBondContact O-N 2.94Å; G144-A148 WeakPolarHBondContact O-CB 3.47Å; G144-A148 PolarHBondContact O-N 3.48Å |
| 145 | L | 95 | Very high | 93.8 | Very high | 26 Ų | 26 | 20.9 Ų | 20.9 | 14% | 0.136 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66 | -40.5 | 178.1 | -69 | 176 | 0 | 0 | 0 | 111.4 | K19 I22 L23 Y132 A141 G142 A148 A149 | K19-L145 HydrophobicContact CG-CD1 4.13Å; I22-L145 HydrophobicContact CB-CD2 4.26Å; I22-L145 HydrophobicContact CD1-CD1 4.02Å; I22-L145 HydrophobicContact CG2-CB 4.4Å; I22-L145 HydrophobicContact CG2-CD2 3.98Å; L23-L145 HydrophobicContact CD1-CD2 4.31Å; L23-L145 HydrophobicContact CD2-CD2 3.88Å; L23-L145 HydrophobicContact CG-CD2 3.73Å; Y132-L145 HydrophobicContact CD2-CD2 3.92Å; Y132-L145 HydrophobicContact CD2-CG 4.27Å; Y132-L145 HydrophobicContact CE2-CD2 3.79Å; Y132-L145 HydrophobicContact CE2-CG 3.99Å; A141-L145 WeakPolarHBondContact O-CG 3.19Å; A141-L145 PolarHBondContact O-N 2.87Å; G142-L145 PolarHBondContact O-N 2.9Å; L145-A148 PolarHBondContact O-N 2.94Å; L145-A149 PolarHBondContact O-N 3.36Å |
| 146 | L | 94.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 21 Ų | 21 | 20% | 0.204 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 175.6 | -74.2 | 169.8 | 0 | 0 | 0 | 111.8 | G142 A143 A148 A149 M150 V422 L426 | G142-L146 PolarHBondContact O-N 3.41Å; A143-L146 PolarHBondContact O-N 3.21Å; L146-A148 VanDerWaalsContact C-N 3.3Å; L146-A148 PolarHBondContact O-N 2.82Å; L146-A149 PolarHBondContact O-N 2.74Å; L146-M150 WeakPolarHBondContact O-CB 3.13Å; L146-M150 VanDerWaalsContact O-CG 3.26Å; L146-M150 WeakPolarHBondContact O-CG 3.28Å; L146-M150 PolarHBondContact O-N 2.9Å; L146-V422 HydrophobicContact CD1-CB 4.32Å; L146-V422 HydrophobicContact CD1-CG1 3.94Å; L146-L426 HydrophobicContact CD1-CD1 4.22Å |
| 147 | A | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62 | -39 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | T131 T135 A143 G144 M150 I151 | T131-A147 HydrophobicContact CG2-CB 4.01Å; T135-A147 HydrophobicContact CG2-CB 3.93Å; T135-A147 WeakPolarHBondContact OG1-CB 3.22Å; A143-A147 WeakPolarHBondContact O-CB 3.22Å; A143-A147 PolarHBondContact O-N 2.9Å; G144-A147 PolarHBondContact O-N 2.94Å; A147-M150 PolarHBondContact O-N 3.33Å; A147-I151 WeakPolarHBondContact O-CG2 3.5Å; A147-I151 PolarHBondContact O-N 3.49Å |
| 148 | A | 95.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.5 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L23 T128 G144 L145 L146 I151 A152 | L23-A148 HydrophobicContact CD2-CB 4.05Å; T128-A148 HydrophobicContact CG2-CB 3.83Å; T128-A148 WeakPolarHBondContact CG2-O 3.13Å; G144-A148 WeakPolarHBondContact O-CB 3.47Å; G144-A148 PolarHBondContact O-N 3.48Å; L145-A148 PolarHBondContact O-N 2.94Å; L146-A148 VanDerWaalsContact C-N 3.3Å; L146-A148 PolarHBondContact O-N 2.82Å; A148-I151 WeakPolarHBondContact O-CG2 3.25Å; A148-A152 WeakPolarHBondContact O-CB 3.43Å; A148-A152 PolarHBondContact O-N 3.24Å |
| 149 | A | 94.6 | Very high | 93.5 | Very high | 44 Ų | 44 | 15.2 Ų | 15.2 | 36% | 0.364 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -65.2 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L145 L146 | L145-A149 PolarHBondContact O-N 3.36Å; L146-A149 PolarHBondContact O-N 2.74Å |
| 150 | M | 94.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 3% | 0.03 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67 | -45.9 | 179.4 | -72.2 | 171.8 | -179.8 | 0 | 0 | 112.5 | L146 A147 A152 V153 V154 L367 C415 V422 L468 Y471 | L146-M150 WeakPolarHBondContact O-CB 3.13Å; L146-M150 VanDerWaalsContact O-CG 3.26Å; L146-M150 WeakPolarHBondContact O-CG 3.28Å; L146-M150 PolarHBondContact O-N 2.9Å; A147-M150 PolarHBondContact O-N 3.33Å; M150-A152 VanDerWaalsContact C-N 3.29Å; M150-A152 PolarHBondContact O-N 2.99Å; M150-V153 PolarHBondContact O-N 3.33Å; M150-V154 PolarHBondContact O-N 3.42Å; M150-V154 VanDerWaalsContact O-N 3.16Å; M150-L367 HydrophobicContact CB-CD2 4.39Å; M150-L367 HydrophobicContact CG-CD2 4.26Å; M150-L367 HydrophobicContact SD-CD2 3.72Å; M150-C415 HydrophobicContact CB-CB 4.17Å; M150-V422 HydrophobicContact CE-CB 4.23Å; M150-V422 HydrophobicContact CE-CG2 3.89Å; M150-L468 HydrophobicContact CE-CD2 3.83Å; M150-Y471 HydrophobicContact CG-CE1 4.46Å; M150-Y471 PolarHBondContact O-OH 3.5Å; M150-Y471 VanDerWaalsContact O-OH 3.07Å |
| 151 | I | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -70.5 | -26.3 | -179.4 | -161.2 | 170 | 0 | 0 | 0 | 112.6 | T127 T131 A147 A148 V153 V154 Y157 L177 P412 C415 | T127-I151 HydrophobicContact CG2-CD1 3.85Å; T131-I151 HydrophobicContact CG2-CB 4.5Å; T131-I151 HydrophobicContact CG2-CD1 4.28Å; T131-I151 HydrophobicContact CG2-CG2 4.05Å; T131-I151 WeakPolarHBondContact OG1-CD1 3.26Å; A147-I151 WeakPolarHBondContact O-CG2 3.5Å; A147-I151 PolarHBondContact O-N 3.49Å; A148-I151 WeakPolarHBondContact O-CG2 3.25Å; I151-V153 PolarHBondContact O-N 3.13Å; I151-V154 HydrophobicContact CG1-CG1 4.16Å; I151-Y157 HydrophobicContact CG1-CD1 4.39Å; I151-L177 HydrophobicContact CD1-CD1 4.02Å; I151-P412 HydrophobicContact CD1-CB 4.01Å; I151-P412 HydrophobicContact CD1-CG 4.26Å; I151-C415 HydrophobicContact CB-CB 4.15Å |
| 152 | A | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.4 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A26 R34 T128 A148 M150 | A26-A152 WeakPolarHBondContact O-CB 3.48Å; R34-A152 PolarHBondContact NH1-O 3.09Å; T128-A152 HydrophobicContact CG2-CB 4.44Å; A148-A152 WeakPolarHBondContact O-CB 3.43Å; A148-A152 PolarHBondContact O-N 3.24Å; M150-A152 VanDerWaalsContact C-N 3.29Å; M150-A152 PolarHBondContact O-N 2.99Å |
| 153 | V | 94.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 10.2 Ų | 10.2 | 2% | 0.024 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -111.7 | -2.1 | -174.3 | -57.7 | 0 | 0 | 0 | 0 | 114.5 | L29 T33 M150 I151 P155 I158 Y471 S475 | L29-V153 HydrophobicContact CD2-CG1 3.58Å; L29-V153 HydrophobicContact CG-CG1 3.86Å; T33-V153 HydrophobicContact CG2-CG1 4.33Å; M150-V153 PolarHBondContact O-N 3.33Å; I151-V153 PolarHBondContact O-N 3.13Å; V153-P155 VanDerWaalsContact O-CD 3.28Å; V153-P155 WeakPolarHBondContact O-CD 3.24Å; V153-I158 VanDerWaalsContact O-CD1 3.24Å; V153-I158 WeakPolarHBondContact O-CD1 3.35Å; V153-Y471 HydrophobicContact CG2-CD1 4.29Å; V153-Y471 HydrophobicContact CG2-CE1 3.53Å; V153-S475 VanDerWaalsContact O-CB 3.27Å; V153-S475 WeakPolarHBondContact O-CB 3.27Å |
| 154 | V | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -63.9 | 120.6 | -172.2 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | M150 I151 G156 Y157 I158 L364 L367 A411 Y471 | M150-V154 PolarHBondContact O-N 3.42Å; M150-V154 VanDerWaalsContact O-N 3.16Å; I151-V154 HydrophobicContact CG1-CG1 4.16Å; V154-G156 VanDerWaalsContact C-N 3.32Å; V154-G156 PolarHBondContact O-N 3.42Å; V154-Y157 PolarHBondContact O-N 3.34Å; V154-Y157 VanDerWaalsContact O-N 3.17Å; V154-I158 WeakPolarHBondContact O-CG1 3.43Å; V154-I158 PolarHBondContact O-N 3.28Å; V154-I158 VanDerWaalsContact O-N 3.08Å; V154-L364 HydrophobicContact CG2-CD2 3.91Å; V154-L367 HydrophobicContact CG2-CD1 3.81Å; V154-A411 HydrophobicContact CG1-CB 4.44Å; V154-A411 HydrophobicContact CG2-CB 4.46Å; V154-Y471 WeakPolarHBondContact CA-OH 3.13Å; V154-Y471 WeakPolarHBondContact CB-OH 3.06Å | ||
| 155 | P | 93.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.7 | -38.5 | -178.1 | -28.2 | 35.4 | 0 | 0 | 0 | 114.2 | V153 Y157 I158 S159 D363 V478 Y483 | V153-P155 VanDerWaalsContact O-CD 3.28Å; V153-P155 WeakPolarHBondContact O-CD 3.24Å; P155-Y157 PolarHBondContact O-N 3.17Å; P155-I158 PolarHBondContact O-N 3.16Å; P155-S159 PolarHBondContact O-N 2.76Å; P155-D363 VanDerWaalsContact CD-O 3.31Å; P155-D363 WeakPolarHBondContact CD-O 3.44Å; P155-V478 HydrophobicContact CB-CB 4.33Å; P155-V478 HydrophobicContact CB-CG1 3.75Å; P155-V478 HydrophobicContact CG-CB 4.2Å; P155-V478 HydrophobicContact CG-CG1 4.15Å; P155-Y483 HydrophobicContact CB-CE2 3.96Å |
| 156 | G | 90.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.1 | -32.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | V154 S159 D363 | V154-G156 VanDerWaalsContact C-N 3.32Å; V154-G156 PolarHBondContact O-N 3.42Å; G156-S159 PolarHBondContact O-OG 3.4Å; G156-D363 PolarHBondContact N-O 3.23Å |
| 157 | Y | 93.7 | Very high | 93 | Very high | 1 Ų | 1 | 8 Ų | 8 | 0% | 0.004 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -85.5 | -35.5 | 172.9 | 179.8 | -136.2 | 0 | 0 | 0 | 112.4 | S124 T127 I151 V154 P155 S159 S161 I173 L408 | S124-Y157 VanDerWaalsContact OG-CE1 3.29Å; S124-Y157 WeakPolarHBondContact OG-CE1 3.25Å; T127-Y157 HydrophobicContact CG2-CE1 4.11Å; T127-Y157 PolarHBondContact OG1-OH 3.49Å; I151-Y157 HydrophobicContact CG1-CD1 4.39Å; V154-Y157 PolarHBondContact O-N 3.34Å; V154-Y157 VanDerWaalsContact O-N 3.17Å; P155-Y157 PolarHBondContact O-N 3.17Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 3.06Å; Y157-S161 WeakPolarHBondContact O-CB 3.33Å; Y157-S161 PolarHBondContact O-N 2.87Å; Y157-S161 PolarHBondContact O-OG 3.49Å; Y157-I173 HydrophobicContact CD2-CB 4.34Å; Y157-I173 HydrophobicContact CD2-CG1 4.09Å; Y157-I173 HydrophobicContact CD2-CG2 4.24Å; Y157-I173 HydrophobicContact CE2-CB 3.71Å; Y157-I173 HydrophobicContact CE2-CG1 3.77Å; Y157-I173 HydrophobicContact CE2-CG2 3.91Å; Y157-L408 HydrophobicContact CD2-CD1 3.87Å |
| 158 | I | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.9 | -37.5 | 179.3 | -70.3 | 170.4 | 0 | 0 | 0 | 111.4 | R34 V153 V154 P155 R160 S161 V162 T479 | R34-I158 HydrophobicContact CG-CG2 4.45Å; R34-I158 VanDerWaalsContact NH2-CG1 3.3Å; V153-I158 VanDerWaalsContact O-CD1 3.24Å; V153-I158 WeakPolarHBondContact O-CD1 3.35Å; V154-I158 WeakPolarHBondContact O-CG1 3.43Å; V154-I158 PolarHBondContact O-N 3.28Å; V154-I158 VanDerWaalsContact O-N 3.08Å; P155-I158 PolarHBondContact O-N 3.16Å; I158-R160 PolarHBondContact O-N 3.31Å; I158-S161 WeakPolarHBondContact CA-OG 3.47Å; I158-S161 CarbonylContact O-C 3.44Å; I158-S161 PolarHBondContact O-N 3.36Å; I158-V162 HydrophobicContact CG2-CG2 3.85Å; I158-V162 WeakPolarHBondContact O-CG2 3.46Å; I158-V162 PolarHBondContact O-N 3.46Å; I158-T479 HydrophobicContact CD1-CG2 4.42Å; I158-T479 WeakPolarHBondContact CD1-OG1 3.2Å; I158-T479 HydrophobicContact CG2-CG2 3.59Å |
| 159 | S | 90.5 | Very high | 92.6 | Very high | 34 Ų | 34 | 9.2 Ų | 9.2 | 24% | 0.238 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -36.3 | -178.9 | 68 | 0 | 0 | 0 | 0 | 115.1 | P155 G156 Y157 Y483 | P155-S159 PolarHBondContact O-N 2.76Å; G156-S159 PolarHBondContact O-OG 3.4Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 3.06Å; S159-Y483 VanDerWaalsContact CB-CE1 3.43Å |
| 160 | R | 89.9 | Confident | 92.1 | Very high | 54 Ų | 54 | 7.2 Ų | 7.2 | 20% | 0.204 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 14.1 | 178.4 | -62.8 | -69.5 | 176 | 147.6 | -5.2 | 113.6 | I158 D167 E169 E351 L408 | I158-R160 PolarHBondContact O-N 3.31Å; R160-D167 IonicContact NH1-OD2 3.83Å; R160-E169 HydrophobicContact CB-CB 4.16Å; R160-E351 IonicContact CZ-OE1 3.48Å; R160-E351 VanDerWaalsContact CZ-OE1 3.26Å; R160-E351 IonicContact NH1-OE1 3.71Å; R160-E351 PolarHBondContact NH1-OE1 3.34Å; R160-E351 IonicContact NH2-OE1 2.86Å; R160-E351 PolarHBondContact NH2-OE1 3.29Å; R160-L408 HydrophobicContact CB-CD1 4.1Å |
| 161 | S | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 11.6 | 176.9 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | R34 Y157 I158 | R34-S161 WeakPolarHBondContact CD-O 3.3Å; R34-S161 PolarHBondContact NE-OG 3.39Å; R34-S161 PolarHBondContact NH2-OG 3.29Å; Y157-S161 WeakPolarHBondContact O-CB 3.33Å; Y157-S161 PolarHBondContact O-N 2.87Å; Y157-S161 PolarHBondContact O-OG 3.49Å; I158-S161 WeakPolarHBondContact CA-OG 3.47Å; I158-S161 CarbonylContact O-C 3.44Å; I158-S161 PolarHBondContact O-N 3.36Å |
| 162 | V | 92.8 | Very high | 92 | Very high | 5 Ų | 5 | 7 Ų | 7 | 3% | 0.03 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -58.4 | 145.8 | 170.5 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | A37 I158 G164 S165 | A37-V162 HydrophobicContact CB-CG1 3.93Å; I158-V162 HydrophobicContact CG2-CG2 3.85Å; I158-V162 WeakPolarHBondContact O-CG2 3.46Å; I158-V162 PolarHBondContact O-N 3.46Å; V162-G164 PolarHBondContact O-N 2.93Å; V162-S165 WeakPolarHBondContact O-CB 3.09Å; V162-S165 PolarHBondContact O-N 2.62Å |
| 163 | A | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 130.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | R34 L35 V38 H46 V117 P121 | R34-A163 VanDerWaalsContact O-CB 3.26Å; R34-A163 WeakPolarHBondContact O-CB 3.31Å; R34-A163 PolarHBondContact O-N 3.26Å; L35-A163 HydrophobicContact CD2-CB 4.07Å; V38-A163 HydrophobicContact CG2-CB 3.61Å; H46-A163 PolarHBondContact CD2-O 2.73Å; H46-A163 VanDerWaalsContact CD2-O 3.31Å; H46-A163 PolarHBondContact NE2-O 2.86Å; V117-A163 WeakPolarHBondContact O-CA 3.34Å; P121-A163 HydrophobicContact CG-CB 3.75Å |
| 164 | G | 89.2 | Confident | 92 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | -22.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V44 I45 H46 V117 V162 Y166 | V44-G164 WeakPolarHBondContact O-CA 3.19Å; I45-G164 WeakPolarHBondContact CA-O 3.45Å; H46-G164 PolarHBondContact N-O 3.06Å; V117-G164 PolarHBondContact O-N 3.27Å; V162-G164 PolarHBondContact O-N 2.93Å; G164-Y166 VanDerWaalsContact C-N 3.31Å; G164-Y166 PolarHBondContact O-N 3.08Å |
| 165 | S | 90.4 | Very high | 92.1 | Very high | 8 Ų | 8 | 8.2 Ų | 8.2 | 6% | 0.056 | 4% | 0.042 | C | C | . | . | trans | -80.6 | 75.2 | 173.4 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | V162 D167 | V162-S165 WeakPolarHBondContact O-CB 3.09Å; V162-S165 PolarHBondContact O-N 2.62Å; S165-D167 PolarHBondContact O-N 2.89Å | ||
| 166 | Y | 92.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 8.2 Ų | 8.2 | 1% | 0.012 | 4% | 0.042 | C | C | . | . | trans | -78.4 | 64 | 178.8 | -174.4 | -113 | 0 | 0 | 0 | 112 | P50 N53 T57 L92 S96 C116 L119 G164 | P50-Y166 WeakPolarHBondContact CA-O 3.2Å; P50-Y166 WeakPolarHBondContact CB-O 3.26Å; N53-Y166 HydrophobicContact CB-CD1 3.48Å; N53-Y166 VanDerWaalsContact CB-CD1 3.48Å; N53-Y166 HydrophobicContact CB-CE1 3.52Å; N53-Y166 PolarHBondContact ND2-O 3.39Å; T57-Y166 PolarHBondContact OG1-OH 2.87Å; L92-Y166 HydrophobicContact CD1-CD2 4.16Å; L92-Y166 HydrophobicContact CD1-CE2 3.61Å; L92-Y166 HydrophobicContact CD2-CD1 4.2Å; L92-Y166 HydrophobicContact CD2-CD2 4.41Å; L92-Y166 HydrophobicContact CD2-CE1 3.89Å; L92-Y166 HydrophobicContact CD2-CE2 4.13Å; L92-Y166 HydrophobicContact CD2-CG 4.45Å; L92-Y166 HydrophobicContact CG-CD2 4.47Å; L92-Y166 HydrophobicContact CG-CE1 4.1Å; L92-Y166 HydrophobicContact CG-CE2 3.79Å; L92-Y166 PolarHBondContact O-OH 2.91Å; S96-Y166 WeakPolarHBondContact CB-OH 3.34Å; S96-Y166 VanDerWaalsContact OG-CE2 3.3Å; S96-Y166 WeakPolarHBondContact OG-CE2 3.48Å; S96-Y166 PolarHBondContact OG-OH 2.66Å; C116-Y166 HydrophobicContact CB-CD1 4.12Å; C116-Y166 HydrophobicContact CB-CD2 3.76Å; C116-Y166 HydrophobicContact CB-CE1 4.32Å; C116-Y166 HydrophobicContact CB-CE2 3.95Å; C116-Y166 HydrophobicContact CB-CG 3.83Å; C116-Y166 VanDerWaalsContact O-CD2 3.24Å; C116-Y166 WeakPolarHBondContact O-CD2 3.34Å; L119-Y166 HydrophobicContact CB-CD2 4.4Å; L119-Y166 HydrophobicContact CB-CE2 4.41Å; L119-Y166 HydrophobicContact CD2-CD2 4.26Å; L119-Y166 HydrophobicContact CD2-CE2 3.67Å; G164-Y166 VanDerWaalsContact C-N 3.31Å; G164-Y166 PolarHBondContact O-N 3.08Å | ||
| 167 | D | 92.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 8.1 Ų | 8.1 | 4% | 0.037 | 4% | 0.042 | C | C | . | . | trans | -109.3 | 161.8 | 178.6 | -152.1 | -4.6 | 0 | 0 | 0 | 111.8 | P50 R160 S165 E169 G170 | P50-D167 HydrophobicContact CG-CB 4.29Å; R160-D167 IonicContact NH1-OD2 3.83Å; S165-D167 PolarHBondContact O-N 2.89Å; D167-E169 PolarHBondContact O-N 3.28Å; D167-G170 PolarHBondContact O-N 3.17Å | ||
| 168 | N | 91.9 | Very high | 92.5 | Very high | 25 Ų | 25 | 9.8 Ų | 9.8 | 13% | 0.134 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32.8 | -174.4 | -66.4 | -51.8 | 0 | 0 | 0 | 112.4 | G170 I171 A172 S208 W209 | N168-G170 PolarHBondContact O-N 3Å; N168-I171 PolarHBondContact O-N 2.98Å; N168-A172 WeakPolarHBondContact O-CB 3.37Å; N168-A172 PolarHBondContact O-N 3.43Å; N168-S208 WeakPolarHBondContact CB-O 3.35Å; N168-S208 PolarHBondContact OD1-O 2.77Å; N168-W209 HydrophobicContact CB-CB 4.45Å |
| 169 | E | 89.1 | Confident | 92.7 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.009 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -53.9 | -34 | 177.7 | -78.9 | 74.9 | -175.8 | 0 | 0 | 113.1 | R160 D167 I171 A172 I173 W209 R405 L408 | R160-E169 HydrophobicContact CB-CB 4.16Å; D167-E169 PolarHBondContact O-N 3.28Å; E169-I171 VanDerWaalsContact C-N 3.28Å; E169-I171 PolarHBondContact O-N 2.6Å; E169-A172 PolarHBondContact O-N 2.87Å; E169-I173 PolarHBondContact O-N 3.29Å; E169-W209 PolarHBondContact OE1-NE1 3.18Å; E169-R405 IonicContact OE1-CZ 2.77Å; E169-R405 VanDerWaalsContact OE1-CZ 3.28Å; E169-R405 IonicContact OE1-NE 3.61Å; E169-R405 PolarHBondContact OE1-NE 3.07Å; E169-R405 VanDerWaalsContact OE1-NE 3.08Å; E169-R405 IonicContact OE1-NH2 3.21Å; E169-R405 PolarHBondContact OE1-NH2 3.11Å; E169-R405 IonicContact OE2-NH2 2.61Å; E169-L408 HydrophobicContact CB-CD2 3.62Å; E169-L408 HydrophobicContact CG-CD2 3.32Å |
| 170 | G | 85.6 | Confident | 92.9 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 2% | 0.021 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -59.4 | -38.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F123 D167 N168 | F123-G170 WeakPolarHBondContact CB-O 3.27Å; D167-G170 PolarHBondContact O-N 3.17Å; N168-G170 PolarHBondContact O-N 3Å |
| 171 | I | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -89.5 | -36.3 | 174.1 | -65.1 | -177.3 | 0 | 0 | 0 | 111.2 | L92 T95 L119 F123 N168 E169 I173 F174 C175 Y204 S208 | L92-I171 HydrophobicContact CB-CD1 4.43Å; L92-I171 HydrophobicContact CD1-CD1 3.55Å; L92-I171 HydrophobicContact CD1-CG1 3.96Å; T95-I171 HydrophobicContact CG2-CD1 3.94Å; L119-I171 HydrophobicContact CD2-CD1 3.94Å; L119-I171 HydrophobicContact CD2-CG1 4.18Å; F123-I171 HydrophobicContact CD1-CB 4.38Å; F123-I171 HydrophobicContact CD1-CG1 4.05Å; F123-I171 HydrophobicContact CD1-CG2 4.3Å; F123-I171 HydrophobicContact CD2-CG1 4.12Å; F123-I171 HydrophobicContact CE1-CG1 4.15Å; F123-I171 HydrophobicContact CE1-CG2 4.13Å; F123-I171 HydrophobicContact CE2-CD1 4.41Å; F123-I171 HydrophobicContact CE2-CG1 4.22Å; F123-I171 HydrophobicContact CG-CG1 4.03Å; F123-I171 HydrophobicContact CZ-CD1 4.33Å; F123-I171 HydrophobicContact CZ-CG1 4.25Å; N168-I171 PolarHBondContact O-N 2.98Å; E169-I171 VanDerWaalsContact C-N 3.28Å; E169-I171 PolarHBondContact O-N 2.6Å; I171-I173 VanDerWaalsContact C-N 3.31Å; I171-I173 PolarHBondContact O-N 3.49Å; I171-F174 WeakPolarHBondContact O-CB 3.45Å; I171-F174 PolarHBondContact O-N 2.9Å; I171-F174 VanDerWaalsContact O-N 3.08Å; I171-C175 WeakPolarHBondContact CG2-SG 2.86Å; I171-C175 PolarHBondContact O-N 3.28Å; I171-C175 PolarHBondContact O-SG 3.44Å; I171-C175 VanDerWaalsContact O-SG 3.36Å; I171-Y204 HydrophobicContact CG2-CE1 3.99Å; I171-Y204 WeakPolarHBondContact CG2-OH 3.43Å; I171-S208 WeakPolarHBondContact CG2-OG 3.27Å |
| 172 | A | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -57.6 | -40.8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.5 | N168 E169 F174 C175 M176 M205 W209 | N168-A172 WeakPolarHBondContact O-CB 3.37Å; N168-A172 PolarHBondContact O-N 3.43Å; E169-A172 PolarHBondContact O-N 2.87Å; A172-F174 PolarHBondContact O-N 3.09Å; A172-C175 PolarHBondContact O-N 2.94Å; A172-M176 VanDerWaalsContact O-CB 3.32Å; A172-M176 WeakPolarHBondContact O-CB 3.38Å; A172-M176 PolarHBondContact O-N 3.06Å; A172-M205 HydrophobicContact CB-CE 4.46Å; A172-M205 HydrophobicContact CB-SD 4.34Å; A172-W209 HydrophobicContact CB-CB 3.54Å; A172-W209 HydrophobicContact CB-CD2 3.86Å; A172-W209 HydrophobicContact CB-CE3 3.64Å; A172-W209 HydrophobicContact CB-CG 3.84Å |
| 173 | I | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -66.1 | -38.8 | 179.5 | -60 | -57 | 0 | 0 | 0 | 111.7 | T127 Y157 E169 I171 M176 L177 L408 P412 | T127-I173 HydrophobicContact CG2-CG2 3.94Å; Y157-I173 HydrophobicContact CD2-CB 4.34Å; Y157-I173 HydrophobicContact CD2-CG1 4.09Å; Y157-I173 HydrophobicContact CD2-CG2 4.24Å; Y157-I173 HydrophobicContact CE2-CB 3.71Å; Y157-I173 HydrophobicContact CE2-CG1 3.77Å; Y157-I173 HydrophobicContact CE2-CG2 3.91Å; E169-I173 PolarHBondContact O-N 3.29Å; I171-I173 VanDerWaalsContact C-N 3.31Å; I171-I173 PolarHBondContact O-N 3.49Å; I173-M176 HydrophobicContact CD1-CE 3.65Å; I173-M176 HydrophobicContact CG2-CE 4.46Å; I173-M176 PolarHBondContact O-N 2.94Å; I173-L177 HydrophobicContact CG2-CD1 4.39Å; I173-L177 WeakPolarHBondContact O-CG 3.44Å; I173-L177 PolarHBondContact O-N 3.26Å; I173-L408 HydrophobicContact CD1-CD2 3.75Å; I173-L408 HydrophobicContact CD1-CG 3.76Å; I173-L408 HydrophobicContact CG1-CD1 4.44Å; I173-L408 HydrophobicContact CG1-CD2 3.83Å; I173-L408 HydrophobicContact CG1-CG 3.9Å; I173-P412 HydrophobicContact CG2-CG 3.72Å |
| 174 | F | 95.6 | Very high | 93.6 | Very high | 30 Ų | 30 | 8.1 Ų | 8.1 | 13% | 0.132 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59.9 | -50 | 171.8 | 166.8 | -102.4 | 0 | 0 | 0 | 111.1 | F123 F126 T127 V130 I171 A172 M176 L177 L178 Y204 | F123-F174 HydrophobicContact CD1-CB 3.98Å; F123-F174 AromaticContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CE1 4.34Å; F123-F174 AromaticContact CD1-CG 3.87Å; F123-F174 HydrophobicContact CD1-CG 3.87Å; F123-F174 AromaticContact CE1-CD1 3.66Å; F123-F174 HydrophobicContact CE1-CD1 3.66Å; F123-F174 AromaticContact CE1-CE1 3.97Å; F123-F174 HydrophobicContact CE1-CE1 3.97Å; F123-F174 HydrophobicContact CE1-CG 4.32Å; F126-F174 HydrophobicContact CB-CD2 3.67Å; F126-F174 HydrophobicContact CB-CE2 3.57Å; F126-F174 HydrophobicContact CB-CZ 4.41Å; T127-F174 WeakPolarHBondContact OG1-CB 3.4Å; V130-F174 HydrophobicContact CG2-CD2 3.88Å; V130-F174 HydrophobicContact CG2-CE2 3.48Å; V130-F174 VanDerWaalsContact CG2-CE2 3.48Å; V130-F174 HydrophobicContact CG2-CZ 4.5Å; I171-F174 WeakPolarHBondContact O-CB 3.45Å; I171-F174 PolarHBondContact O-N 2.9Å; I171-F174 VanDerWaalsContact O-N 3.08Å; A172-F174 PolarHBondContact O-N 3.09Å; F174-M176 VanDerWaalsContact C-N 3.33Å; F174-M176 PolarHBondContact O-N 3.23Å; F174-L177 PolarHBondContact O-N 3.3Å; F174-L178 HydrophobicContact CE1-CD2 4.09Å; F174-L178 HydrophobicContact CZ-CD2 4.03Å; F174-L178 VanDerWaalsContact O-CB 3.24Å; F174-L178 WeakPolarHBondContact O-CB 3.29Å; F174-L178 PolarHBondContact O-N 3.3Å; F174-Y204 HydrophobicContact CD1-CE1 4.31Å; F174-Y204 HydrophobicContact CE1-CE1 4.18Å |
| 175 | C | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 179.9 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | I171 A172 L178 T179 Y204 M205 | I171-C175 WeakPolarHBondContact CG2-SG 2.86Å; I171-C175 PolarHBondContact O-N 3.28Å; I171-C175 PolarHBondContact O-SG 3.44Å; I171-C175 VanDerWaalsContact O-SG 3.36Å; A172-C175 PolarHBondContact O-N 2.94Å; C175-L178 PolarHBondContact O-N 3.4Å; C175-T179 WeakPolarHBondContact O-CB 3.4Å; C175-T179 PolarHBondContact O-N 2.87Å; C175-T179 PolarHBondContact O-OG1 2.7Å; C175-Y204 HydrophobicContact CB-CD1 4.35Å; C175-Y204 WeakPolarHBondContact SG-CD1 2.93Å; C175-Y204 WeakPolarHBondContact SG-CE1 3.4Å; C175-M205 HydrophobicContact CB-CB 3.9Å; C175-M205 HydrophobicContact CB-CG 4.41Å; C175-M205 HydrophobicContact CB-SD 3.7Å |
| 176 | M | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.4 | -53 | 177.7 | 177.4 | 177.1 | 68.7 | 0 | 0 | 111.4 | A172 I173 F174 L178 T179 Y180 M205 L215 Y392 V409 P412 | A172-M176 VanDerWaalsContact O-CB 3.32Å; A172-M176 WeakPolarHBondContact O-CB 3.38Å; A172-M176 PolarHBondContact O-N 3.06Å; I173-M176 HydrophobicContact CD1-CE 3.65Å; I173-M176 HydrophobicContact CG2-CE 4.46Å; I173-M176 PolarHBondContact O-N 2.94Å; F174-M176 VanDerWaalsContact C-N 3.33Å; F174-M176 PolarHBondContact O-N 3.23Å; M176-L178 VanDerWaalsContact C-N 3.3Å; M176-L178 PolarHBondContact O-N 2.88Å; M176-T179 PolarHBondContact O-N 3.01Å; M176-Y180 HydrophobicContact CG-CD2 4.02Å; M176-Y180 HydrophobicContact CG-CE2 3.48Å; M176-Y180 VanDerWaalsContact CG-CE2 3.48Å; M176-Y180 PolarHBondContact O-N 3.3Å; M176-Y180 HydrophobicContact SD-CE2 4.06Å; M176-M205 HydrophobicContact CB-CE 4.27Å; M176-M205 HydrophobicContact CB-SD 4.3Å; M176-L215 HydrophobicContact CB-CD1 4.39Å; M176-L215 HydrophobicContact CG-CD1 3.89Å; M176-L215 HydrophobicContact CG-CG 4.41Å; M176-L215 HydrophobicContact SD-CD1 4.32Å; M176-Y392 WeakPolarHBondContact CE-OH 3.41Å; M176-V409 HydrophobicContact CE-CG1 4.33Å; M176-V409 HydrophobicContact SD-CG1 4.05Å; M176-P412 HydrophobicContact CE-CG 4.28Å |
| 177 | L | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66 | -34.9 | 179.2 | -64.2 | -176.9 | 0 | 0 | 0 | 112.3 | T127 V130 T131 L134 I151 I173 F174 T179 Y180 Y181 P412 I416 | T127-L177 HydrophobicContact CG2-CD1 3.73Å; V130-L177 HydrophobicContact CG1-CB 3.76Å; T131-L177 VanDerWaalsContact OG1-CD1 3.24Å; T131-L177 WeakPolarHBondContact OG1-CD1 3.31Å; L134-L177 HydrophobicContact CD2-CD2 3.96Å; I151-L177 HydrophobicContact CD1-CD1 4.02Å; I173-L177 HydrophobicContact CG2-CD1 4.39Å; I173-L177 WeakPolarHBondContact O-CG 3.44Å; I173-L177 PolarHBondContact O-N 3.26Å; F174-L177 PolarHBondContact O-N 3.3Å; L177-T179 VanDerWaalsContact C-N 3.34Å; L177-Y180 PolarHBondContact O-N 3.16Å; L177-Y181 WeakPolarHBondContact O-CB 3.32Å; L177-Y181 PolarHBondContact O-N 3.26Å; L177-P412 HydrophobicContact CD1-CB 3.99Å; L177-P412 HydrophobicContact CD1-CG 4.46Å; L177-P412 HydrophobicContact CD2-CB 3.78Å; L177-P412 HydrophobicContact CG-CB 4.32Å; L177-I416 HydrophobicContact CD2-CD1 4.47Å |
| 178 | L | 96.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 13.3 Ų | 13.3 | 18% | 0.183 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.6 | -178.1 | 65.4 | 0 | 0 | 0 | 110.5 | V130 F174 C175 M176 Y181 M182 A201 | V130-L178 HydrophobicContact CG1-CB 4.3Å; V130-L178 HydrophobicContact CG2-CD1 4.3Å; F174-L178 HydrophobicContact CE1-CD2 4.09Å; F174-L178 HydrophobicContact CZ-CD2 4.03Å; F174-L178 VanDerWaalsContact O-CB 3.24Å; F174-L178 WeakPolarHBondContact O-CB 3.29Å; F174-L178 PolarHBondContact O-N 3.3Å; C175-L178 PolarHBondContact O-N 3.4Å; M176-L178 VanDerWaalsContact C-N 3.3Å; M176-L178 PolarHBondContact O-N 2.88Å; L178-Y181 PolarHBondContact O-N 3.4Å; L178-M182 HydrophobicContact CD1-CE 3.84Å; L178-M182 VanDerWaalsContact O-CG 3.28Å; L178-M182 WeakPolarHBondContact O-CG 3.37Å; L178-M182 PolarHBondContact O-N 3.24Å; L178-A201 HydrophobicContact CD2-CB 4.2Å; L178-A201 HydrophobicContact CG-CB 4.13Å |
| 179 | T | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 176.9 | -56 | 0 | 0 | 0 | 0 | 110.9 | C175 M176 L177 Y181 M182 W183 A201 Y202 L215 | C175-T179 WeakPolarHBondContact O-CB 3.4Å; C175-T179 PolarHBondContact O-N 2.87Å; C175-T179 PolarHBondContact O-OG1 2.7Å; M176-T179 PolarHBondContact O-N 3.01Å; L177-T179 VanDerWaalsContact C-N 3.34Å; T179-Y181 PolarHBondContact O-N 3.25Å; T179-M182 PolarHBondContact O-N 3.19Å; T179-W183 VanDerWaalsContact O-CB 3.27Å; T179-W183 WeakPolarHBondContact O-CB 3.45Å; T179-W183 PolarHBondContact O-N 3.17Å; T179-A201 PolarHBondContact OG1-O 3.26Å; T179-Y202 PolarHBondContact OG1-N 2.84Å; T179-L215 HydrophobicContact CG2-CD2 3.83Å |
| 180 | Y | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 176.9 | -65.5 | -22.7 | 0 | 0 | 0 | 113.5 | M176 L177 W183 I184 F214 L215 L218 F388 Y392 | M176-Y180 HydrophobicContact CG-CD2 4.02Å; M176-Y180 HydrophobicContact CG-CE2 3.48Å; M176-Y180 VanDerWaalsContact CG-CE2 3.48Å; M176-Y180 PolarHBondContact O-N 3.3Å; M176-Y180 HydrophobicContact SD-CE2 4.06Å; L177-Y180 PolarHBondContact O-N 3.16Å; Y180-W183 PolarHBondContact O-N 3.2Å; Y180-I184 WeakPolarHBondContact O-CG1 3.41Å; Y180-I184 PolarHBondContact O-N 3.35Å; Y180-F214 VanDerWaalsContact OH-CD1 3.26Å; Y180-F214 WeakPolarHBondContact OH-CD1 3.34Å; Y180-F214 WeakPolarHBondContact OH-CE1 3.3Å; Y180-L215 HydrophobicContact CE1-CB 4.4Å; Y180-L215 HydrophobicContact CE1-CD2 4.4Å; Y180-L215 HydrophobicContact CE1-CG 3.76Å; Y180-L218 HydrophobicContact CE1-CD2 4.16Å; Y180-L218 HydrophobicContact CE2-CD2 4.45Å; Y180-L218 WeakPolarHBondContact OH-CD2 3.45Å; Y180-F388 AromaticContact CD1-CE1 3.9Å; Y180-F388 HydrophobicContact CD1-CE1 3.9Å; Y180-F388 HydrophobicContact CD1-CE2 4.45Å; Y180-F388 AromaticContact CD1-CZ 3.38Å; Y180-F388 HydrophobicContact CD1-CZ 3.38Å; Y180-F388 HydrophobicContact CD2-CE1 4.23Å; Y180-F388 HydrophobicContact CD2-CZ 4.33Å; Y180-F388 HydrophobicContact CE1-CE1 4.42Å; Y180-F388 AromaticContact CE1-CZ 3.61Å; Y180-F388 HydrophobicContact CE1-CZ 3.61Å; Y180-F388 AromaticContact CG-CE1 3.79Å; Y180-F388 HydrophobicContact CG-CE1 3.79Å; Y180-F388 AromaticContact CG-CZ 3.77Å; Y180-F388 HydrophobicContact CG-CZ 3.77Å; Y180-Y392 HydrophobicContact CD2-CD1 4.34Å; Y180-Y392 HydrophobicContact CD2-CE1 4.01Å; Y180-Y392 HydrophobicContact CE2-CD1 4.19Å; Y180-Y392 HydrophobicContact CE2-CD2 4.21Å; Y180-Y392 AromaticContact CE2-CE1 3.84Å; Y180-Y392 HydrophobicContact CE2-CE1 3.84Å; Y180-Y392 AromaticContact CE2-CE2 3.92Å; Y180-Y392 HydrophobicContact CE2-CE2 3.92Å; Y180-Y392 HydrophobicContact CE2-CG 4.37Å; Y180-Y392 AromaticContact CE2-CZ 3.73Å |
| 181 | Y | 96.1 | Very high | 94.6 | Very high | 26 Ų | 26 | 18.2 Ų | 18.2 | 10% | 0.102 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 174.1 | 166 | -115.8 | 0 | 0 | 0 | 111.4 | H133 E137 L177 L178 T179 W183 I184 K185 | H133-Y181 HydrophobicContact CB-CD2 4.06Å; H133-Y181 HydrophobicContact CB-CE1 4.41Å; H133-Y181 HydrophobicContact CB-CE2 3.84Å; H133-Y181 HydrophobicContact CB-CG 4.46Å; E137-Y181 HydrophobicContact CG-CD2 4.21Å; E137-Y181 HydrophobicContact CG-CE2 3.9Å; L177-Y181 WeakPolarHBondContact O-CB 3.32Å; L177-Y181 PolarHBondContact O-N 3.26Å; L178-Y181 PolarHBondContact O-N 3.4Å; T179-Y181 PolarHBondContact O-N 3.25Å; Y181-W183 VanDerWaalsContact C-N 3.33Å; Y181-W183 PolarHBondContact O-N 3.16Å; Y181-I184 PolarHBondContact O-N 3.05Å; Y181-K185 HydrophobicContact CE2-CD 4.27Å; Y181-K185 WeakPolarHBondContact O-CB 3.49Å; Y181-K185 PolarHBondContact O-N 3.05Å; Y181-K185 PolarHBondContact OH-NZ 3.05Å |
| 182 | M | 96.1 | Very high | 94.7 | Very high | 30 Ų | 30 | 23.2 Ų | 23.2 | 15% | 0.148 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.7 | -36.9 | 178.4 | -64.1 | -60.2 | 177.2 | 0 | 0 | 111.8 | L178 T179 K185 A186 W194 K197 C198 | L178-M182 HydrophobicContact CD1-CE 3.84Å; L178-M182 VanDerWaalsContact O-CG 3.28Å; L178-M182 WeakPolarHBondContact O-CG 3.37Å; L178-M182 PolarHBondContact O-N 3.24Å; T179-M182 PolarHBondContact O-N 3.19Å; M182-K185 PolarHBondContact O-N 3.06Å; M182-A186 WeakPolarHBondContact O-CB 3.49Å; M182-A186 PolarHBondContact O-N 3.02Å; M182-W194 HydrophobicContact CE-CZ3 4.35Å; M182-W194 HydrophobicContact SD-CE3 3.68Å; M182-W194 HydrophobicContact SD-CZ3 3.58Å; M182-W194 VanDerWaalsContact SD-CZ3 3.58Å; M182-K197 HydrophobicContact SD-CB 4.36Å; M182-C198 HydrophobicContact CB-CB 3.78Å |
| 183 | W | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.4 | -53.4 | 174.9 | 172.8 | -115.2 | 0 | 0 | 0 | 112.1 | T179 Y180 Y181 K185 A186 V187 I219 H222 V223 A239 Y240 V243 F388 | T179-W183 VanDerWaalsContact O-CB 3.27Å; T179-W183 WeakPolarHBondContact O-CB 3.45Å; T179-W183 PolarHBondContact O-N 3.17Å; Y180-W183 PolarHBondContact O-N 3.2Å; Y181-W183 VanDerWaalsContact C-N 3.33Å; Y181-W183 PolarHBondContact O-N 3.16Å; W183-K185 PolarHBondContact O-N 3.3Å; W183-A186 WeakPolarHBondContact O-CB 3.3Å; W183-A186 PolarHBondContact O-N 2.83Å; W183-A186 VanDerWaalsContact O-N 3.09Å; W183-V187 HydrophobicContact CD2-CG2 4Å; W183-V187 HydrophobicContact CE3-CG2 4.36Å; W183-V187 HydrophobicContact CH2-CG2 3.96Å; W183-V187 HydrophobicContact CZ2-CG2 3.55Å; W183-V187 HydrophobicContact CZ3-CG2 4.35Å; W183-V187 WeakPolarHBondContact O-CG2 3.44Å; W183-V187 PolarHBondContact O-N 3.26Å; W183-I219 HydrophobicContact CD2-CG1 4.43Å; W183-I219 HydrophobicContact CD2-CG2 4.04Å; W183-I219 HydrophobicContact CE3-CG2 4.11Å; W183-I219 HydrophobicContact CG-CG1 4.43Å; W183-I219 HydrophobicContact CH2-CG2 3.77Å; W183-I219 HydrophobicContact CZ2-CG2 3.68Å; W183-I219 HydrophobicContact CZ3-CG2 3.98Å; W183-H222 AromaticContact CE2-ND1 3.76Å; W183-H222 AromaticContact CZ2-ND1 3.69Å; W183-H222 AromaticContact NE1-CE1 3.67Å; W183-H222 AromaticContact NE1-ND1 3.23Å; W183-H222 PolarHBondContact NE1-ND1 3.41Å; W183-V223 HydrophobicContact CH2-CG2 3.98Å; W183-V223 HydrophobicContact CZ2-CG2 3.83Å; W183-A239 HydrophobicContact CZ3-CB 4.23Å; W183-Y240 AromaticContact CH2-CD2 3.97Å; W183-Y240 HydrophobicContact CH2-CD2 3.97Å; W183-Y240 HydrophobicContact CH2-CG 4.47Å; W183-V243 HydrophobicContact CE3-CG2 4.08Å; W183-V243 HydrophobicContact CZ3-CB 4.29Å; W183-V243 HydrophobicContact CZ3-CG2 4.03Å; W183-F388 AromaticContact CD1-CD2 3.91Å; W183-F388 AromaticContact CD1-CE2 3.79Å; W183-F388 AromaticContact NE1-CD2 3.79Å; W183-F388 AromaticContact NE1-CE2 3.93Å |
| 184 | I | 95 | Very high | 94.9 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -39.1 | 179.3 | -69 | -179.4 | 0 | 0 | 0 | 110.6 | L134 E137 L138 Y180 Y181 V187 K188 A385 F388 I389 | L134-I184 HydrophobicContact CD1-CD1 3.59Å; E137-I184 HydrophobicContact CB-CG2 4.3Å; L138-I184 HydrophobicContact CD2-CD1 3.92Å; Y180-I184 WeakPolarHBondContact O-CG1 3.41Å; Y180-I184 PolarHBondContact O-N 3.35Å; Y181-I184 PolarHBondContact O-N 3.05Å; I184-V187 PolarHBondContact O-N 2.95Å; I184-K188 HydrophobicContact CG2-CD 4.38Å; I184-K188 WeakPolarHBondContact O-CG 3.18Å; I184-K188 PolarHBondContact O-N 2.64Å; I184-A385 HydrophobicContact CG2-CB 3.67Å; I184-F388 HydrophobicContact CD1-CD1 3.78Å; I184-F388 HydrophobicContact CD1-CE1 4.4Å; I184-F388 HydrophobicContact CG1-CD1 4.05Å; I184-F388 HydrophobicContact CG1-CG 4.49Å; I184-I389 HydrophobicContact CD1-CD1 4.43Å; I184-I389 HydrophobicContact CD1-CG1 4.4Å |
| 185 | K | 94.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 28 Ų | 28 | 17% | 0.174 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 176.9 | -162.5 | 165.9 | -170.5 | 177.2 | 0 | 112.5 | Y181 M182 W183 T189 W194 | Y181-K185 HydrophobicContact CE2-CD 4.27Å; Y181-K185 WeakPolarHBondContact O-CB 3.49Å; Y181-K185 PolarHBondContact O-N 3.05Å; Y181-K185 PolarHBondContact OH-NZ 3.05Å; M182-K185 PolarHBondContact O-N 3.06Å; W183-K185 PolarHBondContact O-N 3.3Å; K185-T189 WeakPolarHBondContact O-CB 3.24Å; K185-T189 WeakPolarHBondContact O-CG2 3.27Å; K185-T189 PolarHBondContact O-N 3.29Å; K185-T189 PolarHBondContact O-OG1 3.28Å; K185-W194 HydrophobicContact CD-CD2 3.73Å; K185-W194 HydrophobicContact CD-CE3 3.66Å; K185-W194 HydrophobicContact CD-CH2 3.79Å; K185-W194 HydrophobicContact CD-CZ2 3.82Å; K185-W194 HydrophobicContact CD-CZ3 3.69Å; K185-W194 VanDerWaalsContact CE-CH2 3.49Å; K185-W194 HydrophobicContact CG-CD2 3.88Å; K185-W194 HydrophobicContact CG-CE3 4.18Å; K185-W194 HydrophobicContact CG-CG 4.15Å; K185-W194 VanDerWaalsContact NZ-CZ2 3.27Å |
| 186 | A | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M182 W183 K188 T189 G190 W194 A195 A239 | M182-A186 WeakPolarHBondContact O-CB 3.49Å; M182-A186 PolarHBondContact O-N 3.02Å; W183-A186 WeakPolarHBondContact O-CB 3.3Å; W183-A186 PolarHBondContact O-N 2.83Å; W183-A186 VanDerWaalsContact O-N 3.09Å; A186-K188 PolarHBondContact O-N 3.09Å; A186-T189 PolarHBondContact O-N 3.45Å; A186-G190 WeakPolarHBondContact O-CA 3.47Å; A186-G190 PolarHBondContact O-N 3.36Å; A186-W194 HydrophobicContact CB-CB 3.91Å; A186-A195 HydrophobicContact CB-CB 4.26Å; A186-A239 HydrophobicContact CB-CB 4.13Å |
| 187 | V | 94.4 | Very high | 95 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 177.8 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | W183 I184 I236 D384 | W183-V187 HydrophobicContact CD2-CG2 4Å; W183-V187 HydrophobicContact CE3-CG2 4.36Å; W183-V187 HydrophobicContact CH2-CG2 3.96Å; W183-V187 HydrophobicContact CZ2-CG2 3.55Å; W183-V187 HydrophobicContact CZ3-CG2 4.35Å; W183-V187 WeakPolarHBondContact O-CG2 3.44Å; W183-V187 PolarHBondContact O-N 3.26Å; I184-V187 PolarHBondContact O-N 2.95Å; V187-I236 HydrophobicContact CG1-CG1 4.02Å; V187-D384 HydrophobicContact CG1-CB 4.3Å |
| 188 | K | 92.8 | Very high | 95 | Very high | 81 Ų | 81 | 33.8 Ų | 33.8 | 35% | 0.352 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 179.3 | -76.1 | -177.9 | 172.2 | -167.3 | 0 | 113.4 | E137 I184 A186 | E137-K188 WeakPolarHBondContact O-CE 3.32Å; E137-K188 PolarHBondContact O-NZ 2.99Å; E137-K188 IonicContact OE2-NZ 2.82Å; E137-K188 PolarHBondContact OE2-NZ 2.91Å; I184-K188 HydrophobicContact CG2-CD 4.38Å; I184-K188 WeakPolarHBondContact O-CG 3.18Å; I184-K188 PolarHBondContact O-N 2.64Å; A186-K188 PolarHBondContact O-N 3.09Å |
| 189 | T | 92 | Very high | 95 | Very high | 69 Ų | 69 | 32.1 Ų | 32.1 | 42% | 0.423 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -84.5 | -28.2 | -174 | 58 | 0 | 0 | 0 | 0 | 113.1 | K185 A186 S191 | K185-T189 WeakPolarHBondContact O-CB 3.24Å; K185-T189 WeakPolarHBondContact O-CG2 3.27Å; K185-T189 PolarHBondContact O-N 3.29Å; K185-T189 PolarHBondContact O-OG1 3.28Å; A186-T189 PolarHBondContact O-N 3.45Å; T189-S191 PolarHBondContact O-N 2.96Å; T189-S191 PolarHBondContact OG1-N 3.49Å |
| 190 | G | 91 | Very high | 95 | Very high | 19 Ų | 19 | 37 Ų | 37 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | trans | 66.4 | 18.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A186 | A186-G190 WeakPolarHBondContact O-CA 3.47Å; A186-G190 PolarHBondContact O-N 3.36Å | ||
| 191 | S | 92.8 | Very high | 95 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 31% | 0.308 | 20% | 0.202 | S | C | . | . | trans | -88.5 | 131 | -176.6 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | T189 C193 W194 A195 | T189-S191 PolarHBondContact O-N 2.96Å; T189-S191 PolarHBondContact OG1-N 3.49Å; S191-C193 PolarHBondContact O-N 3.35Å; S191-C193 PolarHBondContact OG-N 3.29Å; S191-W194 PolarHBondContact O-N 2.99Å; S191-A195 PolarHBondContact O-N 3.31Å; S191-A195 VanDerWaalsContact O-N 3.16Å | ||
| 192 | I | 94.6 | Very high | 95 | Very high | 106 Ų | 106 | 36.5 Ų | 36.5 | 54% | 0.544 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.5 | -34.8 | 172 | -60.5 | 173 | 0 | 0 | 0 | 111 | W194 A195 A196 V238 T242 | I192-W194 PolarHBondContact O-N 2.86Å; I192-A195 PolarHBondContact O-N 3.01Å; I192-A196 WeakPolarHBondContact O-CB 3.43Å; I192-A196 PolarHBondContact O-N 3.17Å; I192-V238 HydrophobicContact CD1-CG1 4.37Å; I192-V238 HydrophobicContact CG1-CG1 3.57Å; I192-T242 HydrophobicContact CG2-CG2 4.06Å |
| 193 | C | 95.9 | Very high | 95 | Very high | 69 Ų | 69 | 38 Ų | 38 | 47% | 0.466 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 179.7 | -178.3 | 0 | 0 | 0 | 0 | 112 | S191 A195 A196 K197 | S191-C193 PolarHBondContact O-N 3.35Å; S191-C193 PolarHBondContact OG-N 3.29Å; C193-A195 VanDerWaalsContact C-N 3.35Å; C193-A196 PolarHBondContact O-N 3.23Å; C193-K197 WeakPolarHBondContact O-CG 3.36Å; C193-K197 PolarHBondContact O-N 3.46Å |
| 194 | W | 96 | Very high | 95 | Very high | 60 Ų | 60 | 40.6 Ų | 40.6 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.7 | -36.3 | 176.2 | -72 | 116.4 | 0 | 0 | 0 | 111.5 | M182 K185 A186 S191 I192 K197 C198 | M182-W194 HydrophobicContact CE-CZ3 4.35Å; M182-W194 HydrophobicContact SD-CE3 3.68Å; M182-W194 HydrophobicContact SD-CZ3 3.58Å; M182-W194 VanDerWaalsContact SD-CZ3 3.58Å; K185-W194 HydrophobicContact CD-CD2 3.73Å; K185-W194 HydrophobicContact CD-CE3 3.66Å; K185-W194 HydrophobicContact CD-CH2 3.79Å; K185-W194 HydrophobicContact CD-CZ2 3.82Å; K185-W194 HydrophobicContact CD-CZ3 3.69Å; K185-W194 VanDerWaalsContact CE-CH2 3.49Å; K185-W194 HydrophobicContact CG-CD2 3.88Å; K185-W194 HydrophobicContact CG-CE3 4.18Å; K185-W194 HydrophobicContact CG-CG 4.15Å; K185-W194 VanDerWaalsContact NZ-CZ2 3.27Å; A186-W194 HydrophobicContact CB-CB 3.91Å; S191-W194 PolarHBondContact O-N 2.99Å; I192-W194 PolarHBondContact O-N 2.86Å; W194-K197 HydrophobicContact CE3-CD 4.04Å; W194-K197 HydrophobicContact CZ3-CD 4.04Å; W194-K197 PolarHBondContact O-N 2.85Å; W194-C198 WeakPolarHBondContact O-CB 3.32Å; W194-C198 PolarHBondContact O-N 3.15Å |
| 195 | A | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | A186 S191 I192 C193 C198 A199 T242 V243 | A186-A195 HydrophobicContact CB-CB 4.26Å; S191-A195 PolarHBondContact O-N 3.31Å; S191-A195 VanDerWaalsContact O-N 3.16Å; I192-A195 PolarHBondContact O-N 3.01Å; C193-A195 VanDerWaalsContact C-N 3.35Å; A195-C198 VanDerWaalsContact O-CB 3.31Å; A195-C198 WeakPolarHBondContact O-CB 3.47Å; A195-C198 PolarHBondContact O-N 3.21Å; A195-A199 PolarHBondContact O-N 2.93Å; A195-T242 HydrophobicContact CB-CG2 3.72Å; A195-V243 HydrophobicContact CB-CG2 3.99Å; A195-V243 WeakPolarHBondContact O-CG2 3.29Å |
| 196 | A | 96.5 | Very high | 95 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 25% | 0.248 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | I192 C193 C198 A199 L200 L246 | I192-A196 WeakPolarHBondContact O-CB 3.43Å; I192-A196 PolarHBondContact O-N 3.17Å; C193-A196 PolarHBondContact O-N 3.23Å; A196-C198 VanDerWaalsContact C-N 3.29Å; A196-C198 PolarHBondContact O-N 3.26Å; A196-A199 WeakPolarHBondContact O-CB 3.48Å; A196-A199 PolarHBondContact O-N 3.44Å; A196-L200 WeakPolarHBondContact O-CG 3.14Å; A196-L200 PolarHBondContact O-N 3.32Å; A196-L246 HydrophobicContact CB-CD1 4.06Å |
| 197 | K | 96.1 | Very high | 95 | Very high | 92 Ų | 92 | 39 Ų | 39 | 40% | 0.4 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.2 | -37 | 172.5 | -72.2 | 178.2 | -177.4 | -179.7 | 0 | 112.3 | M182 C193 W194 L200 A201 | M182-K197 HydrophobicContact SD-CB 4.36Å; C193-K197 WeakPolarHBondContact O-CG 3.36Å; C193-K197 PolarHBondContact O-N 3.46Å; W194-K197 HydrophobicContact CE3-CD 4.04Å; W194-K197 HydrophobicContact CZ3-CD 4.04Å; W194-K197 PolarHBondContact O-N 2.85Å; K197-L200 PolarHBondContact O-N 3.38Å; K197-A201 WeakPolarHBondContact O-CB 3.39Å; K197-A201 PolarHBondContact O-N 3.09Å |
| 198 | C | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | M182 W194 A195 A196 L200 A201 Y202 V243 | M182-C198 HydrophobicContact CB-CB 3.78Å; W194-C198 WeakPolarHBondContact O-CB 3.32Å; W194-C198 PolarHBondContact O-N 3.15Å; A195-C198 VanDerWaalsContact O-CB 3.31Å; A195-C198 WeakPolarHBondContact O-CB 3.47Å; A195-C198 PolarHBondContact O-N 3.21Å; A196-C198 VanDerWaalsContact C-N 3.29Å; A196-C198 PolarHBondContact O-N 3.26Å; C198-L200 VanDerWaalsContact C-N 3.35Å; C198-L200 PolarHBondContact O-N 3.23Å; C198-A201 PolarHBondContact O-N 3.24Å; C198-Y202 WeakPolarHBondContact O-CB 3.47Å; C198-Y202 PolarHBondContact O-N 2.72Å; C198-V243 HydrophobicContact CB-CG2 3.93Å |
| 199 | A | 96.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A195 A196 Y202 F203 L246 | A195-A199 PolarHBondContact O-N 2.93Å; A196-A199 WeakPolarHBondContact O-CB 3.48Å; A196-A199 PolarHBondContact O-N 3.44Å; A199-Y202 PolarHBondContact O-N 2.94Å; A199-F203 PolarHBondContact O-N 2.95Å; A199-L246 HydrophobicContact CB-CB 3.65Å; A199-L246 HydrophobicContact CB-CD1 4.49Å |
| 200 | L | 96.3 | Very high | 94.7 | Very high | 103 Ų | 103 | 33.9 Ų | 33.9 | 54% | 0.539 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.2 | -41.4 | 173.6 | -69.2 | 172.7 | 0 | 0 | 0 | 112.5 | A196 K197 C198 Y202 F203 Y204 L250 | A196-L200 WeakPolarHBondContact O-CG 3.14Å; A196-L200 PolarHBondContact O-N 3.32Å; K197-L200 PolarHBondContact O-N 3.38Å; C198-L200 VanDerWaalsContact C-N 3.35Å; C198-L200 PolarHBondContact O-N 3.23Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; L200-F203 WeakPolarHBondContact O-CB 3.45Å; L200-F203 PolarHBondContact O-N 3.37Å; L200-Y204 PolarHBondContact O-N 3.17Å; L200-L250 HydrophobicContact CD2-CD1 4.14Å |
| 201 | A | 95.7 | Very high | 94.5 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L178 T179 K197 C198 Y204 M205 | L178-A201 HydrophobicContact CD2-CB 4.2Å; L178-A201 HydrophobicContact CG-CB 4.13Å; T179-A201 PolarHBondContact OG1-O 3.26Å; K197-A201 WeakPolarHBondContact O-CB 3.39Å; K197-A201 PolarHBondContact O-N 3.09Å; C198-A201 PolarHBondContact O-N 3.24Å; A201-Y204 PolarHBondContact O-N 2.9Å; A201-M205 PolarHBondContact O-N 3.39Å |
| 202 | Y | 96.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 173 | 176 | -105.7 | 0 | 0 | 0 | 111.9 | T179 C198 A199 L200 Y204 M205 V206 Y212 L215 I216 | T179-Y202 PolarHBondContact OG1-N 2.84Å; C198-Y202 WeakPolarHBondContact O-CB 3.47Å; C198-Y202 PolarHBondContact O-N 2.72Å; A199-Y202 PolarHBondContact O-N 2.94Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; Y202-Y204 VanDerWaalsContact C-N 3.29Å; Y202-Y204 PolarHBondContact O-N 3Å; Y202-M205 WeakPolarHBondContact O-CA 3.29Å; Y202-M205 WeakPolarHBondContact O-CB 3.28Å; Y202-M205 PolarHBondContact O-N 3.35Å; Y202-M205 VanDerWaalsContact O-N 3.09Å; Y202-V206 HydrophobicContact CD1-CG2 4.04Å; Y202-V206 HydrophobicContact CD2-CG2 4.31Å; Y202-V206 HydrophobicContact CE1-CG2 3.64Å; Y202-V206 HydrophobicContact CE2-CG2 3.93Å; Y202-V206 HydrophobicContact CG-CG2 4.36Å; Y202-V206 VanDerWaalsContact O-CG2 3.24Å; Y202-V206 WeakPolarHBondContact O-CG2 3.34Å; Y202-V206 PolarHBondContact O-N 3Å; Y202-Y212 HydrophobicContact CE2-CD2 4.4Å; Y202-Y212 WeakPolarHBondContact OH-CD2 3.25Å; Y202-L215 HydrophobicContact CD2-CB 4.38Å; Y202-L215 HydrophobicContact CD2-CD2 4.3Å; Y202-L215 HydrophobicContact CE2-CB 4.3Å; Y202-I216 HydrophobicContact CE2-CB 4.19Å; Y202-I216 WeakPolarHBondContact OH-CB 3.13Å |
| 203 | F | 96 | Very high | 94.4 | Very high | 63 Ų | 63 | 26.8 Ų | 26.8 | 28% | 0.276 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -57.8 | -42 | 173.2 | 171.6 | -112.2 | 0 | 0 | 0 | 112.2 | A199 L200 M205 V206 S207 L250 Q253 I254 | A199-F203 PolarHBondContact O-N 2.95Å; L200-F203 WeakPolarHBondContact O-CB 3.45Å; L200-F203 PolarHBondContact O-N 3.37Å; F203-M205 VanDerWaalsContact C-N 3.34Å; F203-V206 PolarHBondContact O-N 2.61Å; F203-S207 PolarHBondContact O-N 3.34Å; F203-L250 HydrophobicContact CB-CB 3.92Å; F203-L250 HydrophobicContact CB-CD1 4.1Å; F203-L250 HydrophobicContact CD2-CB 3.76Å; F203-L250 VanDerWaalsContact CD2-O 3.29Å; F203-L250 WeakPolarHBondContact CD2-O 3.46Å; F203-L250 WeakPolarHBondContact CE2-O 3.07Å; F203-L250 HydrophobicContact CG-CB 4.02Å; F203-Q253 HydrophobicContact CE2-CB 4.44Å; F203-I254 HydrophobicContact CE2-CD1 3.68Å; F203-I254 HydrophobicContact CE2-CG1 4.06Å; F203-I254 HydrophobicContact CZ-CD1 4.08Å |
| 204 | Y | 95.7 | Very high | 94.2 | Very high | 53 Ų | 53 | 25.2 Ų | 25.2 | 21% | 0.208 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.4 | -37 | 174.9 | -173.7 | -132.8 | 0 | 0 | 0 | 112.3 | T95 I171 F174 C175 L200 A201 Y202 S207 S208 | T95-Y204 WeakPolarHBondContact OG1-CE2 3.49Å; T95-Y204 PolarHBondContact OG1-OH 3.41Å; I171-Y204 HydrophobicContact CG2-CE1 3.99Å; I171-Y204 WeakPolarHBondContact CG2-OH 3.43Å; F174-Y204 HydrophobicContact CD1-CE1 4.31Å; F174-Y204 HydrophobicContact CE1-CE1 4.18Å; C175-Y204 HydrophobicContact CB-CD1 4.35Å; C175-Y204 WeakPolarHBondContact SG-CD1 2.93Å; C175-Y204 WeakPolarHBondContact SG-CE1 3.4Å; L200-Y204 PolarHBondContact O-N 3.17Å; A201-Y204 PolarHBondContact O-N 2.9Å; Y202-Y204 VanDerWaalsContact C-N 3.29Å; Y202-Y204 PolarHBondContact O-N 3Å; Y204-S207 PolarHBondContact O-N 3.44Å; Y204-S207 PolarHBondContact O-OG 3.24Å; Y204-S208 PolarHBondContact O-N 3.06Å; Y204-S208 VanDerWaalsContact O-N 3.13Å; Y204-S208 PolarHBondContact O-OG 3.22Å |
| 205 | M | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 171.6 | 179.4 | 66.1 | 178.2 | 0 | 0 | 112.3 | A172 C175 M176 A201 Y202 F203 S207 S208 W209 L215 | A172-M205 HydrophobicContact CB-CE 4.46Å; A172-M205 HydrophobicContact CB-SD 4.34Å; C175-M205 HydrophobicContact CB-CB 3.9Å; C175-M205 HydrophobicContact CB-CG 4.41Å; C175-M205 HydrophobicContact CB-SD 3.7Å; M176-M205 HydrophobicContact CB-CE 4.27Å; M176-M205 HydrophobicContact CB-SD 4.3Å; A201-M205 PolarHBondContact O-N 3.39Å; Y202-M205 WeakPolarHBondContact O-CA 3.29Å; Y202-M205 WeakPolarHBondContact O-CB 3.28Å; Y202-M205 PolarHBondContact O-N 3.35Å; Y202-M205 VanDerWaalsContact O-N 3.09Å; F203-M205 VanDerWaalsContact C-N 3.34Å; M205-S207 VanDerWaalsContact C-N 3.25Å; M205-S207 PolarHBondContact O-N 3.34Å; M205-S208 PolarHBondContact O-N 3.39Å; M205-S208 VanDerWaalsContact O-N 3.11Å; M205-W209 HydrophobicContact CE-CD2 4.47Å; M205-W209 HydrophobicContact CE-CE3 3.46Å; M205-W209 VanDerWaalsContact CE-CE3 3.46Å; M205-W209 HydrophobicContact CE-CZ3 4.08Å; M205-W209 PolarHBondContact O-N 2.72Å; M205-L215 HydrophobicContact CB-CD2 4.37Å; M205-L215 HydrophobicContact CE-CD1 3.77Å; M205-L215 HydrophobicContact CG-CD1 4.42Å; M205-L215 HydrophobicContact CG-CD2 3.87Å |
| 206 | V | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -36.7 | 179 | 176.1 | 0 | 0 | 0 | 0 | 111 | Y89 Y202 F203 Y212 I254 V257 | Y89-V206 WeakPolarHBondContact CD1-O 3.47Å; Y89-V206 WeakPolarHBondContact CE1-O 3.2Å; Y202-V206 HydrophobicContact CD1-CG2 4.04Å; Y202-V206 HydrophobicContact CD2-CG2 4.31Å; Y202-V206 HydrophobicContact CE1-CG2 3.64Å; Y202-V206 HydrophobicContact CE2-CG2 3.93Å; Y202-V206 HydrophobicContact CG-CG2 4.36Å; Y202-V206 VanDerWaalsContact O-CG2 3.24Å; Y202-V206 WeakPolarHBondContact O-CG2 3.34Å; Y202-V206 PolarHBondContact O-N 3Å; F203-V206 PolarHBondContact O-N 2.61Å; V206-Y212 HydrophobicContact CB-CG 4.29Å; V206-Y212 HydrophobicContact CG1-CD1 4.39Å; V206-Y212 HydrophobicContact CG1-CD2 4.49Å; V206-Y212 HydrophobicContact CG1-CG 4.37Å; V206-Y212 HydrophobicContact CG2-CD1 4.49Å; V206-Y212 HydrophobicContact CG2-CD2 3.73Å; V206-Y212 HydrophobicContact CG2-CE2 4.45Å; V206-Y212 HydrophobicContact CG2-CG 3.73Å; V206-I254 HydrophobicContact CG1-CG1 4.13Å; V206-V257 HydrophobicContact CG1-CG2 3.82Å |
| 207 | S | 93.8 | Very high | 93.7 | Very high | 10 Ų | 10 | 24 Ų | 24 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -74.9 | -24.2 | 177.3 | 74 | 0 | 0 | 0 | 0 | 113.2 | Y89 G91 F203 Y204 M205 | Y89-S207 CarbonylContact C-O 3.12Å; Y89-S207 VanDerWaalsContact C-O 3.23Å; Y89-S207 WeakPolarHBondContact CB-O 3.34Å; G91-S207 VanDerWaalsContact CA-O 3.3Å; G91-S207 WeakPolarHBondContact CA-O 3.41Å; G91-S207 PolarHBondContact N-O 3.23Å; F203-S207 PolarHBondContact O-N 3.34Å; Y204-S207 PolarHBondContact O-N 3.44Å; Y204-S207 PolarHBondContact O-OG 3.24Å; M205-S207 VanDerWaalsContact C-N 3.25Å; M205-S207 PolarHBondContact O-N 3.34Å |
| 208 | S | 92.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -90.1 | -43.3 | -179.3 | -60.8 | 0 | 0 | 0 | 0 | 114.6 | N168 I171 Y204 M205 | N168-S208 WeakPolarHBondContact CB-O 3.35Å; N168-S208 PolarHBondContact OD1-O 2.77Å; I171-S208 WeakPolarHBondContact CG2-OG 3.27Å; Y204-S208 PolarHBondContact O-N 3.06Å; Y204-S208 VanDerWaalsContact O-N 3.13Å; Y204-S208 PolarHBondContact O-OG 3.22Å; M205-S208 PolarHBondContact O-N 3.39Å; M205-S208 VanDerWaalsContact O-N 3.11Å |
| 209 | W | 92.3 | Very high | 93.5 | Very high | 27 Ų | 27 | 20 Ų | 20 | 10% | 0.102 | 11% | 0.105 | C | C | . | . | trans | -151.3 | 142 | -170.2 | -174.7 | 54.6 | 0 | 0 | 0 | 113.8 | N168 E169 A172 M205 G211 Y212 V409 | N168-W209 HydrophobicContact CB-CB 4.45Å; E169-W209 PolarHBondContact OE1-NE1 3.18Å; A172-W209 HydrophobicContact CB-CB 3.54Å; A172-W209 HydrophobicContact CB-CD2 3.86Å; A172-W209 HydrophobicContact CB-CE3 3.64Å; A172-W209 HydrophobicContact CB-CG 3.84Å; M205-W209 HydrophobicContact CE-CD2 4.47Å; M205-W209 HydrophobicContact CE-CE3 3.46Å; M205-W209 VanDerWaalsContact CE-CE3 3.46Å; M205-W209 HydrophobicContact CE-CZ3 4.08Å; M205-W209 PolarHBondContact O-N 2.72Å; W209-G211 VanDerWaalsContact CE3-CA 3.46Å; W209-G211 PolarHBondContact O-N 3.36Å; W209-Y212 WeakPolarHBondContact O-CD1 3.46Å; W209-Y212 PolarHBondContact O-N 3.42Å; W209-V409 HydrophobicContact CH2-CG2 3.82Å; W209-V409 HydrophobicContact CZ3-CG2 4.15Å | ||
| 210 | G | 88.1 | Confident | 93.3 | Very high | 20 Ų | 20 | 20 Ų | 20 | 21% | 0.206 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y89 Y212 V213 | Y89-G210 WeakPolarHBondContact OH-CA 3.44Å; G210-Y212 WeakPolarHBondContact O-CD1 3.39Å; G210-Y212 PolarHBondContact O-N 3.03Å; G210-Y212 VanDerWaalsContact O-N 3.08Å; G210-V213 PolarHBondContact O-N 3.44Å |
| 211 | G | 86.9 | Confident | 93.2 | Very high | 12 Ų | 12 | 18.3 Ų | 18.3 | 12% | 0.124 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | 2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | W209 V213 F214 | W209-G211 VanDerWaalsContact CE3-CA 3.46Å; W209-G211 PolarHBondContact O-N 3.36Å; G211-V213 PolarHBondContact O-N 2.65Å; G211-F214 VanDerWaalsContact O-CB 3.28Å; G211-F214 WeakPolarHBondContact O-CB 3.4Å; G211-F214 PolarHBondContact O-N 2.88Å |
| 212 | Y | 93.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.3 | -27.3 | 169.4 | 78.5 | -90.1 | 0 | 0 | 0 | 112.7 | Y89 Y202 V206 W209 G210 F214 L215 I216 V257 H267 | Y89-Y212 HydrophobicContact CE1-CE1 4.37Å; Y202-Y212 HydrophobicContact CE2-CD2 4.4Å; Y202-Y212 WeakPolarHBondContact OH-CD2 3.25Å; V206-Y212 HydrophobicContact CB-CG 4.29Å; V206-Y212 HydrophobicContact CG1-CD1 4.39Å; V206-Y212 HydrophobicContact CG1-CD2 4.49Å; V206-Y212 HydrophobicContact CG1-CG 4.37Å; V206-Y212 HydrophobicContact CG2-CD1 4.49Å; V206-Y212 HydrophobicContact CG2-CD2 3.73Å; V206-Y212 HydrophobicContact CG2-CE2 4.45Å; V206-Y212 HydrophobicContact CG2-CG 3.73Å; W209-Y212 WeakPolarHBondContact O-CD1 3.46Å; W209-Y212 PolarHBondContact O-N 3.42Å; G210-Y212 WeakPolarHBondContact O-CD1 3.39Å; G210-Y212 PolarHBondContact O-N 3.03Å; G210-Y212 VanDerWaalsContact O-N 3.08Å; Y212-F214 PolarHBondContact O-N 3.15Å; Y212-L215 PolarHBondContact O-N 2.79Å; Y212-I216 PolarHBondContact O-N 2.96Å; Y212-V257 HydrophobicContact CE1-CG2 4.15Å; Y212-H267 AromaticContact CE2-CE1 3.97Å; Y212-H267 AromaticContact CE2-NE2 3.26Å; Y212-H267 VanDerWaalsContact CE2-NE2 3.26Å; Y212-H267 WeakPolarHBondContact CE2-NE2 3.38Å; Y212-H267 AromaticContact CZ-NE2 3.9Å |
| 213 | V | 91.8 | Very high | 93 | Very high | 6 Ų | 6 | 17.8 Ų | 17.8 | 4% | 0.036 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.9 | -31.8 | 173.6 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | G210 G211 I216 N217 E266 F330 | G210-V213 PolarHBondContact O-N 3.44Å; G211-V213 PolarHBondContact O-N 2.65Å; V213-I216 WeakPolarHBondContact O-CG2 3.49Å; V213-N217 WeakPolarHBondContact O-CB 3.24Å; V213-N217 PolarHBondContact O-N 3.43Å; V213-N217 PolarHBondContact O-ND2 3.28Å; V213-E266 HydrophobicContact CG1-CB 4.05Å; V213-F330 HydrophobicContact CB-CE1 4.16Å; V213-F330 HydrophobicContact CB-CZ 3.83Å; V213-F330 HydrophobicContact CG1-CE1 3.83Å; V213-F330 HydrophobicContact CG1-CE2 4.45Å; V213-F330 HydrophobicContact CG1-CZ 3.77Å; V213-F330 HydrophobicContact CG2-CE2 4.45Å; V213-F330 HydrophobicContact CG2-CZ 3.92Å |
| 214 | F | 91.7 | Very high | 92.7 | Very high | 37 Ų | 37 | 17.4 Ų | 17.4 | 16% | 0.162 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.9 | -42.6 | 174.6 | -178.6 | -106.4 | 0 | 0 | 0 | 111.7 | Y180 G211 Y212 N217 L218 Y392 S396 F399 V409 | Y180-F214 VanDerWaalsContact OH-CD1 3.26Å; Y180-F214 WeakPolarHBondContact OH-CD1 3.34Å; Y180-F214 WeakPolarHBondContact OH-CE1 3.3Å; G211-F214 VanDerWaalsContact O-CB 3.28Å; G211-F214 WeakPolarHBondContact O-CB 3.4Å; G211-F214 PolarHBondContact O-N 2.88Å; Y212-F214 PolarHBondContact O-N 3.15Å; F214-N217 PolarHBondContact O-N 3.49Å; F214-L218 HydrophobicContact CE1-CD2 3.98Å; F214-L218 HydrophobicContact CZ-CD2 4.16Å; F214-L218 VanDerWaalsContact O-CB 3.27Å; F214-L218 WeakPolarHBondContact O-CB 3.33Å; F214-L218 PolarHBondContact O-N 3.1Å; F214-Y392 AromaticContact CE1-CD2 3.76Å; F214-Y392 HydrophobicContact CE1-CD2 3.76Å; F214-Y392 AromaticContact CE1-CE2 3.61Å; F214-Y392 HydrophobicContact CE1-CE2 3.61Å; F214-Y392 AromaticContact CZ-CD2 3.88Å; F214-Y392 HydrophobicContact CZ-CD2 3.88Å; F214-Y392 HydrophobicContact CZ-CE2 4.02Å; F214-S396 WeakPolarHBondContact CZ-OG 3.37Å; F214-F399 HydrophobicContact CD2-CD2 4.27Å; F214-F399 HydrophobicContact CD2-CE2 4.25Å; F214-F399 AromaticContact CE2-CD2 3.87Å; F214-F399 HydrophobicContact CE2-CD2 3.87Å; F214-F399 HydrophobicContact CE2-CE2 4.02Å; F214-V409 HydrophobicContact CD1-CG1 4.05Å; F214-V409 HydrophobicContact CE1-CG1 3.74Å; F214-V409 HydrophobicContact CZ-CG1 4.14Å |
| 215 | L | 93 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.1 | -45.6 | -179.9 | -76.3 | 67 | 0 | 0 | 0 | 111.5 | M176 T179 Y180 Y202 M205 Y212 N217 L218 I219 | M176-L215 HydrophobicContact CB-CD1 4.39Å; M176-L215 HydrophobicContact CG-CD1 3.89Å; M176-L215 HydrophobicContact CG-CG 4.41Å; M176-L215 HydrophobicContact SD-CD1 4.32Å; T179-L215 HydrophobicContact CG2-CD2 3.83Å; Y180-L215 HydrophobicContact CE1-CB 4.4Å; Y180-L215 HydrophobicContact CE1-CD2 4.4Å; Y180-L215 HydrophobicContact CE1-CG 3.76Å; Y202-L215 HydrophobicContact CD2-CB 4.38Å; Y202-L215 HydrophobicContact CD2-CD2 4.3Å; Y202-L215 HydrophobicContact CE2-CB 4.3Å; M205-L215 HydrophobicContact CB-CD2 4.37Å; M205-L215 HydrophobicContact CE-CD1 3.77Å; M205-L215 HydrophobicContact CG-CD1 4.42Å; M205-L215 HydrophobicContact CG-CD2 3.87Å; Y212-L215 PolarHBondContact O-N 2.79Å; L215-N217 PolarHBondContact O-N 3.23Å; L215-L218 PolarHBondContact O-N 3.49Å; L215-I219 WeakPolarHBondContact O-CG1 3.5Å; L215-I219 PolarHBondContact O-N 3.02Å |
| 216 | I | 91.6 | Very high | 92.4 | Very high | 15 Ų | 15 | 16.8 Ų | 16.8 | 8% | 0.077 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.4 | -16 | -178.1 | -161.4 | 55 | 0 | 0 | 0 | 112.5 | Y202 Y212 V213 P220 A270 | Y202-I216 HydrophobicContact CE2-CB 4.19Å; Y202-I216 WeakPolarHBondContact OH-CB 3.13Å; Y212-I216 PolarHBondContact O-N 2.96Å; V213-I216 WeakPolarHBondContact O-CG2 3.49Å; I216-P220 WeakPolarHBondContact O-CD 3.13Å; I216-P220 WeakPolarHBondContact O-CG 3.33Å; I216-A270 HydrophobicContact CD1-CB 3.91Å; I216-A270 HydrophobicContact CG1-CB 3.83Å |
| 217 | N | 92.6 | Very high | 92 | Very high | 48 Ų | 48 | 18 Ų | 18 | 26% | 0.257 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -93.5 | -34 | 170.9 | -78 | -57.9 | 0 | 0 | 0 | 112.6 | V213 F214 L215 L221 E266 A269 | V213-N217 WeakPolarHBondContact O-CB 3.24Å; V213-N217 PolarHBondContact O-N 3.43Å; V213-N217 PolarHBondContact O-ND2 3.28Å; F214-N217 PolarHBondContact O-N 3.49Å; L215-N217 PolarHBondContact O-N 3.23Å; N217-L221 VanDerWaalsContact O-CB 3.23Å; N217-L221 WeakPolarHBondContact O-CB 3.19Å; N217-L221 PolarHBondContact O-N 3.05Å; N217-L221 VanDerWaalsContact O-N 3.13Å; N217-E266 PolarHBondContact ND2-O 2.88Å; N217-E266 PolarHBondContact OD1-O 2.99Å; N217-A269 WeakPolarHBondContact OD1-CB 3.36Å |
| 218 | L | 94 | Very high | 91.7 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -72.3 | -39.1 | 179.2 | -171 | 67.2 | 0 | 0 | 0 | 113.1 | Y180 F214 L215 L221 H222 F388 M391 Y392 T395 | Y180-L218 HydrophobicContact CE1-CD2 4.16Å; Y180-L218 HydrophobicContact CE2-CD2 4.45Å; Y180-L218 WeakPolarHBondContact OH-CD2 3.45Å; F214-L218 HydrophobicContact CE1-CD2 3.98Å; F214-L218 HydrophobicContact CZ-CD2 4.16Å; F214-L218 VanDerWaalsContact O-CB 3.27Å; F214-L218 WeakPolarHBondContact O-CB 3.33Å; F214-L218 PolarHBondContact O-N 3.1Å; L215-L218 PolarHBondContact O-N 3.49Å; L218-L221 HydrophobicContact CD1-CD2 4.5Å; L218-L221 PolarHBondContact O-N 3.09Å; L218-H222 WeakPolarHBondContact O-CB 3.22Å; L218-H222 PolarHBondContact O-N 3.36Å; L218-F388 HydrophobicContact CD2-CE2 4.07Å; L218-F388 HydrophobicContact CD2-CZ 3.87Å; L218-F388 HydrophobicContact CG-CE2 4.08Å; L218-F388 HydrophobicContact CG-CZ 4.39Å; L218-M391 HydrophobicContact CD1-CB 4.18Å; L218-Y392 HydrophobicContact CD2-CD2 3.81Å; L218-Y392 HydrophobicContact CD2-CG 4.05Å; L218-T395 HydrophobicContact CD1-CG2 4.3Å |
| 219 | I | 94.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -49 | 179.5 | -69 | 169.7 | 0 | 0 | 0 | 111.4 | W183 L215 H222 V223 Y240 | W183-I219 HydrophobicContact CD2-CG1 4.43Å; W183-I219 HydrophobicContact CD2-CG2 4.04Å; W183-I219 HydrophobicContact CE3-CG2 4.11Å; W183-I219 HydrophobicContact CG-CG1 4.43Å; W183-I219 HydrophobicContact CH2-CG2 3.77Å; W183-I219 HydrophobicContact CZ2-CG2 3.68Å; W183-I219 HydrophobicContact CZ3-CG2 3.98Å; L215-I219 WeakPolarHBondContact O-CG1 3.5Å; L215-I219 PolarHBondContact O-N 3.02Å; I219-H222 WeakPolarHBondContact O-CB 3.18Å; I219-H222 PolarHBondContact O-N 3.41Å; I219-V223 PolarHBondContact O-N 3.48Å; I219-V223 VanDerWaalsContact O-N 3.11Å; I219-Y240 HydrophobicContact CG2-CD2 3.99Å; I219-Y240 HydrophobicContact CG2-CE2 4.04Å |
| 220 | P | 93.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 173.5 | -23.5 | 34.4 | 0 | 0 | 0 | 113.2 | I216 H222 V223 L224 Y240 A270 V273 | I216-P220 WeakPolarHBondContact O-CD 3.13Å; I216-P220 WeakPolarHBondContact O-CG 3.33Å; P220-H222 PolarHBondContact O-N 3.39Å; P220-V223 PolarHBondContact O-N 2.86Å; P220-V223 VanDerWaalsContact O-N 3.11Å; P220-L224 WeakPolarHBondContact O-CB 3.39Å; P220-L224 PolarHBondContact O-N 3.16Å; P220-Y240 HydrophobicContact CB-CE2 4.21Å; P220-Y240 WeakPolarHBondContact CB-OH 3.18Å; P220-Y240 HydrophobicContact CG-CE2 4.01Å; P220-Y240 WeakPolarHBondContact CG-OH 3.43Å; P220-A270 HydrophobicContact CG-CB 3.64Å; P220-V273 HydrophobicContact CB-CB 3.83Å; P220-V273 HydrophobicContact CB-CG1 4.14Å; P220-V273 HydrophobicContact CB-CG2 3.74Å |
| 221 | L | 92.9 | Very high | 91 | Very high | 67 Ų | 67 | 33.1 Ų | 33.1 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.1 | -40.1 | 174.9 | -179 | 63.7 | 0 | 0 | 0 | 110.7 | N217 L218 L224 V225 M391 T395 | N217-L221 VanDerWaalsContact O-CB 3.23Å; N217-L221 WeakPolarHBondContact O-CB 3.19Å; N217-L221 PolarHBondContact O-N 3.05Å; N217-L221 VanDerWaalsContact O-N 3.13Å; L218-L221 HydrophobicContact CD1-CD2 4.5Å; L218-L221 PolarHBondContact O-N 3.09Å; L221-L224 PolarHBondContact O-N 3Å; L221-V225 WeakPolarHBondContact O-CG2 3.44Å; L221-V225 PolarHBondContact O-N 3.43Å; L221-M391 HydrophobicContact CD2-SD 4.46Å; L221-M391 HydrophobicContact CG-SD 4.02Å; L221-T395 HydrophobicContact CD2-CG2 4.1Å |
| 222 | H | 94.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 175 | 168.6 | -115.7 | 0 | 0 | 0 | 113.5 | W183 L218 I219 P220 L224 V225 L226 D384 F388 M391 | W183-H222 AromaticContact CE2-ND1 3.76Å; W183-H222 AromaticContact CZ2-ND1 3.69Å; W183-H222 AromaticContact NE1-CE1 3.67Å; W183-H222 AromaticContact NE1-ND1 3.23Å; W183-H222 PolarHBondContact NE1-ND1 3.41Å; L218-H222 WeakPolarHBondContact O-CB 3.22Å; L218-H222 PolarHBondContact O-N 3.36Å; I219-H222 WeakPolarHBondContact O-CB 3.18Å; I219-H222 PolarHBondContact O-N 3.41Å; P220-H222 PolarHBondContact O-N 3.39Å; H222-L224 VanDerWaalsContact C-N 3.32Å; H222-L224 PolarHBondContact O-N 3.32Å; H222-V225 PolarHBondContact O-N 2.8Å; H222-L226 WeakPolarHBondContact CE1-CD1 3.37Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.4Å; H222-L226 VanDerWaalsContact O-CG 3.3Å; H222-L226 WeakPolarHBondContact O-CG 3.4Å; H222-L226 PolarHBondContact O-N 3.41Å; H222-D384 PolarHBondContact NE2-O 3.16Å; H222-F388 HydrophobicContact CB-CD2 3.75Å; H222-F388 HydrophobicContact CB-CE2 4.38Å; H222-F388 AromaticContact CD2-CD2 3.95Å; H222-F388 AromaticContact CG-CD2 3.6Å; H222-F388 AromaticContact ND1-CD2 3.85Å; H222-M391 HydrophobicContact CB-CE 3.52Å; H222-M391 HydrophobicContact CB-SD 4.45Å; H222-M391 WeakPolarHBondContact CD2-CE 3.3Å |
| 223 | V | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | W183 I219 P220 L226 M227 F232 I236 Y240 V273 | W183-V223 HydrophobicContact CH2-CG2 3.98Å; W183-V223 HydrophobicContact CZ2-CG2 3.83Å; I219-V223 PolarHBondContact O-N 3.48Å; I219-V223 VanDerWaalsContact O-N 3.11Å; P220-V223 PolarHBondContact O-N 2.86Å; P220-V223 VanDerWaalsContact O-N 3.11Å; V223-L226 WeakPolarHBondContact O-CB 3.49Å; V223-L226 PolarHBondContact O-N 3.1Å; V223-M227 HydrophobicContact CG1-CE 3.9Å; V223-M227 WeakPolarHBondContact O-CG 3.28Å; V223-M227 PolarHBondContact O-N 3.47Å; V223-F232 HydrophobicContact CG1-CE2 4.16Å; V223-I236 HydrophobicContact CG1-CG2 4.2Å; V223-I236 HydrophobicContact CG2-CG2 4.11Å; V223-Y240 HydrophobicContact CB-CD2 4.34Å; V223-Y240 HydrophobicContact CG1-CG 4.38Å; V223-Y240 HydrophobicContact CG2-CD2 3.56Å; V223-Y240 HydrophobicContact CG2-CE2 4.2Å; V223-Y240 HydrophobicContact CG2-CG 3.85Å; V223-V273 HydrophobicContact CB-CG1 4.01Å; V223-V273 HydrophobicContact CG1-CG1 3.88Å |
| 224 | L | 91.5 | Very high | 90.6 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 29% | 0.293 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 176.2 | -175.6 | 67.6 | 0 | 0 | 0 | 111.7 | P220 L221 H222 L226 M227 L228 V273 L276 | P220-L224 WeakPolarHBondContact O-CB 3.39Å; P220-L224 PolarHBondContact O-N 3.16Å; L221-L224 PolarHBondContact O-N 3Å; H222-L224 VanDerWaalsContact C-N 3.32Å; H222-L224 PolarHBondContact O-N 3.32Å; L224-L226 VanDerWaalsContact C-N 3.31Å; L224-L226 PolarHBondContact O-N 3.03Å; L224-M227 WeakPolarHBondContact O-CB 3.26Å; L224-M227 PolarHBondContact O-N 3.41Å; L224-M227 VanDerWaalsContact O-N 3.16Å; L224-L228 HydrophobicContact CG-CD1 4.41Å; L224-L228 WeakPolarHBondContact O-CG 3.35Å; L224-L228 PolarHBondContact O-N 3.41Å; L224-V273 HydrophobicContact CB-CG2 4.28Å; L224-L276 HydrophobicContact CD1-CD1 4.15Å |
| 225 | V | 91.7 | Very high | 90.7 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L221 H222 M227 L228 T229 I387 M391 | L221-V225 WeakPolarHBondContact O-CG2 3.44Å; L221-V225 PolarHBondContact O-N 3.43Å; H222-V225 PolarHBondContact O-N 2.8Å; V225-M227 VanDerWaalsContact C-N 3.31Å; V225-M227 PolarHBondContact O-N 2.99Å; V225-L228 PolarHBondContact O-N 2.82Å; V225-T229 HydrophobicContact CG1-CG2 4.22Å; V225-T229 WeakPolarHBondContact O-CB 3.35Å; V225-T229 VanDerWaalsContact O-CG2 3.31Å; V225-T229 WeakPolarHBondContact O-CG2 3.01Å; V225-T229 PolarHBondContact O-N 2.99Å; V225-T229 PolarHBondContact O-OG1 2.96Å; V225-I387 HydrophobicContact CG1-CG2 3.75Å; V225-M391 HydrophobicContact CB-CE 4.22Å; V225-M391 HydrophobicContact CB-SD 3.81Å; V225-M391 HydrophobicContact CG1-CE 4.5Å; V225-M391 HydrophobicContact CG1-SD 4.29Å; V225-M391 HydrophobicContact CG2-SD 3.5Å; V225-M391 WeakPolarHBondContact CG2-SD 3.49Å |
| 226 | L | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 172.9 | -71.2 | 172.2 | 0 | 0 | 0 | 112.5 | H222 V223 L224 T229 G230 R231 F232 I236 D384 I387 | H222-L226 WeakPolarHBondContact CE1-CD1 3.37Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.4Å; H222-L226 VanDerWaalsContact O-CG 3.3Å; H222-L226 WeakPolarHBondContact O-CG 3.4Å; H222-L226 PolarHBondContact O-N 3.41Å; V223-L226 WeakPolarHBondContact O-CB 3.49Å; V223-L226 PolarHBondContact O-N 3.1Å; L224-L226 VanDerWaalsContact C-N 3.31Å; L224-L226 PolarHBondContact O-N 3.03Å; L226-T229 WeakPolarHBondContact CA-OG1 3.11Å; L226-T229 PolarHBondContact O-OG1 2.95Å; L226-G230 PolarHBondContact O-N 3Å; L226-R231 HydrophobicContact CD2-CB 4.11Å; L226-R231 CarbonylContact O-C 3.59Å; L226-R231 PolarHBondContact O-N 3.43Å; L226-F232 PolarHBondContact O-N 2.98Å; L226-I236 HydrophobicContact CB-CD1 4.4Å; L226-I236 HydrophobicContact CD1-CD1 3.74Å; L226-I236 HydrophobicContact CD1-CG1 4.17Å; L226-I236 HydrophobicContact CD1-CG2 4.28Å; L226-D384 HydrophobicContact CD2-CB 4.01Å; L226-I387 HydrophobicContact CD2-CD1 3.98Å |
| 227 | M | 87.2 | Confident | 90.8 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -49 | 171.2 | -68.8 | 174.3 | 176.9 | 0 | 0 | 111.7 | V223 L224 V225 T229 G230 F232 C277 | V223-M227 HydrophobicContact CG1-CE 3.9Å; V223-M227 WeakPolarHBondContact O-CG 3.28Å; V223-M227 PolarHBondContact O-N 3.47Å; L224-M227 WeakPolarHBondContact O-CB 3.26Å; L224-M227 PolarHBondContact O-N 3.41Å; L224-M227 VanDerWaalsContact O-N 3.16Å; V225-M227 VanDerWaalsContact C-N 3.31Å; V225-M227 PolarHBondContact O-N 2.99Å; M227-T229 VanDerWaalsContact C-N 3.29Å; M227-T229 PolarHBondContact O-N 3.49Å; M227-G230 PolarHBondContact O-N 3.25Å; M227-F232 HydrophobicContact CE-CD2 3.88Å; M227-F232 HydrophobicContact CE-CE2 3.49Å; M227-F232 VanDerWaalsContact CE-CE2 3.49Å; M227-F232 HydrophobicContact CE-CZ 3.86Å; M227-F232 HydrophobicContact CG-CB 4.14Å; M227-F232 HydrophobicContact CG-CD2 3.68Å; M227-F232 HydrophobicContact CG-CE2 4.29Å; M227-F232 HydrophobicContact CG-CG 4Å; M227-C277 HydrophobicContact CE-CB 4.03Å; M227-C277 WeakPolarHBondContact CE-SG 3.21Å |
| 228 | L | 87.6 | Confident | 90.9 | Very high | 139 Ų | 139 | 48.5 Ų | 48.5 | 73% | 0.728 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.7 | -33 | -179 | -68.3 | 174.2 | 0 | 0 | 0 | 113.1 | L224 V225 G230 | L224-L228 HydrophobicContact CG-CD1 4.41Å; L224-L228 WeakPolarHBondContact O-CG 3.35Å; L224-L228 PolarHBondContact O-N 3.41Å; V225-L228 PolarHBondContact O-N 2.82Å; L228-G230 PolarHBondContact O-N 3.34Å |
| 229 | T | 87.6 | Confident | 90.9 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 1.2 | 176.4 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | V225 L226 M227 R231 | V225-T229 HydrophobicContact CG1-CG2 4.22Å; V225-T229 WeakPolarHBondContact O-CB 3.35Å; V225-T229 VanDerWaalsContact O-CG2 3.31Å; V225-T229 WeakPolarHBondContact O-CG2 3.01Å; V225-T229 PolarHBondContact O-N 2.99Å; V225-T229 PolarHBondContact O-OG1 2.96Å; L226-T229 WeakPolarHBondContact CA-OG1 3.11Å; L226-T229 PolarHBondContact O-OG1 2.95Å; M227-T229 VanDerWaalsContact C-N 3.29Å; M227-T229 PolarHBondContact O-N 3.49Å; T229-R231 PolarHBondContact O-N 3.38Å |
| 230 | G | 83.7 | Confident | 90.9 | Very high | 68 Ų | 68 | 48.2 Ų | 48.2 | 70% | 0.701 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 18.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L226 M227 L228 | L226-G230 PolarHBondContact O-N 3Å; M227-G230 PolarHBondContact O-N 3.25Å; L228-G230 PolarHBondContact O-N 3.34Å |
| 231 | R | 86.2 | Confident | 91 | Very high | 95 Ų | 95 | 48.9 Ų | 48.9 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | trans | -98.3 | 9.3 | -178.9 | -67 | -175.9 | 173.7 | -134.2 | 4 | 113.3 | L226 T229 S233 I236 L382 D384 | L226-R231 HydrophobicContact CD2-CB 4.11Å; L226-R231 CarbonylContact O-C 3.59Å; L226-R231 PolarHBondContact O-N 3.43Å; T229-R231 PolarHBondContact O-N 3.38Å; R231-S233 PolarHBondContact O-N 3.49Å; R231-I236 VanDerWaalsContact O-CD1 3.29Å; R231-I236 WeakPolarHBondContact O-CD1 2.99Å; R231-L382 PolarHBondContact NH1-O 2.83Å; R231-L382 PolarHBondContact NH2-O 2.88Å; R231-D384 IonicContact NH1-OD1 3.47Å | ||
| 232 | F | 86 | Confident | 91.1 | Very high | 29 Ų | 29 | 47 Ų | 47 | 13% | 0.127 | 25% | 0.247 | C | C | . | . | trans | -65.2 | 123 | 178.8 | -169.5 | -106.6 | 0 | 0 | 0 | 110.6 | V223 L226 M227 I236 Y237 H280 | V223-F232 HydrophobicContact CG1-CE2 4.16Å; L226-F232 PolarHBondContact O-N 2.98Å; M227-F232 HydrophobicContact CE-CD2 3.88Å; M227-F232 HydrophobicContact CE-CE2 3.49Å; M227-F232 VanDerWaalsContact CE-CE2 3.49Å; M227-F232 HydrophobicContact CE-CZ 3.86Å; M227-F232 HydrophobicContact CG-CB 4.14Å; M227-F232 HydrophobicContact CG-CD2 3.68Å; M227-F232 HydrophobicContact CG-CE2 4.29Å; M227-F232 HydrophobicContact CG-CG 4Å; F232-I236 HydrophobicContact CD2-CB 4.36Å; F232-I236 HydrophobicContact CD2-CG2 4.02Å; F232-I236 HydrophobicContact CE2-CB 4.35Å; F232-I236 HydrophobicContact CE2-CG2 3.9Å; F232-Y237 HydrophobicContact CZ-CD2 4.11Å; F232-Y237 HydrophobicContact CZ-CG 4.44Å; F232-H280 AromaticContact CD1-CE1 3.69Å; F232-H280 AromaticContact CD1-ND1 3.45Å; F232-H280 WeakPolarHBondContact CD1-ND1 3.22Å; F232-H280 HydrophobicContact CE1-CB 4.5Å; F232-H280 AromaticContact CE1-ND1 3.82Å | ||
| 233 | S | 88.3 | Confident | 91.2 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | trans | -127.8 | 159.8 | -178 | 70.7 | 0 | 0 | 0 | 0 | 110.5 | R231 R235 I236 Y237 | R231-S233 PolarHBondContact O-N 3.49Å; S233-R235 PolarHBondContact O-N 3.02Å; S233-I236 WeakPolarHBondContact O-CB 3.4Å; S233-I236 PolarHBondContact O-N 3.32Å; S233-Y237 PolarHBondContact O-N 3.49Å; S233-Y237 VanDerWaalsContact O-N 3.12Å | ||
| 234 | H | 90.1 | Very high | 91.2 | Very high | 145 Ų | 145 | 48.5 Ų | 48.5 | 67% | 0.671 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -55.6 | -27.9 | 176 | -171.5 | -84.4 | 0 | 0 | 0 | 112.7 | Y237 V238 | H234-Y237 PolarHBondContact O-N 3.24Å; H234-V238 VanDerWaalsContact CE1-CG2 3.41Å; H234-V238 WeakPolarHBondContact CE1-CG2 3.44Å; H234-V238 WeakPolarHBondContact O-CG2 3.43Å; H234-V238 PolarHBondContact O-N 2.87Å |
| 235 | R | 93.5 | Very high | 91.4 | Very high | 150 Ų | 150 | 48.5 Ų | 48.5 | 57% | 0.566 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 175.8 | -59.8 | -178.9 | -173.1 | 172.4 | 4.9 | 111.8 | S233 A239 | S233-R235 PolarHBondContact O-N 3.02Å; R235-A239 WeakPolarHBondContact O-CB 3.48Å; R235-A239 PolarHBondContact O-N 3.43Å |
| 236 | I | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | 178.6 | -64.6 | 155.2 | 0 | 0 | 0 | 109.9 | V187 V223 L226 R231 F232 S233 A239 Y240 | V187-I236 HydrophobicContact CG1-CG1 4.02Å; V223-I236 HydrophobicContact CG1-CG2 4.2Å; V223-I236 HydrophobicContact CG2-CG2 4.11Å; L226-I236 HydrophobicContact CB-CD1 4.4Å; L226-I236 HydrophobicContact CD1-CD1 3.74Å; L226-I236 HydrophobicContact CD1-CG1 4.17Å; L226-I236 HydrophobicContact CD1-CG2 4.28Å; R231-I236 VanDerWaalsContact O-CD1 3.29Å; R231-I236 WeakPolarHBondContact O-CD1 2.99Å; F232-I236 HydrophobicContact CD2-CB 4.36Å; F232-I236 HydrophobicContact CD2-CG2 4.02Å; F232-I236 HydrophobicContact CE2-CB 4.35Å; F232-I236 HydrophobicContact CE2-CG2 3.9Å; S233-I236 WeakPolarHBondContact O-CB 3.4Å; S233-I236 PolarHBondContact O-N 3.32Å; I236-A239 PolarHBondContact O-N 3.2Å; I236-Y240 WeakPolarHBondContact O-CB 3.31Å; I236-Y240 PolarHBondContact O-N 2.93Å |
| 237 | Y | 93.8 | Very high | 91.7 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 21% | 0.208 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.2 | -54.1 | 175.3 | 176.6 | -99.6 | 0 | 0 | 0 | 111.9 | F232 S233 H234 A239 Y240 C241 C277 Q278 A281 | F232-Y237 HydrophobicContact CZ-CD2 4.11Å; F232-Y237 HydrophobicContact CZ-CG 4.44Å; S233-Y237 PolarHBondContact O-N 3.49Å; S233-Y237 VanDerWaalsContact O-N 3.12Å; H234-Y237 PolarHBondContact O-N 3.24Å; Y237-A239 VanDerWaalsContact C-N 3.32Å; Y237-A239 PolarHBondContact O-N 3.28Å; Y237-Y240 PolarHBondContact O-N 2.88Å; Y237-C241 VanDerWaalsContact CE2-SG 3.51Å; Y237-C241 WeakPolarHBondContact O-CB 3.44Å; Y237-C241 PolarHBondContact O-N 3.17Å; Y237-C241 PolarHBondContact O-SG 3.05Å; Y237-C241 VanDerWaalsContact O-SG 3.4Å; Y237-C277 HydrophobicContact CD2-CB 4.26Å; Y237-C277 HydrophobicContact CE2-CB 4.43Å; Y237-Q278 PolarHBondContact OH-NE2 3.42Å; Y237-Q278 PolarHBondContact OH-OE1 3.05Å; Y237-A281 HydrophobicContact CD2-CB 3.81Å; Y237-A281 HydrophobicContact CE2-CB 3.67Å; Y237-A281 HydrophobicContact CG-CB 4.44Å |
| 238 | V | 94.3 | Very high | 92 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 179.3 | 173 | 0 | 0 | 0 | 0 | 111.4 | I192 H234 T242 | I192-V238 HydrophobicContact CD1-CG1 4.37Å; I192-V238 HydrophobicContact CG1-CG1 3.57Å; H234-V238 VanDerWaalsContact CE1-CG2 3.41Å; H234-V238 WeakPolarHBondContact CE1-CG2 3.44Å; H234-V238 WeakPolarHBondContact O-CG2 3.43Å; H234-V238 PolarHBondContact O-N 2.87Å; V238-T242 VanDerWaalsContact O-CB 3.28Å; V238-T242 WeakPolarHBondContact O-CB 3.43Å; V238-T242 PolarHBondContact O-N 3.47Å; V238-T242 PolarHBondContact O-OG1 3.37Å |
| 239 | A | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -51.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W183 A186 R235 I236 Y237 V243 | W183-A239 HydrophobicContact CZ3-CB 4.23Å; A186-A239 HydrophobicContact CB-CB 4.13Å; R235-A239 WeakPolarHBondContact O-CB 3.48Å; R235-A239 PolarHBondContact O-N 3.43Å; I236-A239 PolarHBondContact O-N 3.2Å; Y237-A239 VanDerWaalsContact C-N 3.32Å; Y237-A239 PolarHBondContact O-N 3.28Å; A239-V243 WeakPolarHBondContact O-CB 3.26Å; A239-V243 VanDerWaalsContact O-CG2 3.29Å; A239-V243 WeakPolarHBondContact O-CG2 3.28Å; A239-V243 PolarHBondContact O-N 2.81Å |
| 240 | Y | 95.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -48.4 | -176.3 | -176.6 | -107 | 0 | 0 | 0 | 112.4 | W183 I219 P220 V223 I236 Y237 T242 V243 Y244 A270 V273 F274 C277 | W183-Y240 AromaticContact CH2-CD2 3.97Å; W183-Y240 HydrophobicContact CH2-CD2 3.97Å; W183-Y240 HydrophobicContact CH2-CG 4.47Å; I219-Y240 HydrophobicContact CG2-CD2 3.99Å; I219-Y240 HydrophobicContact CG2-CE2 4.04Å; P220-Y240 HydrophobicContact CB-CE2 4.21Å; P220-Y240 WeakPolarHBondContact CB-OH 3.18Å; P220-Y240 HydrophobicContact CG-CE2 4.01Å; P220-Y240 WeakPolarHBondContact CG-OH 3.43Å; V223-Y240 HydrophobicContact CB-CD2 4.34Å; V223-Y240 HydrophobicContact CG1-CG 4.38Å; V223-Y240 HydrophobicContact CG2-CD2 3.56Å; V223-Y240 HydrophobicContact CG2-CE2 4.2Å; V223-Y240 HydrophobicContact CG2-CG 3.85Å; I236-Y240 WeakPolarHBondContact O-CB 3.31Å; I236-Y240 PolarHBondContact O-N 2.93Å; Y237-Y240 PolarHBondContact O-N 2.88Å; Y240-T242 VanDerWaalsContact C-N 3.3Å; Y240-T242 PolarHBondContact O-N 2.78Å; Y240-V243 PolarHBondContact O-N 2.91Å; Y240-Y244 VanDerWaalsContact O-CB 3.32Å; Y240-Y244 WeakPolarHBondContact O-CB 3.22Å; Y240-Y244 PolarHBondContact O-N 3.46Å; Y240-A270 PolarHBondContact OH-O 3.27Å; Y240-V273 HydrophobicContact CE1-CB 4.4Å; Y240-V273 HydrophobicContact CE1-CG1 3.89Å; Y240-F274 HydrophobicContact CE1-CB 4Å; Y240-F274 HydrophobicContact CE1-CD2 4.43Å; Y240-C277 HydrophobicContact CD1-CB 4.47Å; Y240-C277 WeakPolarHBondContact CD1-SG 3.14Å |
| 241 | C | 94.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 10% | 0.101 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | -179.1 | -69 | 0 | 0 | 0 | 0 | 111.8 | Y237 C245 F274 | Y237-C241 VanDerWaalsContact CE2-SG 3.51Å; Y237-C241 WeakPolarHBondContact O-CB 3.44Å; Y237-C241 PolarHBondContact O-N 3.17Å; Y237-C241 PolarHBondContact O-SG 3.05Å; Y237-C241 VanDerWaalsContact O-SG 3.4Å; C241-C245 WeakPolarHBondContact O-CB 3.44Å; C241-C245 PolarHBondContact O-N 3.08Å; C241-C245 PolarHBondContact O-SG 3.06Å; C241-F274 HydrophobicContact CB-CE2 4.07Å |
| 242 | T | 95 | Very high | 93.5 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -46.9 | 176.8 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | I192 A195 V238 Y240 L246 | I192-T242 HydrophobicContact CG2-CG2 4.06Å; A195-T242 HydrophobicContact CB-CG2 3.72Å; V238-T242 VanDerWaalsContact O-CB 3.28Å; V238-T242 WeakPolarHBondContact O-CB 3.43Å; V238-T242 PolarHBondContact O-N 3.47Å; V238-T242 PolarHBondContact O-OG1 3.37Å; Y240-T242 VanDerWaalsContact C-N 3.3Å; Y240-T242 PolarHBondContact O-N 2.78Å; T242-L246 HydrophobicContact CG2-CD1 3.8Å; T242-L246 HydrophobicContact CG2-CG 4.47Å; T242-L246 WeakPolarHBondContact O-CB 3.45Å; T242-L246 WeakPolarHBondContact O-CG 3.11Å; T242-L246 PolarHBondContact O-N 3.44Å |
| 243 | V | 95.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 178.8 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | W183 A195 C198 A239 Y240 G247 | W183-V243 HydrophobicContact CE3-CG2 4.08Å; W183-V243 HydrophobicContact CZ3-CB 4.29Å; W183-V243 HydrophobicContact CZ3-CG2 4.03Å; A195-V243 HydrophobicContact CB-CG2 3.99Å; A195-V243 WeakPolarHBondContact O-CG2 3.29Å; C198-V243 HydrophobicContact CB-CG2 3.93Å; A239-V243 WeakPolarHBondContact O-CB 3.26Å; A239-V243 VanDerWaalsContact O-CG2 3.29Å; A239-V243 WeakPolarHBondContact O-CG2 3.28Å; A239-V243 PolarHBondContact O-N 2.81Å; Y240-V243 PolarHBondContact O-N 2.91Å; V243-G247 WeakPolarHBondContact O-CA 3.32Å; V243-G247 PolarHBondContact O-N 3.1Å |
| 244 | Y | 94.7 | Very high | 94 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 10% | 0.102 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -51.5 | 179.7 | 180 | -102.9 | 0 | 0 | 0 | 111.7 | Y240 T248 A270 F271 F274 | Y240-Y244 VanDerWaalsContact O-CB 3.32Å; Y240-Y244 WeakPolarHBondContact O-CB 3.22Å; Y240-Y244 PolarHBondContact O-N 3.46Å; Y244-T248 VanDerWaalsContact O-CB 3.24Å; Y244-T248 WeakPolarHBondContact O-CB 3.49Å; Y244-T248 PolarHBondContact O-N 2.82Å; Y244-T248 PolarHBondContact O-OG1 3.29Å; Y244-A270 HydrophobicContact CD2-CB 4Å; Y244-A270 HydrophobicContact CE2-CB 3.68Å; Y244-F271 WeakPolarHBondContact OH-CA 3.3Å; Y244-F271 WeakPolarHBondContact OH-CB 3.48Å; Y244-F271 VanDerWaalsContact OH-CD2 3.31Å; Y244-F271 WeakPolarHBondContact OH-CD2 3.38Å; Y244-F274 HydrophobicContact CD1-CB 3.73Å; Y244-F274 AromaticContact CD1-CD1 3.93Å; Y244-F274 HydrophobicContact CD1-CD1 3.93Å; Y244-F274 AromaticContact CD1-CD2 3.26Å; Y244-F274 HydrophobicContact CD1-CD2 3.26Å; Y244-F274 HydrophobicContact CD1-CE1 4.36Å; Y244-F274 AromaticContact CD1-CE2 3.76Å; Y244-F274 HydrophobicContact CD1-CE2 3.76Å; Y244-F274 AromaticContact CD1-CG 3.35Å; Y244-F274 HydrophobicContact CD1-CG 3.35Å; Y244-F274 HydrophobicContact CD1-CZ 4.28Å; Y244-F274 HydrophobicContact CE1-CB 3.77Å; Y244-F274 AromaticContact CE1-CD1 3.73Å; Y244-F274 HydrophobicContact CE1-CD1 3.73Å; Y244-F274 AromaticContact CE1-CD2 3.95Å; Y244-F274 HydrophobicContact CE1-CD2 3.95Å; Y244-F274 HydrophobicContact CE1-CE1 4.29Å; Y244-F274 HydrophobicContact CE1-CE2 4.47Å; Y244-F274 AromaticContact CE1-CG 3.53Å; Y244-F274 HydrophobicContact CE1-CG 3.53Å; Y244-F274 HydrophobicContact CG-CB 4.13Å; Y244-F274 AromaticContact CG-CD2 3.91Å; Y244-F274 HydrophobicContact CG-CD2 3.91Å; Y244-F274 HydrophobicContact CG-CG 4.13Å |
| 245 | C | 94.7 | Very high | 93.9 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 38% | 0.378 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.1 | -51.7 | -178.6 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | C241 I249 | C241-C245 WeakPolarHBondContact O-CB 3.44Å; C241-C245 PolarHBondContact O-N 3.08Å; C241-C245 PolarHBondContact O-SG 3.06Å; C245-I249 WeakPolarHBondContact O-CD1 3.37Å; C245-I249 VanDerWaalsContact O-CG1 3.28Å; C245-I249 WeakPolarHBondContact O-CG1 3.47Å; C245-I249 PolarHBondContact O-N 3.09Å |
| 246 | L | 95.4 | Very high | 93.7 | Very high | 73 Ų | 73 | 37.4 Ų | 37.4 | 38% | 0.382 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.5 | -44.3 | -179.2 | -67.4 | 178.1 | 0 | 0 | 0 | 111.7 | A196 A199 T242 T248 I249 L250 | A196-L246 HydrophobicContact CB-CD1 4.06Å; A199-L246 HydrophobicContact CB-CB 3.65Å; A199-L246 HydrophobicContact CB-CD1 4.49Å; T242-L246 HydrophobicContact CG2-CD1 3.8Å; T242-L246 HydrophobicContact CG2-CG 4.47Å; T242-L246 WeakPolarHBondContact O-CB 3.45Å; T242-L246 WeakPolarHBondContact O-CG 3.11Å; T242-L246 PolarHBondContact O-N 3.44Å; L246-T248 PolarHBondContact O-N 3.35Å; L246-I249 PolarHBondContact O-N 3.5Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 WeakPolarHBondContact O-CG 3.2Å; L246-L250 PolarHBondContact O-N 3.04Å |
| 247 | G | 94.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V243 S251 | V243-G247 WeakPolarHBondContact O-CA 3.32Å; V243-G247 PolarHBondContact O-N 3.1Å; G247-S251 VanDerWaalsContact O-CB 3.28Å; G247-S251 WeakPolarHBondContact O-CB 3.45Å; G247-S251 PolarHBondContact O-N 2.71Å; G247-S251 PolarHBondContact O-OG 3.17Å |
| 248 | T | 93.3 | Very high | 93.5 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -47.9 | 178.4 | -48.1 | 0 | 0 | 0 | 0 | 110.8 | Y244 L246 L250 S251 M252 P261 | Y244-T248 VanDerWaalsContact O-CB 3.24Å; Y244-T248 WeakPolarHBondContact O-CB 3.49Å; Y244-T248 PolarHBondContact O-N 2.82Å; Y244-T248 PolarHBondContact O-OG1 3.29Å; L246-T248 PolarHBondContact O-N 3.35Å; T248-L250 VanDerWaalsContact C-N 3.31Å; T248-L250 PolarHBondContact O-N 3.45Å; T248-S251 WeakPolarHBondContact CA-OG 3.28Å; T248-S251 PolarHBondContact O-N 3.24Å; T248-S251 PolarHBondContact O-OG 3.46Å; T248-M252 HydrophobicContact CG2-CE 3.52Å; T248-M252 WeakPolarHBondContact O-CG 3.49Å; T248-M252 PolarHBondContact O-N 2.96Å; T248-M252 VanDerWaalsContact O-N 3.1Å; T248-P261 HydrophobicContact CG2-CB 3.88Å |
| 249 | I | 95.1 | Very high | 93.3 | Very high | 103 Ų | 103 | 41.9 Ų | 41.9 | 53% | 0.528 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59 | -42.6 | 178.1 | -68.7 | 169 | 0 | 0 | 0 | 111.5 | C245 L246 Q253 | C245-I249 WeakPolarHBondContact O-CD1 3.37Å; C245-I249 VanDerWaalsContact O-CG1 3.28Å; C245-I249 WeakPolarHBondContact O-CG1 3.47Å; C245-I249 PolarHBondContact O-N 3.09Å; L246-I249 PolarHBondContact O-N 3.5Å; I249-Q253 PolarHBondContact O-NE2 3.35Å |
| 250 | L | 94.3 | Very high | 92.9 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 177.5 | -70.8 | 171.9 | 0 | 0 | 0 | 111.8 | L200 F203 L246 T248 M252 Q253 | L200-L250 HydrophobicContact CD2-CD1 4.14Å; F203-L250 HydrophobicContact CB-CB 3.92Å; F203-L250 HydrophobicContact CB-CD1 4.1Å; F203-L250 HydrophobicContact CD2-CB 3.76Å; F203-L250 VanDerWaalsContact CD2-O 3.29Å; F203-L250 WeakPolarHBondContact CD2-O 3.46Å; F203-L250 WeakPolarHBondContact CE2-O 3.07Å; F203-L250 HydrophobicContact CG-CB 4.02Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 WeakPolarHBondContact O-CG 3.2Å; L246-L250 PolarHBondContact O-N 3.04Å; T248-L250 VanDerWaalsContact C-N 3.31Å; T248-L250 PolarHBondContact O-N 3.45Å; L250-M252 VanDerWaalsContact C-N 3.27Å; L250-M252 PolarHBondContact O-N 2.96Å; L250-Q253 WeakPolarHBondContact O-CB 3.26Å; L250-Q253 PolarHBondContact O-N 2.91Å; L250-Q253 VanDerWaalsContact O-N 3.11Å |
| 251 | S | 93.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -33.6 | 178.6 | 68.5 | 0 | 0 | 0 | 0 | 113 | G247 T248 Q253 I254 | G247-S251 VanDerWaalsContact O-CB 3.28Å; G247-S251 WeakPolarHBondContact O-CB 3.45Å; G247-S251 PolarHBondContact O-N 2.71Å; G247-S251 PolarHBondContact O-OG 3.17Å; T248-S251 WeakPolarHBondContact CA-OG 3.28Å; T248-S251 PolarHBondContact O-N 3.24Å; T248-S251 PolarHBondContact O-OG 3.46Å; S251-Q253 PolarHBondContact O-N 3.18Å; S251-I254 PolarHBondContact O-N 3.39Å |
| 252 | M | 93.6 | Very high | 92.1 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 27% | 0.266 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -15.4 | 177 | -66.6 | -178.2 | -164.9 | 0 | 0 | 113.6 | T248 L250 I254 G258 P261 V262 | T248-M252 HydrophobicContact CG2-CE 3.52Å; T248-M252 WeakPolarHBondContact O-CG 3.49Å; T248-M252 PolarHBondContact O-N 2.96Å; T248-M252 VanDerWaalsContact O-N 3.1Å; L250-M252 VanDerWaalsContact C-N 3.27Å; L250-M252 PolarHBondContact O-N 2.96Å; M252-I254 VanDerWaalsContact C-N 3.28Å; M252-I254 PolarHBondContact O-N 3.29Å; M252-G258 WeakPolarHBondContact CA-O 3.42Å; M252-P261 HydrophobicContact CE-CB 4.43Å; M252-P261 HydrophobicContact CG-CG 4.27Å; M252-V262 HydrophobicContact CE-CG2 3.34Å; M252-V262 HydrophobicContact SD-CG2 4.45Å |
| 253 | Q | 93.3 | Very high | 91.6 | Very high | 130 Ų | 130 | 51.8 Ų | 51.8 | 61% | 0.607 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -17.4 | 178.6 | -57 | -55.6 | -50.2 | 0 | 0 | 113.1 | F203 I249 L250 S251 S255 | F203-Q253 HydrophobicContact CE2-CB 4.44Å; I249-Q253 PolarHBondContact O-NE2 3.35Å; L250-Q253 WeakPolarHBondContact O-CB 3.26Å; L250-Q253 PolarHBondContact O-N 2.91Å; L250-Q253 VanDerWaalsContact O-N 3.11Å; S251-Q253 PolarHBondContact O-N 3.18Å; Q253-S255 PolarHBondContact O-N 3.13Å |
| 254 | I | 92.1 | Very high | 91 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -81.9 | 115.9 | 177.8 | -56.8 | -56.3 | 0 | 0 | 0 | 108.4 | F203 V206 S251 M252 F256 V257 G258 | F203-I254 HydrophobicContact CE2-CD1 3.68Å; F203-I254 HydrophobicContact CE2-CG1 4.06Å; F203-I254 HydrophobicContact CZ-CD1 4.08Å; V206-I254 HydrophobicContact CG1-CG1 4.13Å; S251-I254 PolarHBondContact O-N 3.39Å; M252-I254 VanDerWaalsContact C-N 3.28Å; M252-I254 PolarHBondContact O-N 3.29Å; I254-F256 HydrophobicContact CG2-CB 4.49Å; I254-F256 PolarHBondContact O-N 3.06Å; I254-F256 VanDerWaalsContact O-N 3.09Å; I254-V257 HydrophobicContact CB-CB 4.28Å; I254-V257 HydrophobicContact CB-CG2 4.18Å; I254-V257 HydrophobicContact CG2-CG2 4.2Å; I254-V257 WeakPolarHBondContact O-CA 3.32Å; I254-V257 PolarHBondContact O-N 2.9Å; I254-G258 PolarHBondContact O-N 2.89Å |
| 255 | S | 89.1 | Confident | 90.4 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 43% | 0.427 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35.6 | -173.9 | -56.4 | 0 | 0 | 0 | 0 | 114.2 | H69 Q253 V257 | H69-S255 PolarHBondContact CE1-OG 2.85Å; Q253-S255 PolarHBondContact O-N 3.13Å; S255-V257 VanDerWaalsContact C-N 3.35Å |
| 256 | F | 89.1 | Confident | 89.9 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -32.1 | 177.2 | -174.9 | -121.5 | 0 | 0 | 0 | 113.4 | G86 Y89 I254 | G86-F256 WeakPolarHBondContact O-CA 3.31Å; G86-F256 VanDerWaalsContact O-CD2 3.32Å; G86-F256 WeakPolarHBondContact O-CD2 3.27Å; Y89-F256 HydrophobicContact CD1-CD1 4.24Å; Y89-F256 HydrophobicContact CD2-CD1 4.24Å; Y89-F256 HydrophobicContact CD2-CE1 4.31Å; Y89-F256 AromaticContact CE1-CD1 3.68Å; Y89-F256 HydrophobicContact CE1-CD1 3.68Å; Y89-F256 HydrophobicContact CE1-CE1 4.25Å; Y89-F256 AromaticContact CE2-CD1 3.67Å; Y89-F256 HydrophobicContact CE2-CD1 3.67Å; Y89-F256 AromaticContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CE2-CE1 3.49Å; Y89-F256 VanDerWaalsContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CG-CD1 4.49Å; Y89-F256 AromaticContact CZ-CD1 3.35Å; Y89-F256 AromaticContact CZ-CE1 3.45Å; Y89-F256 VanDerWaalsContact CZ-CE1 3.45Å; Y89-F256 VanDerWaalsContact OH-CE1 3.32Å; Y89-F256 WeakPolarHBondContact OH-CE1 3.22Å; I254-F256 HydrophobicContact CG2-CB 4.49Å; I254-F256 PolarHBondContact O-N 3.06Å; I254-F256 VanDerWaalsContact O-N 3.09Å |
| 257 | V | 90.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -44.1 | 176.4 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | Y89 V206 Y212 I254 S255 F259 Q260 P261 | Y89-V257 HydrophobicContact CE1-CG2 4.22Å; V206-V257 HydrophobicContact CG1-CG2 3.82Å; Y212-V257 HydrophobicContact CE1-CG2 4.15Å; I254-V257 HydrophobicContact CB-CB 4.28Å; I254-V257 HydrophobicContact CB-CG2 4.18Å; I254-V257 HydrophobicContact CG2-CG2 4.2Å; I254-V257 WeakPolarHBondContact O-CA 3.32Å; I254-V257 PolarHBondContact O-N 2.9Å; S255-V257 VanDerWaalsContact C-N 3.35Å; V257-F259 PolarHBondContact O-N 3.19Å; V257-F259 VanDerWaalsContact O-N 3.17Å; V257-Q260 HydrophobicContact CG1-CB 4.49Å; V257-Q260 WeakPolarHBondContact O-CB 3.44Å; V257-Q260 WeakPolarHBondContact O-CG 3.32Å; V257-Q260 PolarHBondContact O-N 3.33Å; V257-P261 HydrophobicContact CG1-CG 3.64Å |
| 258 | G | 90.6 | Very high | 89.1 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 19% | 0.186 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | -121 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M252 I254 | M252-G258 WeakPolarHBondContact CA-O 3.42Å; I254-G258 PolarHBondContact O-N 2.89Å |
| 259 | F | 90.7 | Very high | 88.7 | Confident | 152 Ų | 152 | 49.8 Ų | 49.8 | 67% | 0.667 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 10.6 | 179.6 | -61.2 | -69.8 | 0 | 0 | 0 | 114.5 | V257 P261 V262 L263 | V257-F259 PolarHBondContact O-N 3.19Å; V257-F259 VanDerWaalsContact O-N 3.17Å; F259-P261 VanDerWaalsContact C-N 3.29Å; F259-V262 PolarHBondContact O-N 3.36Å; F259-L263 HydrophobicContact CB-CD1 4.06Å; F259-L263 HydrophobicContact CB-CG 4.45Å; F259-L263 PolarHBondContact O-N 2.91Å; F259-L263 VanDerWaalsContact O-N 3.08Å |
| 260 | Q | 87.6 | Confident | 88.4 | Confident | 79 Ų | 79 | 44.9 Ų | 44.9 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.2 | -35.9 | 175.6 | -70.1 | 177.1 | -8.8 | 0 | 0 | 113.8 | V257 V262 L263 S264 | V257-Q260 HydrophobicContact CG1-CB 4.49Å; V257-Q260 WeakPolarHBondContact O-CB 3.44Å; V257-Q260 WeakPolarHBondContact O-CG 3.32Å; V257-Q260 PolarHBondContact O-N 3.33Å; Q260-V262 PolarHBondContact O-N 3.46Å; Q260-L263 PolarHBondContact O-N 3.12Å; Q260-S264 WeakPolarHBondContact O-CA 3.12Å; Q260-S264 WeakPolarHBondContact O-CB 3.47Å; Q260-S264 PolarHBondContact O-N 2.93Å |
| 261 | P | 87.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -18.3 | 177.4 | -25.9 | 36.3 | 0 | 0 | 0 | 114.7 | T248 M252 V257 F259 H267 | T248-P261 HydrophobicContact CG2-CB 3.88Å; M252-P261 HydrophobicContact CE-CB 4.43Å; M252-P261 HydrophobicContact CG-CG 4.27Å; V257-P261 HydrophobicContact CG1-CG 3.64Å; F259-P261 VanDerWaalsContact C-N 3.29Å; P261-H267 VanDerWaalsContact O-CB 3.29Å; P261-H267 WeakPolarHBondContact O-CB 3.45Å |
| 262 | V | 85.4 | Confident | 87.9 | Confident | 81 Ų | 81 | 50.1 Ų | 50.1 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -99.4 | -40 | 177 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | M252 F259 Q260 M268 | M252-V262 HydrophobicContact CE-CG2 3.34Å; M252-V262 HydrophobicContact SD-CG2 4.45Å; F259-V262 PolarHBondContact O-N 3.36Å; Q260-V262 PolarHBondContact O-N 3.46Å; V262-M268 VanDerWaalsContact O-CE 3.3Å; V262-M268 WeakPolarHBondContact O-CE 3.26Å |
| 263 | L | 83.9 | Confident | 87.7 | Confident | 90 Ų | 90 | 48 Ų | 48 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -89.8 | -29.3 | -171.5 | -62.1 | 174.7 | 0 | 0 | 0 | 113.4 | F259 Q260 I323 S324 | F259-L263 HydrophobicContact CB-CD1 4.06Å; F259-L263 HydrophobicContact CB-CG 4.45Å; F259-L263 PolarHBondContact O-N 2.91Å; F259-L263 VanDerWaalsContact O-N 3.08Å; Q260-L263 PolarHBondContact O-N 3.12Å; L263-I323 WeakPolarHBondContact O-CA 3.24Å; L263-S324 PolarHBondContact O-N 2.78Å; L263-S324 PolarHBondContact O-OG 2.82Å |
| 264 | S | 82.7 | Confident | 87.7 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -84.4 | 135.6 | -175.6 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | Q260 E266 H267 | Q260-S264 WeakPolarHBondContact O-CA 3.12Å; Q260-S264 WeakPolarHBondContact O-CB 3.47Å; Q260-S264 PolarHBondContact O-N 2.93Å; S264-E266 PolarHBondContact O-N 2.92Å; S264-E266 WeakPolarHBondContact OG-CB 3.37Å; S264-E266 WeakPolarHBondContact OG-CG 3.42Å; S264-E266 PolarHBondContact OG-N 2.89Å; S264-H267 PolarHBondContact O-N 3.34Å |
| 265 | S | 82.7 | Confident | 87.5 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -58.1 | -25 | 171.6 | 45.8 | 0 | 0 | 0 | 0 | 113.3 | H267 M268 S324 W326 | S265-H267 PolarHBondContact O-N 3.07Å; S265-M268 WeakPolarHBondContact O-CB 3.48Å; S265-M268 PolarHBondContact O-N 3.04Å; S265-M268 VanDerWaalsContact O-N 3.17Å; S265-S324 PolarHBondContact OG-O 3.21Å; S265-S324 VanDerWaalsContact OG-O 3.05Å; S265-W326 PolarHBondContact OG-N 2.91Å |
| 266 | E | 83.9 | Confident | 87.4 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -64.4 | -22.4 | -178.8 | -64.1 | 163.9 | -161.3 | 0 | 0 | 113.6 | V213 N217 S264 T327 F330 | V213-E266 HydrophobicContact CG1-CB 4.05Å; N217-E266 PolarHBondContact ND2-O 2.88Å; N217-E266 PolarHBondContact OD1-O 2.99Å; S264-E266 PolarHBondContact O-N 2.92Å; S264-E266 WeakPolarHBondContact OG-CB 3.37Å; S264-E266 WeakPolarHBondContact OG-CG 3.42Å; S264-E266 PolarHBondContact OG-N 2.89Å; E266-T327 WeakPolarHBondContact OE1-CG2 3.43Å; E266-T327 PolarHBondContact OE1-OG1 3.42Å; E266-F330 VanDerWaalsContact CD-CE2 3.41Å; E266-F330 HydrophobicContact CG-CD2 4.1Å; E266-F330 HydrophobicContact CG-CE2 4.43Å; E266-F330 WeakPolarHBondContact OE1-CD2 3.47Å; E266-F330 WeakPolarHBondContact OE1-CE2 3.29Å; E266-F330 VanDerWaalsContact OE2-CE2 3.3Å; E266-F330 WeakPolarHBondContact OE2-CE2 3.4Å |
| 267 | H | 87.5 | Confident | 87.4 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -103.1 | -5.5 | -179.2 | -63.3 | 84.7 | 0 | 0 | 0 | 112.9 | Y212 P261 S264 S265 A269 A270 F271 | Y212-H267 AromaticContact CE2-CE1 3.97Å; Y212-H267 AromaticContact CE2-NE2 3.26Å; Y212-H267 VanDerWaalsContact CE2-NE2 3.26Å; Y212-H267 WeakPolarHBondContact CE2-NE2 3.38Å; Y212-H267 AromaticContact CZ-NE2 3.9Å; P261-H267 VanDerWaalsContact O-CB 3.29Å; P261-H267 WeakPolarHBondContact O-CB 3.45Å; S264-H267 PolarHBondContact O-N 3.34Å; S265-H267 PolarHBondContact O-N 3.07Å; H267-A269 VanDerWaalsContact C-N 3.27Å; H267-A269 PolarHBondContact O-N 3.42Å; H267-A270 PolarHBondContact O-N 3.18Å; H267-A270 VanDerWaalsContact O-N 3.16Å; H267-F271 PolarHBondContact O-N 3.45Å |
| 268 | M | 84.3 | Confident | 87.4 | Confident | 51 Ų | 51 | 45.1 Ų | 45.1 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.5 | -27.8 | -175.5 | -68.6 | -62.4 | 105.5 | 0 | 0 | 112.5 | V262 S265 A270 F271 G272 I323 | V262-M268 VanDerWaalsContact O-CE 3.3Å; V262-M268 WeakPolarHBondContact O-CE 3.26Å; S265-M268 WeakPolarHBondContact O-CB 3.48Å; S265-M268 PolarHBondContact O-N 3.04Å; S265-M268 VanDerWaalsContact O-N 3.17Å; M268-A270 VanDerWaalsContact C-N 3.32Å; M268-A270 PolarHBondContact O-N 3.24Å; M268-F271 PolarHBondContact O-N 2.94Å; M268-G272 PolarHBondContact O-N 3.31Å; M268-I323 HydrophobicContact SD-CD1 4.28Å |
| 269 | A | 85.7 | Confident | 87.2 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N217 H267 G272 V273 | N217-A269 WeakPolarHBondContact OD1-CB 3.36Å; H267-A269 VanDerWaalsContact C-N 3.27Å; H267-A269 PolarHBondContact O-N 3.42Å; A269-G272 PolarHBondContact O-N 3.21Å; A269-V273 WeakPolarHBondContact O-CG2 3.4Å; A269-V273 PolarHBondContact O-N 2.9Å |
| 270 | A | 89.3 | Confident | 86.8 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | I216 P220 Y240 Y244 H267 M268 F274 | I216-A270 HydrophobicContact CD1-CB 3.91Å; I216-A270 HydrophobicContact CG1-CB 3.83Å; P220-A270 HydrophobicContact CG-CB 3.64Å; Y240-A270 PolarHBondContact OH-O 3.27Å; Y244-A270 HydrophobicContact CD2-CB 4Å; Y244-A270 HydrophobicContact CE2-CB 3.68Å; H267-A270 PolarHBondContact O-N 3.18Å; H267-A270 VanDerWaalsContact O-N 3.16Å; M268-A270 VanDerWaalsContact C-N 3.32Å; M268-A270 PolarHBondContact O-N 3.24Å; A270-F274 VanDerWaalsContact O-CB 3.3Å; A270-F274 WeakPolarHBondContact O-CB 3.41Å; A270-F274 PolarHBondContact O-N 2.95Å |
| 271 | F | 89.8 | Confident | 86.8 | Confident | 121 Ų | 121 | 39.8 Ų | 39.8 | 53% | 0.531 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 174.6 | -176.8 | -111.7 | 0 | 0 | 0 | 112 | Y244 H267 M268 F274 G275 | Y244-F271 WeakPolarHBondContact OH-CA 3.3Å; Y244-F271 WeakPolarHBondContact OH-CB 3.48Å; Y244-F271 VanDerWaalsContact OH-CD2 3.31Å; Y244-F271 WeakPolarHBondContact OH-CD2 3.38Å; H267-F271 PolarHBondContact O-N 3.45Å; M268-F271 PolarHBondContact O-N 2.94Å; F271-F274 WeakPolarHBondContact O-CB 3.35Å; F271-F274 PolarHBondContact O-N 3.41Å; F271-G275 PolarHBondContact O-N 3.4Å |
| 272 | G | 87 | Confident | 86.8 | Confident | 36 Ų | 36 | 45.1 Ų | 45.1 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.2 | -49 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M268 A269 F274 G275 L276 | M268-G272 PolarHBondContact O-N 3.31Å; A269-G272 PolarHBondContact O-N 3.21Å; G272-F274 VanDerWaalsContact C-N 3.28Å; G272-F274 PolarHBondContact O-N 3.02Å; G272-G275 PolarHBondContact O-N 3.43Å; G272-L276 WeakPolarHBondContact O-CG 3.32Å; G272-L276 PolarHBondContact O-N 3.47Å |
| 273 | V | 90 | Very high | 86.7 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -30.9 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | P220 V223 L224 Y240 A269 L276 C277 | P220-V273 HydrophobicContact CB-CB 3.83Å; P220-V273 HydrophobicContact CB-CG1 4.14Å; P220-V273 HydrophobicContact CB-CG2 3.74Å; V223-V273 HydrophobicContact CB-CG1 4.01Å; V223-V273 HydrophobicContact CG1-CG1 3.88Å; L224-V273 HydrophobicContact CB-CG2 4.28Å; Y240-V273 HydrophobicContact CE1-CB 4.4Å; Y240-V273 HydrophobicContact CE1-CG1 3.89Å; A269-V273 WeakPolarHBondContact O-CG2 3.4Å; A269-V273 PolarHBondContact O-N 2.9Å; V273-L276 PolarHBondContact O-N 2.78Å; V273-C277 WeakPolarHBondContact O-CB 3.45Å; V273-C277 PolarHBondContact O-N 2.91Å; V273-C277 PolarHBondContact O-SG 3.25Å |
| 274 | F | 92.1 | Very high | 86.6 | Confident | 41 Ų | 41 | 40.9 Ų | 40.9 | 18% | 0.18 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 171.5 | 179.3 | -99.8 | 0 | 0 | 0 | 111.8 | Y240 C241 Y244 A270 F271 G272 L276 C277 Q278 | Y240-F274 HydrophobicContact CE1-CB 4Å; Y240-F274 HydrophobicContact CE1-CD2 4.43Å; C241-F274 HydrophobicContact CB-CE2 4.07Å; Y244-F274 HydrophobicContact CD1-CB 3.73Å; Y244-F274 AromaticContact CD1-CD1 3.93Å; Y244-F274 HydrophobicContact CD1-CD1 3.93Å; Y244-F274 AromaticContact CD1-CD2 3.26Å; Y244-F274 HydrophobicContact CD1-CD2 3.26Å; Y244-F274 HydrophobicContact CD1-CE1 4.36Å; Y244-F274 AromaticContact CD1-CE2 3.76Å; Y244-F274 HydrophobicContact CD1-CE2 3.76Å; Y244-F274 AromaticContact CD1-CG 3.35Å; Y244-F274 HydrophobicContact CD1-CG 3.35Å; Y244-F274 HydrophobicContact CD1-CZ 4.28Å; Y244-F274 HydrophobicContact CE1-CB 3.77Å; Y244-F274 AromaticContact CE1-CD1 3.73Å; Y244-F274 HydrophobicContact CE1-CD1 3.73Å; Y244-F274 AromaticContact CE1-CD2 3.95Å; Y244-F274 HydrophobicContact CE1-CD2 3.95Å; Y244-F274 HydrophobicContact CE1-CE1 4.29Å; Y244-F274 HydrophobicContact CE1-CE2 4.47Å; Y244-F274 AromaticContact CE1-CG 3.53Å; Y244-F274 HydrophobicContact CE1-CG 3.53Å; Y244-F274 HydrophobicContact CG-CB 4.13Å; Y244-F274 AromaticContact CG-CD2 3.91Å; Y244-F274 HydrophobicContact CG-CD2 3.91Å; Y244-F274 HydrophobicContact CG-CG 4.13Å; A270-F274 VanDerWaalsContact O-CB 3.3Å; A270-F274 WeakPolarHBondContact O-CB 3.41Å; A270-F274 PolarHBondContact O-N 2.95Å; F271-F274 WeakPolarHBondContact O-CB 3.35Å; F271-F274 PolarHBondContact O-N 3.41Å; G272-F274 VanDerWaalsContact C-N 3.28Å; G272-F274 PolarHBondContact O-N 3.02Å; F274-L276 VanDerWaalsContact C-N 3.35Å; F274-L276 PolarHBondContact O-N 2.97Å; F274-C277 WeakPolarHBondContact O-CB 3.24Å; F274-C277 PolarHBondContact O-N 2.93Å; F274-Q278 HydrophobicContact CE1-CG 4.38Å; F274-Q278 HydrophobicContact CZ-CG 4.48Å; F274-Q278 WeakPolarHBondContact O-CG 3.49Å; F274-Q278 PolarHBondContact O-N 3.32Å |
| 275 | G | 88.7 | Confident | 86.8 | Confident | 30 Ų | 30 | 47 Ų | 47 | 31% | 0.309 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F271 G272 C277 Q278 I279 | F271-G275 PolarHBondContact O-N 3.4Å; G272-G275 PolarHBondContact O-N 3.43Å; G275-C277 VanDerWaalsContact C-N 3.35Å; G275-C277 PolarHBondContact O-N 3.09Å; G275-Q278 PolarHBondContact O-N 2.99Å; G275-I279 WeakPolarHBondContact O-CD1 3.24Å; G275-I279 WeakPolarHBondContact O-CG1 3.38Å; G275-I279 PolarHBondContact O-N 3.29Å; G275-I279 VanDerWaalsContact O-N 3.08Å |
| 276 | L | 87.4 | Confident | 86.9 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 176.7 | -69.5 | 172.4 | 0 | 0 | 0 | 112.6 | L224 G272 V273 F274 Q278 I279 H280 | L224-L276 HydrophobicContact CD1-CD1 4.15Å; G272-L276 WeakPolarHBondContact O-CG 3.32Å; G272-L276 PolarHBondContact O-N 3.47Å; V273-L276 PolarHBondContact O-N 2.78Å; F274-L276 VanDerWaalsContact C-N 3.35Å; F274-L276 PolarHBondContact O-N 2.97Å; L276-Q278 VanDerWaalsContact C-N 3.33Å; L276-Q278 PolarHBondContact O-N 2.97Å; L276-I279 PolarHBondContact O-N 3.45Å; L276-H280 WeakPolarHBondContact O-CB 3.36Å; L276-H280 PolarHBondContact O-N 3.32Å |
| 277 | C | 88.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 174.4 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | M227 Y237 Y240 V273 F274 G275 A281 | M227-C277 HydrophobicContact CE-CB 4.03Å; M227-C277 WeakPolarHBondContact CE-SG 3.21Å; Y237-C277 HydrophobicContact CD2-CB 4.26Å; Y237-C277 HydrophobicContact CE2-CB 4.43Å; Y240-C277 HydrophobicContact CD1-CB 4.47Å; Y240-C277 WeakPolarHBondContact CD1-SG 3.14Å; V273-C277 WeakPolarHBondContact O-CB 3.45Å; V273-C277 PolarHBondContact O-N 2.91Å; V273-C277 PolarHBondContact O-SG 3.25Å; F274-C277 WeakPolarHBondContact O-CB 3.24Å; F274-C277 PolarHBondContact O-N 2.93Å; G275-C277 VanDerWaalsContact C-N 3.35Å; G275-C277 PolarHBondContact O-N 3.09Å; C277-A281 VanDerWaalsContact O-CB 3.31Å; C277-A281 WeakPolarHBondContact O-CB 3.45Å; C277-A281 PolarHBondContact O-N 3.09Å |
| 278 | Q | 90.4 | Very high | 86.8 | Confident | 71 Ų | 71 | 59 Ų | 59 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 179.1 | -63.4 | -57.3 | -30.5 | 0 | 0 | 111.2 | Y237 F274 G275 L276 F282 | Y237-Q278 PolarHBondContact OH-NE2 3.42Å; Y237-Q278 PolarHBondContact OH-OE1 3.05Å; F274-Q278 HydrophobicContact CE1-CG 4.38Å; F274-Q278 HydrophobicContact CZ-CG 4.48Å; F274-Q278 WeakPolarHBondContact O-CG 3.49Å; F274-Q278 PolarHBondContact O-N 3.32Å; G275-Q278 PolarHBondContact O-N 2.99Å; L276-Q278 VanDerWaalsContact C-N 3.33Å; L276-Q278 PolarHBondContact O-N 2.97Å; Q278-F282 VanDerWaalsContact O-CB 3.26Å; Q278-F282 WeakPolarHBondContact O-CB 3.41Å; Q278-F282 PolarHBondContact O-N 3.12Å |
| 279 | I | 85.7 | Confident | 86.9 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 178.5 | -63.3 | 156.1 | 0 | 0 | 0 | 110.1 | G275 L276 A281 F282 V283 V306 | G275-I279 WeakPolarHBondContact O-CD1 3.24Å; G275-I279 WeakPolarHBondContact O-CG1 3.38Å; G275-I279 PolarHBondContact O-N 3.29Å; G275-I279 VanDerWaalsContact O-N 3.08Å; L276-I279 PolarHBondContact O-N 3.45Å; I279-A281 PolarHBondContact O-N 3.16Å; I279-F282 PolarHBondContact O-N 3.13Å; I279-V283 HydrophobicContact CG2-CG2 4.21Å; I279-V283 WeakPolarHBondContact O-CB 3.2Å; I279-V283 WeakPolarHBondContact O-CG2 3.39Å; I279-V283 PolarHBondContact O-N 3.43Å; I279-V306 HydrophobicContact CD1-CG1 3.57Å; I279-V306 HydrophobicContact CG1-CG1 4.41Å |
| 280 | H | 84.2 | Confident | 86.8 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | -178.8 | -168.9 | -62.7 | 0 | 0 | 0 | 111.8 | F232 L276 F282 V283 D284 | F232-H280 AromaticContact CD1-CE1 3.69Å; F232-H280 AromaticContact CD1-ND1 3.45Å; F232-H280 WeakPolarHBondContact CD1-ND1 3.22Å; F232-H280 HydrophobicContact CE1-CB 4.5Å; F232-H280 AromaticContact CE1-ND1 3.82Å; L276-H280 WeakPolarHBondContact O-CB 3.36Å; L276-H280 PolarHBondContact O-N 3.32Å; H280-F282 VanDerWaalsContact C-N 3.34Å; H280-F282 PolarHBondContact O-N 3.24Å; H280-V283 PolarHBondContact O-N 3.43Å; H280-D284 IonicContact CE1-OD1 3.46Å; H280-D284 IonicContact CE1-OD2 3.74Å; H280-D284 PolarHBondContact CE1-OD2 2.95Å; H280-D284 IonicContact ND1-OD1 2.67Å; H280-D284 IonicContact ND1-OD2 3.95Å; H280-D284 PolarHBondContact ND1-OD2 3.33Å; H280-D284 PolarHBondContact O-N 3.33Å |
| 281 | A | 85.9 | Confident | 86.4 | Confident | 27 Ų | 27 | 69.7 Ų | 69.7 | 22% | 0.223 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y237 C277 I279 D284 Y285 | Y237-A281 HydrophobicContact CD2-CB 3.81Å; Y237-A281 HydrophobicContact CE2-CB 3.67Å; Y237-A281 HydrophobicContact CG-CB 4.44Å; C277-A281 VanDerWaalsContact O-CB 3.31Å; C277-A281 WeakPolarHBondContact O-CB 3.45Å; C277-A281 PolarHBondContact O-N 3.09Å; I279-A281 PolarHBondContact O-N 3.16Å; A281-D284 PolarHBondContact O-N 2.71Å; A281-Y285 WeakPolarHBondContact O-CB 3.32Å; A281-Y285 PolarHBondContact O-N 3.44Å |
| 282 | F | 87 | Confident | 86 | Confident | 116 Ų | 116 | 68.8 Ų | 68.8 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 175.8 | -176.4 | -112 | 0 | 0 | 0 | 112.2 | Q278 I279 H280 Y285 L286 | Q278-F282 VanDerWaalsContact O-CB 3.26Å; Q278-F282 WeakPolarHBondContact O-CB 3.41Å; Q278-F282 PolarHBondContact O-N 3.12Å; I279-F282 PolarHBondContact O-N 3.13Å; H280-F282 VanDerWaalsContact C-N 3.34Å; H280-F282 PolarHBondContact O-N 3.24Å; F282-Y285 WeakPolarHBondContact O-CB 3.44Å; F282-Y285 PolarHBondContact O-N 2.9Å; F282-L286 HydrophobicContact CD1-CD1 3.78Å; F282-L286 HydrophobicContact CD1-CG 4.36Å; F282-L286 HydrophobicContact CE1-CD1 3.33Å; F282-L286 HydrophobicContact CE1-CG 4.03Å; F282-L286 HydrophobicContact CE2-CG 4.37Å; F282-L286 HydrophobicContact CZ-CD1 3.75Å; F282-L286 HydrophobicContact CZ-CD2 4.18Å; F282-L286 HydrophobicContact CZ-CG 4.02Å; F282-L286 WeakPolarHBondContact O-CG 3.11Å; F282-L286 PolarHBondContact O-N 3.2Å |
| 283 | V | 83.5 | Confident | 85.5 | Confident | 18 Ų | 18 | 75 Ų | 75 | 11% | 0.109 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 174.1 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | I279 H280 Y285 L286 R287 F295 F299 | I279-V283 HydrophobicContact CG2-CG2 4.21Å; I279-V283 WeakPolarHBondContact O-CB 3.2Å; I279-V283 WeakPolarHBondContact O-CG2 3.39Å; I279-V283 PolarHBondContact O-N 3.43Å; H280-V283 PolarHBondContact O-N 3.43Å; V283-Y285 VanDerWaalsContact C-N 3.3Å; V283-Y285 PolarHBondContact O-N 3.47Å; V283-L286 PolarHBondContact O-N 3.15Å; V283-R287 VanDerWaalsContact O-CB 3.32Å; V283-R287 WeakPolarHBondContact O-CB 3.4Å; V283-R287 PolarHBondContact O-N 3.25Å; V283-F295 HydrophobicContact CG1-CE2 3.86Å; V283-F295 HydrophobicContact CG1-CZ 3.55Å; V283-F295 WeakPolarHBondContact O-CE2 3.41Å; V283-F299 HydrophobicContact CG1-CD2 3.76Å; V283-F299 HydrophobicContact CG1-CE2 3.64Å; V283-F299 HydrophobicContact CG2-CD2 4.16Å; V283-F299 HydrophobicContact CG2-CE2 4.17Å |
| 284 | D | 82.8 | Confident | 84.9 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 35% | 0.348 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 176.7 | -73.2 | -27.8 | 0 | 0 | 0 | 111.7 | H280 A281 R287 S288 | H280-D284 IonicContact CE1-OD1 3.46Å; H280-D284 IonicContact CE1-OD2 3.74Å; H280-D284 PolarHBondContact CE1-OD2 2.95Å; H280-D284 IonicContact ND1-OD1 2.67Å; H280-D284 IonicContact ND1-OD2 3.95Å; H280-D284 PolarHBondContact ND1-OD2 3.33Å; H280-D284 PolarHBondContact O-N 3.33Å; A281-D284 PolarHBondContact O-N 2.71Å; D284-R287 PolarHBondContact O-N 3.07Å; D284-S288 PolarHBondContact O-N 3.47Å; D284-S288 VanDerWaalsContact O-N 3.1Å |
| 285 | Y | 86.5 | Confident | 84.4 | Confident | 136 Ų | 136 | 79.6 Ų | 79.6 | 53% | 0.533 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.9 | -49 | 173.8 | 175.9 | -98.4 | 0 | 0 | 0 | 111.9 | A281 F282 V283 R287 S288 K289 | A281-Y285 WeakPolarHBondContact O-CB 3.32Å; A281-Y285 PolarHBondContact O-N 3.44Å; F282-Y285 WeakPolarHBondContact O-CB 3.44Å; F282-Y285 PolarHBondContact O-N 2.9Å; V283-Y285 VanDerWaalsContact C-N 3.3Å; V283-Y285 PolarHBondContact O-N 3.47Å; Y285-R287 VanDerWaalsContact C-N 3.34Å; Y285-R287 PolarHBondContact O-N 3.41Å; Y285-S288 WeakPolarHBondContact O-CB 3.28Å; Y285-S288 PolarHBondContact O-N 2.87Å; Y285-S288 VanDerWaalsContact O-N 3.14Å; Y285-S288 PolarHBondContact O-OG 3.39Å; Y285-K289 HydrophobicContact CE1-CG 4.46Å; Y285-K289 PolarHBondContact O-N 3.49Å |
| 286 | L | 85.8 | Confident | 83.9 | Confident | 33 Ų | 33 | 83 Ų | 83 | 17% | 0.173 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 177.3 | -74.2 | 177.3 | 0 | 0 | 0 | 112 | F282 V283 S288 K289 L290 F295 L298 | F282-L286 HydrophobicContact CD1-CD1 3.78Å; F282-L286 HydrophobicContact CD1-CG 4.36Å; F282-L286 HydrophobicContact CE1-CD1 3.33Å; F282-L286 HydrophobicContact CE1-CG 4.03Å; F282-L286 HydrophobicContact CE2-CG 4.37Å; F282-L286 HydrophobicContact CZ-CD1 3.75Å; F282-L286 HydrophobicContact CZ-CD2 4.18Å; F282-L286 HydrophobicContact CZ-CG 4.02Å; F282-L286 WeakPolarHBondContact O-CG 3.11Å; F282-L286 PolarHBondContact O-N 3.2Å; V283-L286 PolarHBondContact O-N 3.15Å; L286-S288 PolarHBondContact O-N 3.22Å; L286-K289 PolarHBondContact O-N 2.92Å; L286-L290 HydrophobicContact CB-CD1 4.2Å; L286-L290 HydrophobicContact CD2-CD1 4.26Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 PolarHBondContact O-N 3.27Å; L286-F295 HydrophobicContact CB-CE2 4.49Å; L286-L298 HydrophobicContact CD1-CD2 3.83Å |
| 287 | R | 82.3 | Confident | 83.4 | Confident | 167 Ų | 167 | 84.5 Ų | 84.5 | 63% | 0.63 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.1 | -32.8 | 175.7 | -167.6 | 177.8 | 179 | -178.2 | 1.2 | 112 | V283 D284 Y285 K289 F295 | V283-R287 VanDerWaalsContact O-CB 3.32Å; V283-R287 WeakPolarHBondContact O-CB 3.4Å; V283-R287 PolarHBondContact O-N 3.25Å; D284-R287 PolarHBondContact O-N 3.07Å; Y285-R287 VanDerWaalsContact C-N 3.34Å; Y285-R287 PolarHBondContact O-N 3.41Å; R287-K289 VanDerWaalsContact C-N 3.3Å; R287-F295 HydrophobicContact CB-CD2 3.94Å; R287-F295 HydrophobicContact CB-CE1 4.42Å; R287-F295 HydrophobicContact CB-CE2 3.53Å; R287-F295 HydrophobicContact CB-CZ 3.79Å; R287-F295 HydrophobicContact CG-CD1 4.36Å; R287-F295 HydrophobicContact CG-CD2 4.34Å; R287-F295 HydrophobicContact CG-CE1 4.13Å; R287-F295 HydrophobicContact CG-CE2 4.11Å; R287-F295 HydrophobicContact CG-CG 4.45Å; R287-F295 HydrophobicContact CG-CZ 3.98Å |
| 288 | S | 85.4 | Confident | 82.9 | Confident | 85 Ų | 85 | 87.5 Ų | 87.5 | 59% | 0.594 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -74.5 | -17.3 | 176.5 | 80.8 | 0 | 0 | 0 | 0 | 114.1 | D284 Y285 L286 | D284-S288 PolarHBondContact O-N 3.47Å; D284-S288 VanDerWaalsContact O-N 3.1Å; Y285-S288 WeakPolarHBondContact O-CB 3.28Å; Y285-S288 PolarHBondContact O-N 2.87Å; Y285-S288 VanDerWaalsContact O-N 3.14Å; Y285-S288 PolarHBondContact O-OG 3.39Å; L286-S288 PolarHBondContact O-N 3.22Å |
| 289 | K | 86.7 | Confident | 82.3 | Confident | 147 Ų | 147 | 87.9 Ų | 87.9 | 64% | 0.639 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -109 | -23.5 | -175.1 | -65.9 | -61.7 | -176 | -178.2 | 0 | 114.3 | Y285 L286 R287 | Y285-K289 HydrophobicContact CE1-CG 4.46Å; Y285-K289 PolarHBondContact O-N 3.49Å; L286-K289 PolarHBondContact O-N 2.92Å; R287-K289 VanDerWaalsContact C-N 3.3Å |
| 290 | L | 83 | Confident | 81.8 | Confident | 56 Ų | 56 | 93.5 Ų | 93.5 | 29% | 0.293 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -106.6 | 152.8 | -173 | -68.4 | 166.9 | 0 | 0 | 0 | 112.4 | L286 F295 L298 | L286-L290 HydrophobicContact CB-CD1 4.2Å; L286-L290 HydrophobicContact CD2-CD1 4.26Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 PolarHBondContact O-N 3.27Å; L290-F295 HydrophobicContact CB-CB 4.4Å; L290-L298 HydrophobicContact CD1-CD2 3.61Å |
| 291 | N | 82.4 | Confident | 81.3 | Confident | 118 Ų | 118 | 93.3 Ų | 93.3 | 63% | 0.631 | 46% | 0.459 | S | S | * | . | trans | -67 | 146.6 | 169.2 | -84.6 | -11.2 | 0 | 0 | 0 | 110.7 | Q293 Q294 F295 | N291-Q293 VanDerWaalsContact C-N 3.26Å; N291-Q293 PolarHBondContact O-N 3.21Å; N291-Q293 VanDerWaalsContact O-N 3.1Å; N291-Q294 PolarHBondContact O-N 3.05Å; N291-F295 PolarHBondContact O-N 3.12Å | ||
| 292 | P | 80.3 | Confident | 80.8 | Confident | 103 Ų | 103 | 93.8 Ų | 93.8 | 67% | 0.669 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -54.6 | -36.5 | -173.2 | -27.1 | 33.7 | 0 | 0 | 0 | 114.7 | F295 E296 | P292-F295 PolarHBondContact O-N 2.98Å; P292-E296 PolarHBondContact O-N 3.23Å |
| 293 | Q | 76.9 | Confident | 80.2 | Confident | 166 Ų | 166 | 92.2 Ų | 92.2 | 78% | 0.776 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.5 | -40.3 | 180 | -67.3 | 177.4 | -10.7 | 0 | 0 | 112.7 | N291 F295 | N291-Q293 VanDerWaalsContact C-N 3.26Å; N291-Q293 PolarHBondContact O-N 3.21Å; N291-Q293 VanDerWaalsContact O-N 3.1Å; Q293-F295 VanDerWaalsContact C-N 3.33Å |
| 294 | Q | 77 | Confident | 79.7 | Confident | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.1 | -36.1 | 175.7 | -69.7 | 175.6 | -28.4 | 0 | 0 | 110.9 | N291 L298 | N291-Q294 PolarHBondContact O-N 3.05Å; Q294-L298 WeakPolarHBondContact O-CB 3.3Å; Q294-L298 PolarHBondContact O-N 2.99Å; Q294-L298 VanDerWaalsContact O-N 3.1Å |
| 295 | F | 81.7 | Confident | 79.5 | Confident | 29 Ų | 29 | 97.1 Ų | 97.1 | 13% | 0.127 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 177.3 | 177.7 | -98.7 | 0 | 0 | 0 | 112.3 | V283 L286 R287 L290 N291 P292 Q293 V297 L298 F299 | V283-F295 HydrophobicContact CG1-CE2 3.86Å; V283-F295 HydrophobicContact CG1-CZ 3.55Å; V283-F295 WeakPolarHBondContact O-CE2 3.41Å; L286-F295 HydrophobicContact CB-CE2 4.49Å; R287-F295 HydrophobicContact CB-CD2 3.94Å; R287-F295 HydrophobicContact CB-CE1 4.42Å; R287-F295 HydrophobicContact CB-CE2 3.53Å; R287-F295 HydrophobicContact CB-CZ 3.79Å; R287-F295 HydrophobicContact CG-CD1 4.36Å; R287-F295 HydrophobicContact CG-CD2 4.34Å; R287-F295 HydrophobicContact CG-CE1 4.13Å; R287-F295 HydrophobicContact CG-CE2 4.11Å; R287-F295 HydrophobicContact CG-CG 4.45Å; R287-F295 HydrophobicContact CG-CZ 3.98Å; L290-F295 HydrophobicContact CB-CB 4.4Å; N291-F295 PolarHBondContact O-N 3.12Å; P292-F295 PolarHBondContact O-N 2.98Å; Q293-F295 VanDerWaalsContact C-N 3.33Å; F295-V297 PolarHBondContact O-N 2.84Å; F295-L298 PolarHBondContact O-N 3.19Å; F295-F299 HydrophobicContact CE1-CB 4.28Å; F295-F299 HydrophobicContact CE1-CD2 4.45Å; F295-F299 HydrophobicContact CE1-CG 4.36Å; F295-F299 HydrophobicContact CZ-CB 4.37Å; F295-F299 HydrophobicContact CZ-CD2 4.03Å; F295-F299 HydrophobicContact CZ-CG 4.36Å; F295-F299 WeakPolarHBondContact O-CB 3.47Å; F295-F299 PolarHBondContact O-N 2.91Å |
| 296 | E | 79.6 | Confident | 79.1 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 48% | 0.477 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | -178.6 | -162.5 | -175.4 | 167.5 | 0 | 0 | 112.4 | P292 F299 R300 | P292-E296 PolarHBondContact O-N 3.23Å; E296-F299 PolarHBondContact O-N 3.42Å; E296-R300 WeakPolarHBondContact O-CG 3.24Å; E296-R300 PolarHBondContact O-N 3.42Å; E296-R300 IonicContact OE1-CZ 3.49Å; E296-R300 IonicContact OE1-NE 3.58Å; E296-R300 IonicContact OE1-NH2 2.74Å; E296-R300 PolarHBondContact OE1-NH2 3.08Å |
| 297 | V | 76.7 | Confident | 78.6 | Confident | 107 Ų | 107 | 92.5 Ų | 92.5 | 65% | 0.648 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.1 | -45.8 | 176.6 | 177.9 | 0 | 0 | 0 | 0 | 111 | F295 S301 | F295-V297 PolarHBondContact O-N 2.84Å; V297-S301 PolarHBondContact O-N 3.26Å; V297-S301 VanDerWaalsContact O-N 3.12Å; V297-S301 PolarHBondContact O-OG 2.77Å |
| 298 | L | 77.9 | Confident | 78.5 | Confident | 62 Ų | 62 | 91.1 Ų | 91.1 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 177.3 | -175.7 | 68 | 0 | 0 | 0 | 111.9 | L286 L290 Q294 F295 S301 V302 | L286-L298 HydrophobicContact CD1-CD2 3.83Å; L290-L298 HydrophobicContact CD1-CD2 3.61Å; Q294-L298 WeakPolarHBondContact O-CB 3.3Å; Q294-L298 PolarHBondContact O-N 2.99Å; Q294-L298 VanDerWaalsContact O-N 3.1Å; F295-L298 PolarHBondContact O-N 3.19Å; L298-S301 PolarHBondContact O-N 3.07Å; L298-S301 PolarHBondContact O-OG 2.85Å; L298-V302 HydrophobicContact CD1-CG2 4.09Å; L298-V302 HydrophobicContact CG-CG2 4.2Å; L298-V302 WeakPolarHBondContact O-CB 3.39Å; L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 3.09Å |
| 299 | F | 77.9 | Confident | 78.2 | Confident | 79 Ų | 79 | 90.3 Ų | 90.3 | 35% | 0.346 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | -179.5 | -177.9 | -108 | 0 | 0 | 0 | 111.4 | V283 F295 E296 I303 | V283-F299 HydrophobicContact CG1-CD2 3.76Å; V283-F299 HydrophobicContact CG1-CE2 3.64Å; V283-F299 HydrophobicContact CG2-CD2 4.16Å; V283-F299 HydrophobicContact CG2-CE2 4.17Å; F295-F299 HydrophobicContact CE1-CB 4.28Å; F295-F299 HydrophobicContact CE1-CD2 4.45Å; F295-F299 HydrophobicContact CE1-CG 4.36Å; F295-F299 HydrophobicContact CZ-CB 4.37Å; F295-F299 HydrophobicContact CZ-CD2 4.03Å; F295-F299 HydrophobicContact CZ-CG 4.36Å; F295-F299 WeakPolarHBondContact O-CB 3.47Å; F295-F299 PolarHBondContact O-N 2.91Å; E296-F299 PolarHBondContact O-N 3.42Å; F299-I303 HydrophobicContact CD1-CD1 3.83Å; F299-I303 HydrophobicContact CD2-CD1 3.97Å; F299-I303 HydrophobicContact CD2-CG1 4.41Å; F299-I303 HydrophobicContact CE1-CD1 3.31Å; F299-I303 HydrophobicContact CE2-CD1 3.45Å; F299-I303 VanDerWaalsContact CE2-CD1 3.45Å; F299-I303 HydrophobicContact CE2-CG1 4.2Å; F299-I303 HydrophobicContact CG-CD1 4.15Å; F299-I303 HydrophobicContact CZ-CD1 3.13Å; F299-I303 HydrophobicContact CZ-CG1 4.31Å; F299-I303 WeakPolarHBondContact O-CB 3.33Å; F299-I303 WeakPolarHBondContact O-CG1 3.49Å; F299-I303 PolarHBondContact O-N 3.45Å |
| 300 | R | 75.2 | Confident | 77.8 | Confident | 167 Ų | 167 | 88.2 Ų | 88.2 | 63% | 0.63 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 174.9 | -72.4 | -176.7 | -170.7 | -164.2 | 5.9 | 111.9 | E296 S304 | E296-R300 WeakPolarHBondContact O-CG 3.24Å; E296-R300 PolarHBondContact O-N 3.42Å; E296-R300 IonicContact OE1-CZ 3.49Å; E296-R300 IonicContact OE1-NE 3.58Å; E296-R300 IonicContact OE1-NH2 2.74Å; E296-R300 PolarHBondContact OE1-NH2 3.08Å; R300-S304 WeakPolarHBondContact O-CB 2.98Å; R300-S304 PolarHBondContact O-N 2.9Å; R300-S304 PolarHBondContact O-OG 3.04Å |
| 301 | S | 73.3 | Confident | 77.5 | Confident | 58 Ų | 58 | 91.8 Ų | 91.8 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 178.8 | 67 | 0 | 0 | 0 | 0 | 112 | V297 L298 S304 L305 | V297-S301 PolarHBondContact O-N 3.26Å; V297-S301 VanDerWaalsContact O-N 3.12Å; V297-S301 PolarHBondContact O-OG 2.77Å; L298-S301 PolarHBondContact O-N 3.07Å; L298-S301 PolarHBondContact O-OG 2.85Å; S301-S304 PolarHBondContact O-N 3.41Å; S301-S304 PolarHBondContact O-OG 2.94Å; S301-L305 WeakPolarHBondContact O-CB 3.49Å; S301-L305 PolarHBondContact O-N 3.31Å |
| 302 | V | 75.2 | Confident | 77.3 | Confident | 37 Ų | 37 | 88.4 Ų | 88.4 | 22% | 0.224 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 178.9 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | L298 S304 L305 V306 | L298-V302 HydrophobicContact CD1-CG2 4.09Å; L298-V302 HydrophobicContact CG-CG2 4.2Å; L298-V302 WeakPolarHBondContact O-CB 3.39Å; L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 3.09Å; V302-S304 VanDerWaalsContact C-N 3.35Å; V302-S304 PolarHBondContact O-N 3.41Å; V302-L305 PolarHBondContact O-N 3.3Å; V302-V306 HydrophobicContact CG1-CG2 4.01Å; V302-V306 VanDerWaalsContact O-CB 3.28Å; V302-V306 WeakPolarHBondContact O-CB 3.15Å; V302-V306 VanDerWaalsContact O-CG2 3.23Å; V302-V306 WeakPolarHBondContact O-CG2 3.48Å; V302-V306 PolarHBondContact O-N 3Å |
| 303 | I | 75.2 | Confident | 77.3 | Confident | 83 Ų | 83 | 86.8 Ų | 86.8 | 43% | 0.426 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.6 | -75.1 | -179.8 | 0 | 0 | 0 | 111.2 | F299 L305 G307 | F299-I303 HydrophobicContact CD1-CD1 3.83Å; F299-I303 HydrophobicContact CD2-CD1 3.97Å; F299-I303 HydrophobicContact CD2-CG1 4.41Å; F299-I303 HydrophobicContact CE1-CD1 3.31Å; F299-I303 HydrophobicContact CE2-CD1 3.45Å; F299-I303 VanDerWaalsContact CE2-CD1 3.45Å; F299-I303 HydrophobicContact CE2-CG1 4.2Å; F299-I303 HydrophobicContact CG-CD1 4.15Å; F299-I303 HydrophobicContact CZ-CD1 3.13Å; F299-I303 HydrophobicContact CZ-CG1 4.31Å; F299-I303 WeakPolarHBondContact O-CB 3.33Å; F299-I303 WeakPolarHBondContact O-CG1 3.49Å; F299-I303 PolarHBondContact O-N 3.45Å; I303-L305 VanDerWaalsContact C-N 3.34Å; I303-L305 PolarHBondContact O-N 3.37Å; I303-G307 WeakPolarHBondContact O-CA 3.42Å; I303-G307 PolarHBondContact O-N 3.47Å |
| 304 | S | 72.9 | Confident | 77.1 | Confident | 76 Ų | 76 | 80.6 Ų | 80.6 | 53% | 0.531 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 178.7 | 70.5 | 0 | 0 | 0 | 0 | 111.8 | R300 S301 V302 F308 | R300-S304 WeakPolarHBondContact O-CB 2.98Å; R300-S304 PolarHBondContact O-N 2.9Å; R300-S304 PolarHBondContact O-OG 3.04Å; S301-S304 PolarHBondContact O-N 3.41Å; S301-S304 PolarHBondContact O-OG 2.94Å; V302-S304 VanDerWaalsContact C-N 3.35Å; V302-S304 PolarHBondContact O-N 3.41Å; S304-F308 WeakPolarHBondContact O-CB 3.48Å; S304-F308 PolarHBondContact O-N 2.63Å |
| 305 | L | 78.1 | Confident | 76.9 | Confident | 111 Ų | 111 | 77.2 Ų | 77.2 | 58% | 0.581 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.6 | -49.4 | 178.6 | -177.1 | 69.7 | 0 | 0 | 0 | 111.4 | S301 V302 I303 F308 V309 | S301-L305 WeakPolarHBondContact O-CB 3.49Å; S301-L305 PolarHBondContact O-N 3.31Å; V302-L305 PolarHBondContact O-N 3.3Å; I303-L305 VanDerWaalsContact C-N 3.34Å; I303-L305 PolarHBondContact O-N 3.37Å; L305-F308 PolarHBondContact O-N 2.87Å; L305-V309 WeakPolarHBondContact O-CB 3.46Å; L305-V309 VanDerWaalsContact O-CG2 3.23Å; L305-V309 WeakPolarHBondContact O-CG2 3.16Å; L305-V309 PolarHBondContact O-N 2.97Å |
| 306 | V | 77.5 | Confident | 76.8 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 26% | 0.255 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | -179.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | I279 V302 V309 L310 | I279-V306 HydrophobicContact CD1-CG1 3.57Å; I279-V306 HydrophobicContact CG1-CG1 4.41Å; V302-V306 HydrophobicContact CG1-CG2 4.01Å; V302-V306 VanDerWaalsContact O-CB 3.28Å; V302-V306 WeakPolarHBondContact O-CB 3.15Å; V302-V306 VanDerWaalsContact O-CG2 3.23Å; V302-V306 WeakPolarHBondContact O-CG2 3.48Å; V302-V306 PolarHBondContact O-N 3Å; V306-V309 PolarHBondContact O-N 3.3Å; V306-L310 HydrophobicContact CG1-CD1 3.7Å; V306-L310 HydrophobicContact CG1-CG 4.19Å; V306-L310 VanDerWaalsContact O-CB 3.3Å; V306-L310 WeakPolarHBondContact O-CB 3.41Å; V306-L310 VanDerWaalsContact O-CG 3.25Å; V306-L310 WeakPolarHBondContact O-CG 3.37Å; V306-L310 PolarHBondContact O-N 3.42Å |
| 307 | G | 76.1 | Confident | 76.5 | Confident | 29 Ų | 29 | 79 Ų | 79 | 30% | 0.299 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | I303 L311 | I303-G307 WeakPolarHBondContact O-CA 3.42Å; I303-G307 PolarHBondContact O-N 3.47Å; G307-L311 VanDerWaalsContact O-CB 3.31Å; G307-L311 WeakPolarHBondContact O-CB 3.37Å; G307-L311 WeakPolarHBondContact O-CG 3.46Å; G307-L311 PolarHBondContact O-N 3.17Å |
| 308 | F | 79.2 | Confident | 76.2 | Confident | 138 Ų | 138 | 81.3 Ų | 81.3 | 61% | 0.605 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65 | -44.5 | 175.1 | -177.6 | -99 | 0 | 0 | 0 | 112.3 | S304 L305 L311 T312 | S304-F308 WeakPolarHBondContact O-CB 3.48Å; S304-F308 PolarHBondContact O-N 2.63Å; L305-F308 PolarHBondContact O-N 2.87Å; F308-L311 PolarHBondContact O-N 3.47Å; F308-T312 HydrophobicContact CD1-CG2 4.17Å; F308-T312 HydrophobicContact CD2-CG2 4.31Å; F308-T312 HydrophobicContact CE1-CG2 3.79Å; F308-T312 HydrophobicContact CE2-CG2 3.94Å; F308-T312 HydrophobicContact CG-CG2 4.42Å; F308-T312 HydrophobicContact CZ-CG2 3.67Å; F308-T312 WeakPolarHBondContact O-CB 3.27Å; F308-T312 VanDerWaalsContact O-CG2 3.29Å; F308-T312 WeakPolarHBondContact O-CG2 3.24Å; F308-T312 PolarHBondContact O-N 3.35Å; F308-T312 PolarHBondContact O-OG1 3.23Å |
| 309 | V | 80.4 | Confident | 76.1 | Confident | 69 Ų | 69 | 85.5 Ų | 85.5 | 42% | 0.418 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111 | L305 V306 T312 V313 | L305-V309 WeakPolarHBondContact O-CB 3.46Å; L305-V309 VanDerWaalsContact O-CG2 3.23Å; L305-V309 WeakPolarHBondContact O-CG2 3.16Å; L305-V309 PolarHBondContact O-N 2.97Å; V306-V309 PolarHBondContact O-N 3.3Å; V309-T312 WeakPolarHBondContact CA-OG1 3.29Å; V309-T312 PolarHBondContact O-N 3.32Å; V309-T312 PolarHBondContact O-OG1 3.11Å; V309-T312 VanDerWaalsContact O-OG1 3.05Å; V309-V313 HydrophobicContact CG1-CG2 4.08Å; V309-V313 WeakPolarHBondContact O-CB 3.34Å; V309-V313 WeakPolarHBondContact O-CG2 3.27Å; V309-V313 PolarHBondContact O-N 2.97Å |
| 310 | L | 77.6 | Confident | 76 | Confident | 103 Ų | 103 | 85.7 Ų | 85.7 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 177.9 | -74.3 | 171 | 0 | 0 | 0 | 111.9 | V306 G314 | V306-L310 HydrophobicContact CG1-CD1 3.7Å; V306-L310 HydrophobicContact CG1-CG 4.19Å; V306-L310 VanDerWaalsContact O-CB 3.3Å; V306-L310 WeakPolarHBondContact O-CB 3.41Å; V306-L310 VanDerWaalsContact O-CG 3.25Å; V306-L310 WeakPolarHBondContact O-CG 3.37Å; V306-L310 PolarHBondContact O-N 3.42Å; L310-G314 WeakPolarHBondContact O-CA 3.44Å; L310-G314 PolarHBondContact O-N 2.89Å |
| 311 | L | 77.3 | Confident | 75.9 | Confident | 130 Ų | 130 | 80.4 Ų | 80.4 | 68% | 0.681 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 175.8 | -84.1 | 162.7 | 0 | 0 | 0 | 111.8 | G307 F308 A315 | G307-L311 VanDerWaalsContact O-CB 3.31Å; G307-L311 WeakPolarHBondContact O-CB 3.37Å; G307-L311 WeakPolarHBondContact O-CG 3.46Å; G307-L311 PolarHBondContact O-N 3.17Å; F308-L311 PolarHBondContact O-N 3.47Å; L311-A315 WeakPolarHBondContact O-CB 3.22Å; L311-A315 PolarHBondContact O-N 2.9Å |
| 312 | T | 77.4 | Confident | 75.8 | Confident | 48 Ų | 48 | 85 Ų | 85 | 29% | 0.294 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68 | -46.5 | 179.8 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | F308 V309 A315 L316 | F308-T312 HydrophobicContact CD1-CG2 4.17Å; F308-T312 HydrophobicContact CD2-CG2 4.31Å; F308-T312 HydrophobicContact CE1-CG2 3.79Å; F308-T312 HydrophobicContact CE2-CG2 3.94Å; F308-T312 HydrophobicContact CG-CG2 4.42Å; F308-T312 HydrophobicContact CZ-CG2 3.67Å; F308-T312 WeakPolarHBondContact O-CB 3.27Å; F308-T312 VanDerWaalsContact O-CG2 3.29Å; F308-T312 WeakPolarHBondContact O-CG2 3.24Å; F308-T312 PolarHBondContact O-N 3.35Å; F308-T312 PolarHBondContact O-OG1 3.23Å; V309-T312 WeakPolarHBondContact CA-OG1 3.29Å; V309-T312 PolarHBondContact O-N 3.32Å; V309-T312 PolarHBondContact O-OG1 3.11Å; V309-T312 VanDerWaalsContact O-OG1 3.05Å; T312-A315 PolarHBondContact O-N 3.27Å; T312-L316 VanDerWaalsContact O-CB 3.26Å; T312-L316 WeakPolarHBondContact O-CB 3.41Å; T312-L316 WeakPolarHBondContact O-CD1 3.31Å; T312-L316 VanDerWaalsContact O-CG 3.31Å; T312-L316 WeakPolarHBondContact O-CG 3.28Å; T312-L316 PolarHBondContact O-N 3.03Å |
| 313 | V | 79.4 | Confident | 75.4 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | V309 L316 L317 | V309-V313 HydrophobicContact CG1-CG2 4.08Å; V309-V313 WeakPolarHBondContact O-CB 3.34Å; V309-V313 WeakPolarHBondContact O-CG2 3.27Å; V309-V313 PolarHBondContact O-N 2.97Å; V313-L316 PolarHBondContact O-N 2.73Å; V313-L317 HydrophobicContact CG1-CD1 3.62Å; V313-L317 HydrophobicContact CG1-CG 4.09Å; V313-L317 VanDerWaalsContact O-CB 3.3Å; V313-L317 WeakPolarHBondContact O-CB 3.35Å; V313-L317 WeakPolarHBondContact O-CG 3.48Å; V313-L317 PolarHBondContact O-N 3.37Å |
| 314 | G | 73.4 | Confident | 75 | Confident | 36 Ų | 36 | 83.5 Ų | 83.5 | 37% | 0.371 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L310 L317 M318 | L310-G314 WeakPolarHBondContact O-CA 3.44Å; L310-G314 PolarHBondContact O-N 2.89Å; G314-L317 PolarHBondContact O-N 2.99Å; G314-M318 WeakPolarHBondContact O-CB 3.41Å; G314-M318 PolarHBondContact O-N 3.47Å |
| 315 | A | 73.1 | Confident | 74.8 | Confident | 48 Ų | 48 | 85.1 Ų | 85.1 | 40% | 0.397 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L311 T312 M318 L319 | L311-A315 WeakPolarHBondContact O-CB 3.22Å; L311-A315 PolarHBondContact O-N 2.9Å; T312-A315 PolarHBondContact O-N 3.27Å; A315-M318 PolarHBondContact O-N 2.94Å; A315-L319 VanDerWaalsContact O-CB 3.27Å; A315-L319 WeakPolarHBondContact O-CB 3.39Å; A315-L319 WeakPolarHBondContact O-CG 3.42Å; A315-L319 PolarHBondContact O-N 3.4Å |
| 316 | L | 78.8 | Confident | 74.4 | Confident | 103 Ų | 103 | 85.7 Ų | 85.7 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176 | -83.1 | 161.4 | 0 | 0 | 0 | 112 | T312 V313 M318 L319 T320 | T312-L316 VanDerWaalsContact O-CB 3.26Å; T312-L316 WeakPolarHBondContact O-CB 3.41Å; T312-L316 WeakPolarHBondContact O-CD1 3.31Å; T312-L316 VanDerWaalsContact O-CG 3.31Å; T312-L316 WeakPolarHBondContact O-CG 3.28Å; T312-L316 PolarHBondContact O-N 3.03Å; V313-L316 PolarHBondContact O-N 2.73Å; L316-M318 VanDerWaalsContact C-N 3.33Å; L316-M318 PolarHBondContact O-N 2.9Å; L316-L319 PolarHBondContact O-N 3.46Å; L316-T320 VanDerWaalsContact O-CB 3.31Å; L316-T320 WeakPolarHBondContact O-CB 3.3Å; L316-T320 WeakPolarHBondContact O-CG2 3.27Å; L316-T320 PolarHBondContact O-N 2.92Å; L316-T320 PolarHBondContact O-OG1 3.09Å |
| 317 | L | 74.5 | Confident | 74.1 | Confident | 66 Ų | 66 | 86.8 Ų | 86.8 | 35% | 0.346 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.8 | -34.7 | 179.4 | -72 | 173.3 | 0 | 0 | 0 | 112.1 | V313 G314 T320 I323 | V313-L317 HydrophobicContact CG1-CD1 3.62Å; V313-L317 HydrophobicContact CG1-CG 4.09Å; V313-L317 VanDerWaalsContact O-CB 3.3Å; V313-L317 WeakPolarHBondContact O-CB 3.35Å; V313-L317 WeakPolarHBondContact O-CG 3.48Å; V313-L317 PolarHBondContact O-N 3.37Å; G314-L317 PolarHBondContact O-N 2.99Å; L317-T320 WeakPolarHBondContact CA-OG1 3.44Å; L317-T320 PolarHBondContact O-OG1 3.23Å; L317-I323 HydrophobicContact CB-CD1 3.57Å; L317-I323 HydrophobicContact CB-CG1 4.03Å; L317-I323 HydrophobicContact CD1-CD1 4.14Å; L317-I323 HydrophobicContact CG-CD1 4.44Å |
| 318 | M | 70.9 | Confident | 73.8 | Confident | 154 Ų | 154 | 86.4 Ų | 86.4 | 76% | 0.759 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.4 | -44 | 173.8 | -170.1 | 174.1 | -179.8 | 0 | 0 | 111.7 | G314 A315 L316 G321 | G314-M318 WeakPolarHBondContact O-CB 3.41Å; G314-M318 PolarHBondContact O-N 3.47Å; A315-M318 PolarHBondContact O-N 2.94Å; L316-M318 VanDerWaalsContact C-N 3.33Å; L316-M318 PolarHBondContact O-N 2.9Å; M318-G321 PolarHBondContact O-N 3.31Å |
| 319 | L | 74.8 | Confident | 73.2 | Confident | 151 Ų | 151 | 85 Ų | 85 | 79% | 0.791 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.3 | -34.3 | 179 | -73.5 | 169.4 | 0 | 0 | 0 | 112.9 | A315 L316 G321 | A315-L319 VanDerWaalsContact O-CB 3.27Å; A315-L319 WeakPolarHBondContact O-CB 3.39Å; A315-L319 WeakPolarHBondContact O-CG 3.42Å; A315-L319 PolarHBondContact O-N 3.4Å; L316-L319 PolarHBondContact O-N 3.46Å; L319-G321 PolarHBondContact O-N 3.48Å |
| 320 | T | 76.7 | Confident | 73 | Confident | 83 Ų | 83 | 84.5 Ų | 84.5 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -5.8 | 177.7 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | L316 L317 K322 | L316-T320 VanDerWaalsContact O-CB 3.31Å; L316-T320 WeakPolarHBondContact O-CB 3.3Å; L316-T320 WeakPolarHBondContact O-CG2 3.27Å; L316-T320 PolarHBondContact O-N 2.92Å; L316-T320 PolarHBondContact O-OG1 3.09Å; L317-T320 WeakPolarHBondContact CA-OG1 3.44Å; L317-T320 PolarHBondContact O-OG1 3.23Å; T320-K322 PolarHBondContact O-N 3.08Å; T320-K322 VanDerWaalsContact O-N 3.09Å |
| 321 | G | 72.5 | Confident | 73 | Confident | 55 Ų | 55 | 84.3 Ų | 84.3 | 57% | 0.567 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 9.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M318 L319 I323 | M318-G321 PolarHBondContact O-N 3.31Å; L319-G321 PolarHBondContact O-N 3.48Å; G321-I323 VanDerWaalsContact C-N 3.3Å |
| 322 | K | 70.6 | Confident | 73 | Confident | 154 Ų | 154 | 78.5 Ų | 78.5 | 67% | 0.67 | 43% | 0.433 | S | S | * | . | trans | -69.7 | -29.6 | 177.8 | -76.8 | -165.8 | 175.7 | -175.3 | 0 | 112.3 | T320 | T320-K322 PolarHBondContact O-N 3.08Å; T320-K322 VanDerWaalsContact O-N 3.09Å | ||
| 323 | I | 67.2 | Low | 73 | Confident | 40 Ų | 40 | 76.9 Ų | 76.9 | 21% | 0.205 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -88.6 | 115.6 | 168.2 | -62 | 176 | 0 | 0 | 0 | 107.3 | L263 M268 L317 G321 | L263-I323 WeakPolarHBondContact O-CA 3.24Å; M268-I323 HydrophobicContact SD-CD1 4.28Å; L317-I323 HydrophobicContact CB-CD1 3.57Å; L317-I323 HydrophobicContact CB-CG1 4.03Å; L317-I323 HydrophobicContact CD1-CD1 4.14Å; L317-I323 HydrophobicContact CG-CD1 4.44Å; G321-I323 VanDerWaalsContact C-N 3.3Å |
| 324 | S | 65.7 | Low | 73.2 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 136.9 | 176.9 | 62.8 | 0 | 0 | 0 | 0 | 109.7 | L263 S265 | L263-S324 PolarHBondContact O-N 2.78Å; L263-S324 PolarHBondContact O-OG 2.82Å; S265-S324 PolarHBondContact OG-O 3.21Å; S265-S324 VanDerWaalsContact OG-O 3.05Å |
| 325 | P | 70.7 | Confident | 73.5 | Confident | 110 Ų | 110 | 79.1 Ų | 79.1 | 71% | 0.714 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 161.1 | 172.5 | 26.9 | -34 | 0 | 0 | 0 | 110.4 | T327 | P325-T327 PolarHBondContact O-N 3.31Š|
| 326 | W | 68.9 | Low | 73.6 | Confident | 123 Ų | 123 | 80.5 Ų | 80.5 | 47% | 0.466 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -51 | 134.4 | 177.3 | -66.2 | 68.9 | 0 | 0 | 0 | 109.6 | S265 F330 L334 | S265-W326 PolarHBondContact OG-N 2.91Å; W326-F330 HydrophobicContact CE3-CB 4.11Å; W326-L334 HydrophobicContact CZ3-CD1 4.38Å |
| 327 | T | 71.3 | Confident | 73.6 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 41% | 0.405 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 147.6 | 176.7 | 64 | 0 | 0 | 0 | 0 | 109.6 | E266 P325 R329 F330 Y331 | E266-T327 WeakPolarHBondContact OE1-CG2 3.43Å; E266-T327 PolarHBondContact OE1-OG1 3.42Å; P325-T327 PolarHBondContact O-N 3.31Å; T327-R329 PolarHBondContact O-N 3.45Å; T327-F330 PolarHBondContact O-N 2.73Å; T327-F330 VanDerWaalsContact OG1-CD2 3.22Å; T327-F330 WeakPolarHBondContact OG1-CD2 3.4Å; T327-Y331 PolarHBondContact O-N 3.43Å |
| 328 | G | 68.6 | Low | 73.9 | Confident | 20 Ų | 20 | 79.1 Ų | 79.1 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -54.7 | -29.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | S332 | G328-S332 PolarHBondContact O-N 2.78Å; G328-S332 PolarHBondContact O-OG 2.95Å |
| 329 | R | 68.4 | Low | 73.9 | Confident | 110 Ų | 110 | 72.2 Ų | 72.2 | 42% | 0.415 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.4 | -36.7 | 176.6 | -174.4 | 179.3 | 176.7 | 177.2 | 2.1 | 113.7 | T327 S332 | T327-R329 PolarHBondContact O-N 3.45Å; R329-S332 PolarHBondContact O-OG 3.05Å |
| 330 | F | 74.3 | Confident | 73.8 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 25% | 0.254 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -80.3 | -32.3 | 174.1 | -72.4 | -75.3 | 0 | 0 | 0 | 111.3 | V213 E266 W326 T327 S332 L333 | V213-F330 HydrophobicContact CB-CE1 4.16Å; V213-F330 HydrophobicContact CB-CZ 3.83Å; V213-F330 HydrophobicContact CG1-CE1 3.83Å; V213-F330 HydrophobicContact CG1-CE2 4.45Å; V213-F330 HydrophobicContact CG1-CZ 3.77Å; V213-F330 HydrophobicContact CG2-CE2 4.45Å; V213-F330 HydrophobicContact CG2-CZ 3.92Å; E266-F330 VanDerWaalsContact CD-CE2 3.41Å; E266-F330 HydrophobicContact CG-CD2 4.1Å; E266-F330 HydrophobicContact CG-CE2 4.43Å; E266-F330 WeakPolarHBondContact OE1-CD2 3.47Å; E266-F330 WeakPolarHBondContact OE1-CE2 3.29Å; E266-F330 VanDerWaalsContact OE2-CE2 3.3Å; E266-F330 WeakPolarHBondContact OE2-CE2 3.4Å; W326-F330 HydrophobicContact CE3-CB 4.11Å; T327-F330 PolarHBondContact O-N 2.73Å; T327-F330 VanDerWaalsContact OG1-CD2 3.22Å; T327-F330 WeakPolarHBondContact OG1-CD2 3.4Å; F330-S332 VanDerWaalsContact C-N 3.27Å; F330-S332 PolarHBondContact O-N 3.31Å; F330-L333 HydrophobicContact CD1-CD1 3.95Å; F330-L333 WeakPolarHBondContact O-CB 3.18Å; F330-L333 PolarHBondContact O-N 3.18Å; F330-L333 VanDerWaalsContact O-N 3.1Å |
| 331 | Y | 78.5 | Confident | 73.8 | Confident | 98 Ų | 98 | 74.4 Ų | 74.4 | 38% | 0.384 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 172.9 | -165.5 | -98.2 | 0 | 0 | 0 | 111.4 | T327 L333 L334 D335 Y338 | T327-Y331 PolarHBondContact O-N 3.43Å; Y331-L333 PolarHBondContact O-N 3.02Å; Y331-L334 PolarHBondContact O-N 3.03Å; Y331-D335 HydrophobicContact CD1-CB 4.48Å; Y331-D335 HydrophobicContact CE1-CB 4.03Å; Y331-D335 PolarHBondContact O-N 3.08Å; Y331-Y338 AromaticContact CD1-CD1 3.75Å; Y331-Y338 HydrophobicContact CD1-CD1 3.75Å; Y331-Y338 AromaticContact CD1-CD2 3.68Å; Y331-Y338 HydrophobicContact CD1-CD2 3.68Å; Y331-Y338 HydrophobicContact CD1-CE1 4.25Å; Y331-Y338 HydrophobicContact CD1-CE2 4.18Å; Y331-Y338 AromaticContact CD1-CG 3.44Å; Y331-Y338 HydrophobicContact CD1-CG 3.44Å; Y331-Y338 VanDerWaalsContact CD1-CG 3.44Å; Y331-Y338 HydrophobicContact CE1-CD1 4.42Å; Y331-Y338 AromaticContact CE1-CD2 3.5Å; Y331-Y338 HydrophobicContact CE1-CD2 3.5Å; Y331-Y338 HydrophobicContact CE1-CE2 4.1Å; Y331-Y338 AromaticContact CE1-CG 3.69Å; Y331-Y338 HydrophobicContact CE1-CG 3.69Å |
| 332 | S | 76.6 | Confident | 74.1 | Confident | 8 Ų | 8 | 76.4 Ų | 76.4 | 6% | 0.056 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.9 | -17.4 | 175.6 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | G328 R329 F330 L334 D335 P336 | G328-S332 PolarHBondContact O-N 2.78Å; G328-S332 PolarHBondContact O-OG 2.95Å; R329-S332 PolarHBondContact O-OG 3.05Å; F330-S332 VanDerWaalsContact C-N 3.27Å; F330-S332 PolarHBondContact O-N 3.31Å; S332-L334 VanDerWaalsContact C-N 3.35Å; S332-D335 WeakPolarHBondContact CA-O 3.45Å; S332-D335 CarbonylContact O-C 3.58Å; S332-P336 WeakPolarHBondContact O-CA 3.21Å |
| 333 | L | 79.2 | Confident | 74.5 | Confident | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -77.9 | -23 | 173.1 | -65 | 173.2 | 0 | 0 | 0 | 112.6 | F330 Y331 F399 V402 M403 L406 | F330-L333 HydrophobicContact CD1-CD1 3.95Å; F330-L333 WeakPolarHBondContact O-CB 3.18Å; F330-L333 PolarHBondContact O-N 3.18Å; F330-L333 VanDerWaalsContact O-N 3.1Å; Y331-L333 PolarHBondContact O-N 3.02Å; L333-F399 HydrophobicContact CB-CD1 4.29Å; L333-F399 HydrophobicContact CB-CE1 4.1Å; L333-F399 HydrophobicContact CD1-CD1 4.19Å; L333-F399 HydrophobicContact CD1-CE1 4.16Å; L333-F399 HydrophobicContact CD2-CD1 4.41Å; L333-V402 HydrophobicContact CD2-CG1 4.21Å; L333-M403 HydrophobicContact CD2-CB 4.25Å; L333-M403 HydrophobicContact CD2-CE 3.71Å; L333-M403 HydrophobicContact CD2-SD 4.41Å; L333-L406 HydrophobicContact CD1-CD1 4.5Å; L333-L406 HydrophobicContact CD2-CD1 3.92Å |
| 334 | L | 81.7 | Confident | 75.2 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 51% | 0.508 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -91.9 | -43.5 | 174.7 | -65 | 175.3 | 0 | 0 | 0 | 111 | W326 Y331 S332 | W326-L334 HydrophobicContact CZ3-CD1 4.38Å; Y331-L334 PolarHBondContact O-N 3.03Å; S332-L334 VanDerWaalsContact C-N 3.35Å |
| 335 | D | 80.2 | Confident | 76.1 | Confident | 54 Ų | 54 | 68.1 Ų | 68.1 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | trans | -122.5 | 93.8 | 174.4 | -178.5 | 6.7 | 0 | 0 | 0 | 110.9 | Y331 S332 S337 Y338 | Y331-D335 HydrophobicContact CD1-CB 4.48Å; Y331-D335 HydrophobicContact CE1-CB 4.03Å; Y331-D335 PolarHBondContact O-N 3.08Å; S332-D335 WeakPolarHBondContact CA-O 3.45Å; S332-D335 CarbonylContact O-C 3.58Å; D335-S337 VanDerWaalsContact CG-OG 3.3Å; D335-S337 PolarHBondContact O-N 3.16Å; D335-S337 VanDerWaalsContact O-N 3.1Å; D335-S337 WeakPolarHBondContact OD1-CB 3.4Å; D335-S337 PolarHBondContact OD1-N 3.28Å; D335-S337 PolarHBondContact OD1-OG 3.44Å; D335-S337 PolarHBondContact OD2-OG 3.18Å; D335-Y338 WeakPolarHBondContact O-CB 3.35Å; D335-Y338 PolarHBondContact O-N 3.46Å; D335-Y338 VanDerWaalsContact O-N 3.16Å | ||
| 336 | P | 75.2 | Confident | 76.5 | Confident | 77 Ų | 77 | 64 Ų | 64 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.6 | -23.8 | 178.3 | -24.5 | 34.4 | 0 | 0 | 0 | 113.8 | S332 Y338 V402 | S332-P336 WeakPolarHBondContact O-CA 3.21Å; P336-Y338 VanDerWaalsContact C-N 3.32Å; P336-Y338 PolarHBondContact O-N 3.17Å; P336-V402 HydrophobicContact CG-CG1 3.96Å |
| 337 | S | 79.8 | Confident | 77.2 | Confident | 61 Ų | 61 | 58.8 Ų | 58.8 | 43% | 0.427 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -74.1 | -24.7 | -178 | 76.9 | 0 | 0 | 0 | 0 | 112.9 | D335 A339 K340 N341 | D335-S337 VanDerWaalsContact CG-OG 3.3Å; D335-S337 PolarHBondContact O-N 3.16Å; D335-S337 VanDerWaalsContact O-N 3.1Å; D335-S337 WeakPolarHBondContact OD1-CB 3.4Å; D335-S337 PolarHBondContact OD1-N 3.28Å; D335-S337 PolarHBondContact OD1-OG 3.44Å; D335-S337 PolarHBondContact OD2-OG 3.18Å; S337-A339 PolarHBondContact O-N 2.86Å; S337-K340 PolarHBondContact O-N 3.43Å; S337-N341 PolarHBondContact O-N 3.49Å; S337-N341 PolarHBondContact O-ND2 2.9Å |
| 338 | Y | 79.2 | Confident | 77.9 | Confident | 78 Ų | 78 | 56.7 Ų | 56.7 | 31% | 0.306 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | -178.7 | -175.1 | -93 | 0 | 0 | 0 | 112.8 | Y331 D335 P336 K340 N341 N342 I343 | Y331-Y338 AromaticContact CD1-CD1 3.75Å; Y331-Y338 HydrophobicContact CD1-CD1 3.75Å; Y331-Y338 AromaticContact CD1-CD2 3.68Å; Y331-Y338 HydrophobicContact CD1-CD2 3.68Å; Y331-Y338 HydrophobicContact CD1-CE1 4.25Å; Y331-Y338 HydrophobicContact CD1-CE2 4.18Å; Y331-Y338 AromaticContact CD1-CG 3.44Å; Y331-Y338 HydrophobicContact CD1-CG 3.44Å; Y331-Y338 VanDerWaalsContact CD1-CG 3.44Å; Y331-Y338 HydrophobicContact CE1-CD1 4.42Å; Y331-Y338 AromaticContact CE1-CD2 3.5Å; Y331-Y338 HydrophobicContact CE1-CD2 3.5Å; Y331-Y338 HydrophobicContact CE1-CE2 4.1Å; Y331-Y338 AromaticContact CE1-CG 3.69Å; Y331-Y338 HydrophobicContact CE1-CG 3.69Å; D335-Y338 WeakPolarHBondContact O-CB 3.35Å; D335-Y338 PolarHBondContact O-N 3.46Å; D335-Y338 VanDerWaalsContact O-N 3.16Å; P336-Y338 VanDerWaalsContact C-N 3.32Å; P336-Y338 PolarHBondContact O-N 3.17Å; Y338-K340 PolarHBondContact O-N 3.02Å; Y338-N341 PolarHBondContact O-N 2.9Å; Y338-N342 WeakPolarHBondContact CD2-ND2 3.43Å; Y338-N342 HydrophobicContact CE1-CB 4.23Å; Y338-N342 HydrophobicContact CE2-CB 4.31Å; Y338-N342 WeakPolarHBondContact CE2-ND2 3.49Å; Y338-N342 WeakPolarHBondContact O-CB 3.44Å; Y338-N342 PolarHBondContact O-N 3.33Å; Y338-I343 HydrophobicContact CE1-CD1 4.06Å; Y338-I343 HydrophobicContact CE1-CG1 4.45Å |
| 339 | A | 72.4 | Confident | 78.6 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S337 N341 I343 I346 | S337-A339 PolarHBondContact O-N 2.86Å; A339-N341 VanDerWaalsContact C-N 3.32Å; A339-N341 PolarHBondContact O-N 3.22Å; A339-I343 CarbonylContact O-C 3.58Å; A339-I343 PolarHBondContact O-N 3.47Å; A339-I343 VanDerWaalsContact O-N 3.12Å; A339-I346 HydrophobicContact CB-CB 4.22Å; A339-I346 HydrophobicContact CB-CG2 3.9Å |
| 340 | K | 72.6 | Confident | 79.4 | Confident | 165 Ų | 165 | 56.6 Ų | 56.6 | 72% | 0.717 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | -179.2 | -174.5 | 177.1 | 177.4 | -179.1 | 0 | 112.4 | S337 Y338 | S337-K340 PolarHBondContact O-N 3.43Å; Y338-K340 PolarHBondContact O-N 3.02Å |
| 341 | N | 77.2 | Confident | 79.9 | Confident | 116 Ų | 116 | 55.1 Ų | 55.1 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -86 | -36.6 | -172.4 | -66 | -21 | 0 | 0 | 0 | 113.3 | S337 Y338 A339 | S337-N341 PolarHBondContact O-N 3.49Å; S337-N341 PolarHBondContact O-ND2 2.9Å; Y338-N341 PolarHBondContact O-N 2.9Å; A339-N341 VanDerWaalsContact C-N 3.32Å; A339-N341 PolarHBondContact O-N 3.22Å |
| 342 | N | 78.1 | Confident | 80.2 | Confident | 96 Ų | 96 | 52 Ų | 52 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -111.5 | -27.8 | -169.1 | -63.3 | -41 | 0 | 0 | 0 | 114 | Y338 | Y338-N342 WeakPolarHBondContact CD2-ND2 3.43Å; Y338-N342 HydrophobicContact CE1-CB 4.23Å; Y338-N342 HydrophobicContact CE2-CB 4.31Å; Y338-N342 WeakPolarHBondContact CE2-ND2 3.49Å; Y338-N342 WeakPolarHBondContact O-CB 3.44Å; Y338-N342 PolarHBondContact O-N 3.33Å |
| 343 | I | 78.6 | Confident | 80.7 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 21% | 0.205 | 30% | 0.302 | C | S | . | . | trans | -137.5 | 80.2 | -174 | -48.2 | 178.2 | 0 | 0 | 0 | 109.6 | Y338 A339 I345 I346 A347 | Y338-I343 HydrophobicContact CE1-CD1 4.06Å; Y338-I343 HydrophobicContact CE1-CG1 4.45Å; A339-I343 CarbonylContact O-C 3.58Å; A339-I343 PolarHBondContact O-N 3.47Å; A339-I343 VanDerWaalsContact O-N 3.12Å; I343-I345 PolarHBondContact O-N 2.97Å; I343-I346 HydrophobicContact CB-CD1 4.01Å; I343-I346 HydrophobicContact CB-CG1 4.25Å; I343-I346 HydrophobicContact CD1-CD1 3.91Å; I343-I346 HydrophobicContact CG2-CB 4.38Å; I343-I346 HydrophobicContact CG2-CD1 3.77Å; I343-I346 HydrophobicContact CG2-CG1 3.71Å; I343-I346 PolarHBondContact O-N 3.38Å; I343-A347 PolarHBondContact O-N 2.89Å | ||
| 344 | P | 82.5 | Confident | 81.1 | Confident | 22 Ų | 22 | 59 Ų | 59 | 14% | 0.143 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -25.9 | -174.8 | 22.4 | -33.2 | 0 | 0 | 0 | 113.2 | I346 A347 S348 W598 R601 I602 | P344-I346 VanDerWaalsContact C-N 3.34Å; P344-I346 PolarHBondContact O-N 2.89Å; P344-A347 CarbonylContact O-C 3.51Å; P344-A347 PolarHBondContact O-N 3.33Å; P344-S348 WeakPolarHBondContact O-CB 3.45Å; P344-S348 PolarHBondContact O-N 2.97Å; P344-S348 PolarHBondContact O-OG 3.15Å; P344-W598 HydrophobicContact CB-CZ3 4.42Å; P344-R601 HydrophobicContact CB-CB 4.37Å; P344-I602 HydrophobicContact CB-CG1 4.32Å; P344-I602 HydrophobicContact CG-CG1 4.24Å |
| 345 | I | 83.3 | Confident | 81.6 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 176 | -64.6 | 170.3 | 0 | 0 | 0 | 111.8 | I343 A347 S348 T546 N549 I602 | I343-I345 PolarHBondContact O-N 2.97Å; I345-A347 VanDerWaalsContact C-N 3.35Å; I345-S348 WeakPolarHBondContact CA-OG 3.38Å; I345-S348 PolarHBondContact O-N 3.46Å; I345-S348 PolarHBondContact O-OG 3.05Å; I345-T546 HydrophobicContact CG2-CG2 3.99Å; I345-N549 HydrophobicContact CD1-CB 3.61Å; I345-N549 WeakPolarHBondContact CD1-OD1 3.34Å; I345-I602 HydrophobicContact CD1-CG2 4.02Å; I345-I602 HydrophobicContact CG1-CD1 3.72Å; I345-I602 HydrophobicContact CG1-CG1 3.75Å; I345-I602 HydrophobicContact CG1-CG2 3.99Å |
| 346 | I | 80.8 | Confident | 82.2 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.5 | -39.9 | 177.3 | -62.7 | 174.7 | 0 | 0 | 0 | 109.4 | A339 I343 P344 S348 H352 | A339-I346 HydrophobicContact CB-CB 4.22Å; A339-I346 HydrophobicContact CB-CG2 3.9Å; I343-I346 HydrophobicContact CB-CD1 4.01Å; I343-I346 HydrophobicContact CB-CG1 4.25Å; I343-I346 HydrophobicContact CD1-CD1 3.91Å; I343-I346 HydrophobicContact CG2-CB 4.38Å; I343-I346 HydrophobicContact CG2-CD1 3.77Å; I343-I346 HydrophobicContact CG2-CG1 3.71Å; I343-I346 PolarHBondContact O-N 3.38Å; P344-I346 VanDerWaalsContact C-N 3.34Å; P344-I346 PolarHBondContact O-N 2.89Å; I346-S348 VanDerWaalsContact C-N 3.32Å; I346-S348 PolarHBondContact O-N 3.38Å; I346-H352 WeakPolarHBondContact O-CB 3.12Å; I346-H352 PolarHBondContact O-CD2 2.84Å; I346-H352 VanDerWaalsContact O-CD2 3.24Å |
| 347 | A | 83.9 | Confident | 83 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.9 | -24.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I343 P344 I345 V349 Q353 W598 | I343-A347 PolarHBondContact O-N 2.89Å; P344-A347 CarbonylContact O-C 3.51Å; P344-A347 PolarHBondContact O-N 3.33Å; I345-A347 VanDerWaalsContact C-N 3.35Å; A347-V349 VanDerWaalsContact C-N 3.31Å; A347-V349 PolarHBondContact O-N 3.33Å; A347-Q353 PolarHBondContact O-NE2 2.9Å; A347-W598 HydrophobicContact CB-CH2 4.02Å; A347-W598 HydrophobicContact CB-CZ3 4.22Å |
| 348 | S | 85 | Confident | 83.7 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 16% | 0.161 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.7 | -22.7 | -179.3 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | P344 I345 I346 S350 W598 | P344-S348 WeakPolarHBondContact O-CB 3.45Å; P344-S348 PolarHBondContact O-N 2.97Å; P344-S348 PolarHBondContact O-OG 3.15Å; I345-S348 WeakPolarHBondContact CA-OG 3.38Å; I345-S348 PolarHBondContact O-N 3.46Å; I345-S348 PolarHBondContact O-OG 3.05Å; I346-S348 VanDerWaalsContact C-N 3.32Å; I346-S348 PolarHBondContact O-N 3.38Å; S348-S350 PolarHBondContact O-N 3Å; S348-W598 VanDerWaalsContact CB-CE3 3.5Å |
| 349 | V | 84.3 | Confident | 84.3 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -76 | 121.6 | 179.9 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | A347 E351 H352 W526 | A347-V349 VanDerWaalsContact C-N 3.31Å; A347-V349 PolarHBondContact O-N 3.33Å; V349-E351 HydrophobicContact CG1-CB 3.89Å; V349-E351 HydrophobicContact CG1-CG 4.12Å; V349-E351 PolarHBondContact O-N 3.4Å; V349-E351 VanDerWaalsContact O-N 3.15Å; V349-H352 PolarHBondContact O-N 3.38Å; V349-W526 HydrophobicContact CG2-CH2 4.11Å |
| 350 | S | 84.9 | Confident | 85.3 | Confident | 94 Ų | 94 | 62 Ų | 62 | 66% | 0.657 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -58.1 | -30.1 | -179.8 | 58.2 | 0 | 0 | 0 | 0 | 113 | S348 H352 Q353 | S348-S350 PolarHBondContact O-N 3Å; S350-H352 PolarHBondContact O-N 3.37Å; S350-Q353 WeakPolarHBondContact O-CB 3.12Å; S350-Q353 WeakPolarHBondContact O-CG 3.49Å; S350-Q353 PolarHBondContact O-N 3.32Å |
| 351 | E | 84.3 | Confident | 86.3 | Confident | 27 Ų | 27 | 59.5 Ų | 59.5 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -66.6 | -22.4 | 177.7 | -59 | -174.6 | 175.3 | 0 | 0 | 114.3 | R160 V349 Q353 M403 R405 | R160-E351 IonicContact CZ-OE1 3.48Å; R160-E351 VanDerWaalsContact CZ-OE1 3.26Å; R160-E351 IonicContact NH1-OE1 3.71Å; R160-E351 PolarHBondContact NH1-OE1 3.34Å; R160-E351 IonicContact NH2-OE1 2.86Å; R160-E351 PolarHBondContact NH2-OE1 3.29Å; V349-E351 HydrophobicContact CG1-CB 3.89Å; V349-E351 HydrophobicContact CG1-CG 4.12Å; V349-E351 PolarHBondContact O-N 3.4Å; V349-E351 VanDerWaalsContact O-N 3.15Å; E351-Q353 VanDerWaalsContact C-N 3.35Å; E351-M403 WeakPolarHBondContact O-CG 3.49Å; E351-R405 HydrophobicContact CB-CB 4.15Å; E351-R405 PolarHBondContact O-N 3.27Å; E351-R405 WeakPolarHBondContact OE2-CD 3.4Å; E351-R405 IonicContact OE2-CZ 2.83Å; E351-R405 VanDerWaalsContact OE2-CZ 3.25Å; E351-R405 IonicContact OE2-NE 3.79Å; E351-R405 PolarHBondContact OE2-NE 3.14Å; E351-R405 IonicContact OE2-NH1 2.61Å; E351-R405 PolarHBondContact OE2-NH1 3.16Å |
| 352 | H | 85.1 | Confident | 87.1 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 15% | 0.153 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -89.6 | -0.5 | -179.4 | -68 | -25.5 | 0 | 0 | 0 | 113.7 | I346 V349 S350 M403 | I346-H352 WeakPolarHBondContact O-CB 3.12Å; I346-H352 PolarHBondContact O-CD2 2.84Å; I346-H352 VanDerWaalsContact O-CD2 3.24Å; V349-H352 PolarHBondContact O-N 3.38Å; S350-H352 PolarHBondContact O-N 3.37Å; H352-M403 HydrophobicContact CB-CE 4.17Å; H352-M403 WeakPolarHBondContact ND1-CE 3.44Å; H352-M403 PolarHBondContact ND1-SD 2.9Å |
| 353 | Q | 85.6 | Confident | 87.8 | Confident | 86 Ų | 86 | 53.2 Ų | 53.2 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -73.2 | 156 | 175.8 | -62.2 | -59.5 | -39.4 | 0 | 0 | 111.5 | A347 S350 E351 M403 V404 | A347-Q353 PolarHBondContact O-NE2 2.9Å; S350-Q353 WeakPolarHBondContact O-CB 3.12Å; S350-Q353 WeakPolarHBondContact O-CG 3.49Å; S350-Q353 PolarHBondContact O-N 3.32Å; E351-Q353 VanDerWaalsContact C-N 3.35Å; Q353-M403 WeakPolarHBondContact O-CA 3.47Å; Q353-V404 WeakPolarHBondContact O-CG2 3.22Å; Q353-V404 PolarHBondContact O-N 3.06Å |
| 354 | P | 89.4 | Confident | 88.4 | Confident | 83 Ų | 83 | 51.3 Ų | 51.3 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 153.4 | 175.8 | 29.7 | -35.7 | 0 | 0 | 0 | 112.3 | V402 | P354-V402 WeakPolarHBondContact CA-O 3.17Š|
| 355 | T | 90.3 | Very high | 88.9 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 12% | 0.117 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 128.9 | -176.5 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | Y360 S400 A401 V404 | T355-Y360 HydrophobicContact CG2-CD2 3.82Å; T355-Y360 HydrophobicContact CG2-CE2 3.57Å; T355-S400 WeakPolarHBondContact CB-O 3.32Å; T355-S400 PolarHBondContact OG1-O 2.94Å; T355-A401 PolarHBondContact N-O 2.98Å; T355-V404 HydrophobicContact CG2-CG2 4.4Å; T355-V404 VanDerWaalsContact OG1-CA 3.24Å; T355-V404 WeakPolarHBondContact OG1-CA 3.42Å; T355-V404 WeakPolarHBondContact OG1-CG2 3.37Å; T355-V404 PolarHBondContact OG1-N 3.17Å |
| 356 | T | 92.9 | Very high | 89.3 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 153.9 | 173.1 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | S358 S359 Y360 | T356-S358 PolarHBondContact O-N 3.43Å; T356-S358 PolarHBondContact OG1-OG 3.48Å; T356-S359 WeakPolarHBondContact O-CB 3.34Å; T356-S359 PolarHBondContact O-N 3.41Å; T356-S359 PolarHBondContact OG1-OG 3.02Å; T356-Y360 WeakPolarHBondContact O-CD2 3.17Å; T356-Y360 PolarHBondContact O-N 2.66Å |
| 357 | W | 93.2 | Very high | 89.8 | Confident | 206 Ų | 206 | 50.2 Ų | 50.2 | 78% | 0.78 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.3 | -30.1 | 178.3 | 73.8 | -92.7 | 0 | 0 | 0 | 112.8 | S359 Y360 Y361 | W357-S359 VanDerWaalsContact C-N 3.31Å; W357-S359 PolarHBondContact O-N 2.96Å; W357-Y360 WeakPolarHBondContact O-CB 3.46Å; W357-Y360 PolarHBondContact O-N 2.83Å; W357-Y361 PolarHBondContact O-N 3.47Å |
| 358 | S | 93.3 | Very high | 90.3 | Very high | 58 Ų | 58 | 51.9 Ų | 51.9 | 41% | 0.406 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 176.2 | 41.3 | 0 | 0 | 0 | 0 | 112 | T356 Y361 F362 | T356-S358 PolarHBondContact O-N 3.43Å; T356-S358 PolarHBondContact OG1-OG 3.48Å; S358-Y361 PolarHBondContact O-N 3.15Å; S358-F362 VanDerWaalsContact O-CB 3.27Å; S358-F362 WeakPolarHBondContact O-CB 3.32Å; S358-F362 PolarHBondContact O-N 3.43Å |
| 359 | S | 92.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | T356 W357 Y361 F362 D363 | T356-S359 WeakPolarHBondContact O-CB 3.34Å; T356-S359 PolarHBondContact O-N 3.41Å; T356-S359 PolarHBondContact OG1-OG 3.02Å; W357-S359 VanDerWaalsContact C-N 3.31Å; W357-S359 PolarHBondContact O-N 2.96Å; S359-Y361 PolarHBondContact O-N 2.68Å; S359-F362 PolarHBondContact O-N 3.08Å; S359-D363 WeakPolarHBondContact O-CB 3.32Å; S359-D363 VanDerWaalsContact O-CG 3.28Å; S359-D363 PolarHBondContact O-N 3.38Å |
| 360 | Y | 93.1 | Very high | 91 | Very high | 42 Ų | 42 | 56.7 Ų | 56.7 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 173.9 | -77.6 | -83.3 | 0 | 0 | 0 | 112.7 | T355 T356 W357 L364 V368 S400 A401 M407 L410 | T355-Y360 HydrophobicContact CG2-CD2 3.82Å; T355-Y360 HydrophobicContact CG2-CE2 3.57Å; T356-Y360 WeakPolarHBondContact O-CD2 3.17Å; T356-Y360 PolarHBondContact O-N 2.66Å; W357-Y360 WeakPolarHBondContact O-CB 3.46Å; W357-Y360 PolarHBondContact O-N 2.83Å; Y360-L364 HydrophobicContact CD1-CD1 4.26Å; Y360-L364 VanDerWaalsContact O-CB 3.32Å; Y360-L364 WeakPolarHBondContact O-CB 3.4Å; Y360-L364 PolarHBondContact O-N 3.33Å; Y360-L364 VanDerWaalsContact O-N 3.12Å; Y360-V368 WeakPolarHBondContact O-CG2 3.33Å; Y360-S400 PolarHBondContact OH-O 3.45Å; Y360-S400 PolarHBondContact OH-OG 2.96Å; Y360-A401 VanDerWaalsContact OH-CA 3.25Å; Y360-A401 WeakPolarHBondContact OH-CA 3.39Å; Y360-A401 PolarHBondContact OH-N 2.88Å; Y360-M407 HydrophobicContact CD1-CE 3.44Å; Y360-M407 VanDerWaalsContact CD1-CE 3.44Å; Y360-M407 HydrophobicContact CD1-SD 4.28Å; Y360-M407 HydrophobicContact CE1-CE 3.88Å; Y360-M407 HydrophobicContact CE1-SD 4.25Å; Y360-M407 HydrophobicContact CG-CE 3.9Å; Y360-L410 HydrophobicContact CD1-CD2 4.21Å; Y360-L410 HydrophobicContact CE1-CD2 3.58Å |
| 361 | Y | 94 | Very high | 91.4 | Very high | 111 Ų | 111 | 52.8 Ų | 52.8 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 177.9 | -175 | -100.5 | 0 | 0 | 0 | 111.9 | W357 S358 S359 Q365 F369 | W357-Y361 PolarHBondContact O-N 3.47Å; S358-Y361 PolarHBondContact O-N 3.15Å; S359-Y361 PolarHBondContact O-N 2.68Å; Y361-Q365 HydrophobicContact CE2-CG 4.29Å; Y361-Q365 WeakPolarHBondContact O-CA 3.35Å; Y361-Q365 PolarHBondContact O-N 3.27Å; Y361-F369 HydrophobicContact CD2-CE2 4.41Å; Y361-F369 HydrophobicContact CE2-CE2 4.01Å; Y361-F369 HydrophobicContact CE2-CZ 4.45Å |
| 362 | F | 94 | Very high | 91.8 | Very high | 67 Ų | 67 | 55 Ų | 55 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 178.8 | -169.2 | -105 | 0 | 0 | 0 | 112.2 | S358 S359 H474 W477 V478 A482 Y483 | S358-F362 VanDerWaalsContact O-CB 3.27Å; S358-F362 WeakPolarHBondContact O-CB 3.32Å; S358-F362 PolarHBondContact O-N 3.43Å; S359-F362 PolarHBondContact O-N 3.08Å; F362-H474 PolarHBondContact O-NE2 2.98Å; F362-W477 HydrophobicContact CE2-CH2 4.42Å; F362-W477 HydrophobicContact CE2-CZ3 4.01Å; F362-V478 HydrophobicContact CD1-CG1 4.09Å; F362-V478 HydrophobicContact CD2-CG2 4.23Å; F362-V478 HydrophobicContact CE1-CB 4.45Å; F362-V478 HydrophobicContact CE1-CG1 3.42Å; F362-V478 VanDerWaalsContact CE1-CG1 3.42Å; F362-V478 HydrophobicContact CE1-CG2 4.26Å; F362-V478 HydrophobicContact CE2-CG1 4.39Å; F362-V478 HydrophobicContact CE2-CG2 3.77Å; F362-V478 HydrophobicContact CZ-CB 4.21Å; F362-V478 HydrophobicContact CZ-CG1 3.6Å; F362-V478 HydrophobicContact CZ-CG2 3.78Å; F362-A482 HydrophobicContact CE1-CB 4Å; F362-A482 HydrophobicContact CZ-CB 3.81Å; F362-Y483 HydrophobicContact CE1-CE2 4.42Å |
| 363 | D | 93.2 | Very high | 92.2 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -86.1 | -27 | -173.1 | -67.1 | -2.5 | 0 | 0 | 0 | 114.2 | P155 G156 S359 M407 Y483 | P155-D363 VanDerWaalsContact CD-O 3.31Å; P155-D363 WeakPolarHBondContact CD-O 3.44Å; G156-D363 PolarHBondContact N-O 3.23Å; S359-D363 WeakPolarHBondContact O-CB 3.32Å; S359-D363 VanDerWaalsContact O-CG 3.28Å; S359-D363 PolarHBondContact O-N 3.38Å; D363-M407 HydrophobicContact CB-CE 3.92Å; D363-Y483 PolarHBondContact OD1-OH 3.25Å |
| 364 | L | 91.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -124.9 | -23.3 | -168.3 | -61 | 175.3 | 0 | 0 | 0 | 113.8 | V154 Y360 L366 L367 V368 M407 L410 A411 M414 | V154-L364 HydrophobicContact CG2-CD2 3.91Å; Y360-L364 HydrophobicContact CD1-CD1 4.26Å; Y360-L364 VanDerWaalsContact O-CB 3.32Å; Y360-L364 WeakPolarHBondContact O-CB 3.4Å; Y360-L364 PolarHBondContact O-N 3.33Å; Y360-L364 VanDerWaalsContact O-N 3.12Å; L364-L366 PolarHBondContact O-N 3.32Å; L364-L367 HydrophobicContact CB-CB 4.17Å; L364-L367 HydrophobicContact CB-CD1 4.5Å; L364-L367 HydrophobicContact CD2-CD1 4.06Å; L364-L367 VanDerWaalsContact O-CB 3.29Å; L364-L367 WeakPolarHBondContact O-CB 3.29Å; L364-L367 VanDerWaalsContact O-CG 3.32Å; L364-L367 WeakPolarHBondContact O-CG 3.47Å; L364-L367 PolarHBondContact O-N 2.77Å; L364-V368 HydrophobicContact CB-CG2 3.69Å; L364-V368 HydrophobicContact CD1-CG2 4.42Å; L364-M407 HydrophobicContact CD1-CE 3.86Å; L364-M407 HydrophobicContact CD1-SD 3.91Å; L364-M407 HydrophobicContact CG-CE 4.14Å; L364-M407 HydrophobicContact CG-SD 4.34Å; L364-L410 HydrophobicContact CD1-CD2 4.21Å; L364-A411 HydrophobicContact CD2-CB 4.28Å; L364-M414 HydrophobicContact CD1-CE 3.88Å; L364-M414 HydrophobicContact CD1-CG 3.96Å; L364-M414 HydrophobicContact CD2-CB 4.36Å; L364-M414 HydrophobicContact CD2-CG 4.49Å |
| 365 | Q | 92.2 | Very high | 92.7 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.7 | -107.8 | 177.3 | -165.2 | -165.5 | 11.6 | 0 | 0 | 113.9 | Y361 L367 V368 Y471 H474 | Y361-Q365 HydrophobicContact CE2-CG 4.29Å; Y361-Q365 WeakPolarHBondContact O-CA 3.35Å; Y361-Q365 PolarHBondContact O-N 3.27Å; Q365-L367 PolarHBondContact O-N 3.08Å; Q365-V368 WeakPolarHBondContact O-CB 3.35Å; Q365-V368 PolarHBondContact O-N 2.94Å; Q365-Y471 HydrophobicContact CB-CD2 4.37Å; Q365-Y471 VanDerWaalsContact OE1-CA 3.26Å; Q365-H474 VanDerWaalsContact CD-CB 3.47Å; Q365-H474 VanDerWaalsContact CD-CG 3.43Å; Q365-H474 PolarHBondContact OE1-CD2 3.48Å |
| 366 | L | 91.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -33.2 | -178.4 | 177.9 | 63.3 | 0 | 0 | 0 | 112.6 | L364 V368 F369 M370 F467 L468 Y471 | L364-L366 PolarHBondContact O-N 3.32Å; L366-V368 PolarHBondContact O-N 2.81Å; L366-F369 PolarHBondContact O-N 3.22Å; L366-F369 VanDerWaalsContact O-N 3.15Å; L366-M370 HydrophobicContact CD1-CG 4.01Å; L366-M370 HydrophobicContact CG-CG 4.03Å; L366-M370 PolarHBondContact O-N 2.81Å; L366-M370 VanDerWaalsContact O-N 3.11Å; L366-F467 HydrophobicContact CD1-CB 3.97Å; L366-F467 HydrophobicContact CD1-CG 4.25Å; L366-F467 HydrophobicContact CD2-CB 3.99Å; L366-L468 HydrophobicContact CD2-CD2 4Å; L366-Y471 HydrophobicContact CB-CD2 4.18Å |
| 367 | L | 93.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -29 | -176.7 | -54 | 173.9 | 0 | 0 | 0 | 111.6 | M150 V154 L364 Q365 F369 M370 F371 M414 S418 Y471 | M150-L367 HydrophobicContact CB-CD2 4.39Å; M150-L367 HydrophobicContact CG-CD2 4.26Å; M150-L367 HydrophobicContact SD-CD2 3.72Å; V154-L367 HydrophobicContact CG2-CD1 3.81Å; L364-L367 HydrophobicContact CB-CB 4.17Å; L364-L367 HydrophobicContact CB-CD1 4.5Å; L364-L367 HydrophobicContact CD2-CD1 4.06Å; L364-L367 VanDerWaalsContact O-CB 3.29Å; L364-L367 WeakPolarHBondContact O-CB 3.29Å; L364-L367 VanDerWaalsContact O-CG 3.32Å; L364-L367 WeakPolarHBondContact O-CG 3.47Å; L364-L367 PolarHBondContact O-N 2.77Å; Q365-L367 PolarHBondContact O-N 3.08Å; L367-F369 VanDerWaalsContact C-N 3.28Å; L367-F369 PolarHBondContact O-N 3.45Å; L367-M370 PolarHBondContact O-N 3.45Å; L367-F371 WeakPolarHBondContact O-CB 3.39Å; L367-F371 PolarHBondContact O-N 2.67Å; L367-M414 HydrophobicContact CB-CB 4.38Å; L367-M414 WeakPolarHBondContact O-CE 3.34Å; L367-S418 WeakPolarHBondContact CA-OG 3.05Å; L367-S418 VanDerWaalsContact CD2-CB 3.45Å; L367-S418 PolarHBondContact O-OG 3.35Å; L367-Y471 HydrophobicContact CD1-CE2 4.22Å; L367-Y471 HydrophobicContact CG-CE2 4.09Å |
| 368 | V | 92.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 29% | 0.285 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.6 | -39.5 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | Y360 L364 Q365 L366 P372 | Y360-V368 WeakPolarHBondContact O-CG2 3.33Å; L364-V368 HydrophobicContact CB-CG2 3.69Å; L364-V368 HydrophobicContact CD1-CG2 4.42Å; Q365-V368 WeakPolarHBondContact O-CB 3.35Å; Q365-V368 PolarHBondContact O-N 2.94Å; L366-V368 PolarHBondContact O-N 2.81Å; V368-P372 VanDerWaalsContact O-CD 3.22Å; V368-P372 WeakPolarHBondContact O-CD 3.41Å |
| 369 | F | 92 | Very high | 92.6 | Very high | 126 Ų | 126 | 47.1 Ų | 47.1 | 55% | 0.553 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -83.5 | -33.5 | 179.9 | -58 | -68.5 | 0 | 0 | 0 | 113 | Y361 L366 L367 P372 | Y361-F369 HydrophobicContact CD2-CE2 4.41Å; Y361-F369 HydrophobicContact CE2-CE2 4.01Å; Y361-F369 HydrophobicContact CE2-CZ 4.45Å; L366-F369 PolarHBondContact O-N 3.22Å; L366-F369 VanDerWaalsContact O-N 3.15Å; L367-F369 VanDerWaalsContact C-N 3.28Å; L367-F369 PolarHBondContact O-N 3.45Å; F369-P372 WeakPolarHBondContact O-CD 3.3Å |
| 370 | M | 92.7 | Very high | 92.5 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -81.2 | -19.3 | -179.3 | -68.2 | -61.2 | 107.2 | 0 | 0 | 113.2 | L366 L367 V373 G374 V422 M464 | L366-M370 HydrophobicContact CD1-CG 4.01Å; L366-M370 HydrophobicContact CG-CG 4.03Å; L366-M370 PolarHBondContact O-N 2.81Å; L366-M370 VanDerWaalsContact O-N 3.11Å; L367-M370 PolarHBondContact O-N 3.45Å; M370-V373 WeakPolarHBondContact O-CB 3.23Å; M370-V373 PolarHBondContact O-N 3.36Å; M370-G374 PolarHBondContact O-N 3.24Å; M370-V422 HydrophobicContact CB-CG2 4.46Å; M370-V422 HydrophobicContact CG-CG2 3.93Å; M370-V422 HydrophobicContact SD-CG2 4.04Å; M370-M464 HydrophobicContact SD-CE 4.15Å |
| 371 | F | 92.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -49.9 | 178.8 | 167.6 | -101.2 | 0 | 0 | 0 | 113.7 | L367 V373 G374 L375 M397 M414 L417 S418 | L367-F371 WeakPolarHBondContact O-CB 3.39Å; L367-F371 PolarHBondContact O-N 2.67Å; F371-V373 PolarHBondContact O-N 3.03Å; F371-G374 PolarHBondContact O-N 3.21Å; F371-G374 VanDerWaalsContact O-N 3.14Å; F371-L375 HydrophobicContact CD1-CD1 4.03Å; F371-L375 HydrophobicContact CE1-CD1 3.44Å; F371-L375 VanDerWaalsContact CE1-CD1 3.44Å; F371-L375 HydrophobicContact CE1-CG 4.33Å; F371-L375 HydrophobicContact CE2-CD1 4.11Å; F371-L375 HydrophobicContact CE2-CG 4.24Å; F371-L375 HydrophobicContact CZ-CD1 3.51Å; F371-L375 HydrophobicContact CZ-CG 4.14Å; F371-L375 PolarHBondContact O-N 3.49Å; F371-M397 HydrophobicContact CE1-CE 4.47Å; F371-M397 HydrophobicContact CE1-SD 3.93Å; F371-M397 HydrophobicContact CZ-SD 4.47Å; F371-M414 HydrophobicContact CB-CE 3.38Å; F371-M414 HydrophobicContact CB-SD 3.64Å; F371-M414 HydrophobicContact CD1-CE 4.16Å; F371-M414 HydrophobicContact CD1-SD 3.84Å; F371-M414 HydrophobicContact CD2-CE 4.12Å; F371-M414 HydrophobicContact CD2-CG 4.43Å; F371-M414 HydrophobicContact CD2-SD 3.13Å; F371-M414 WeakPolarHBondContact CD2-SD 3.31Å; F371-M414 HydrophobicContact CE1-SD 4.2Å; F371-M414 HydrophobicContact CE2-SD 3.52Å; F371-M414 VanDerWaalsContact CE2-SD 3.52Å; F371-M414 HydrophobicContact CG-CE 3.67Å; F371-M414 HydrophobicContact CG-SD 3.28Å; F371-M414 WeakPolarHBondContact CG-SD 3.35Å; F371-M414 HydrophobicContact CZ-SD 4.04Å; F371-L417 HydrophobicContact CD2-CB 3.96Å; F371-L417 HydrophobicContact CD2-CD1 3.57Å; F371-L417 HydrophobicContact CD2-CG 4.43Å; F371-L417 HydrophobicContact CE2-CD1 3.3Å; F371-L417 HydrophobicContact CZ-CD1 4.33Å; F371-S418 PolarHBondContact N-OG 3.41Å |
| 372 | P | 93.8 | Very high | 92.1 | Very high | 73 Ų | 73 | 49.6 Ų | 49.6 | 47% | 0.474 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.8 | -35.6 | 174.7 | -24.9 | 34.8 | 0 | 0 | 0 | 112.9 | V368 F369 L375 Y376 | V368-P372 VanDerWaalsContact O-CD 3.22Å; V368-P372 WeakPolarHBondContact O-CD 3.41Å; F369-P372 WeakPolarHBondContact O-CD 3.3Å; P372-L375 PolarHBondContact O-N 3.25Å; P372-Y376 WeakPolarHBondContact O-CB 3.22Å; P372-Y376 PolarHBondContact O-N 2.99Å |
| 373 | V | 92.8 | Very high | 91.9 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -45.1 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 110.6 | M370 F371 Y376 Y377 | M370-V373 WeakPolarHBondContact O-CB 3.23Å; M370-V373 PolarHBondContact O-N 3.36Å; F371-V373 PolarHBondContact O-N 3.03Å; V373-Y376 PolarHBondContact O-N 3.46Å; V373-Y377 HydrophobicContact CG1-CD2 3.96Å; V373-Y377 HydrophobicContact CG1-CE2 3.59Å; V373-Y377 WeakPolarHBondContact O-CD2 3.33Å; V373-Y377 PolarHBondContact O-N 3.47Å |
| 374 | G | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M370 F371 Y377 C378 L417 | M370-G374 PolarHBondContact O-N 3.24Å; F371-G374 PolarHBondContact O-N 3.21Å; F371-G374 VanDerWaalsContact O-N 3.14Å; G374-Y377 PolarHBondContact O-N 2.96Å; G374-C378 PolarHBondContact O-N 3.13Å; G374-C378 VanDerWaalsContact O-N 3.08Å; G374-C378 PolarHBondContact O-SG 2.68Å; G374-C378 VanDerWaalsContact O-SG 3.38Å; G374-L417 VanDerWaalsContact CA-O 3.26Å; G374-L417 WeakPolarHBondContact CA-O 3.37Å |
| 375 | L | 93 | Very high | 91.9 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 175.3 | -77.5 | 178 | 0 | 0 | 0 | 111.4 | F371 P372 Y377 C378 F379 I390 L417 | F371-L375 HydrophobicContact CD1-CD1 4.03Å; F371-L375 HydrophobicContact CE1-CD1 3.44Å; F371-L375 VanDerWaalsContact CE1-CD1 3.44Å; F371-L375 HydrophobicContact CE1-CG 4.33Å; F371-L375 HydrophobicContact CE2-CD1 4.11Å; F371-L375 HydrophobicContact CE2-CG 4.24Å; F371-L375 HydrophobicContact CZ-CD1 3.51Å; F371-L375 HydrophobicContact CZ-CG 4.14Å; F371-L375 PolarHBondContact O-N 3.49Å; P372-L375 PolarHBondContact O-N 3.25Å; L375-Y377 VanDerWaalsContact C-N 3.32Å; L375-Y377 PolarHBondContact O-N 3.11Å; L375-C378 WeakPolarHBondContact O-CB 3.25Å; L375-C378 PolarHBondContact O-N 3.37Å; L375-C378 VanDerWaalsContact O-N 3.07Å; L375-F379 HydrophobicContact CB-CD2 4.5Å; L375-F379 VanDerWaalsContact O-CD2 3.26Å; L375-F379 WeakPolarHBondContact O-CD2 3.45Å; L375-F379 PolarHBondContact O-N 2.98Å; L375-I390 HydrophobicContact CD2-CG1 4.28Å; L375-L417 HydrophobicContact CD2-CD1 3.55Å; L375-L417 HydrophobicContact CD2-CD2 4.11Å; L375-L417 HydrophobicContact CD2-CG 4.49Å; L375-L417 HydrophobicContact CG-CD1 3.95Å |
| 376 | Y | 94.1 | Very high | 91.9 | Very high | 154 Ų | 154 | 52 Ų | 52 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -56.1 | -44.6 | 179.7 | 177.8 | -97.5 | 0 | 0 | 0 | 112.4 | P372 V373 F379 S380 | P372-Y376 WeakPolarHBondContact O-CB 3.22Å; P372-Y376 PolarHBondContact O-N 2.99Å; V373-Y376 PolarHBondContact O-N 3.46Å; Y376-F379 PolarHBondContact O-N 3.03Å; Y376-S380 WeakPolarHBondContact O-CB 3.36Å; Y376-S380 PolarHBondContact O-N 3.19Å; Y376-S380 PolarHBondContact O-OG 2.99Å |
| 377 | Y | 91.3 | Very high | 92 | Very high | 69 Ų | 69 | 52 Ų | 52 | 27% | 0.271 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.4 | -32.7 | 176.8 | -73.2 | -59.6 | 0 | 0 | 0 | 113.5 | V373 G374 L375 S380 N381 Q424 | V373-Y377 HydrophobicContact CG1-CD2 3.96Å; V373-Y377 HydrophobicContact CG1-CE2 3.59Å; V373-Y377 WeakPolarHBondContact O-CD2 3.33Å; V373-Y377 PolarHBondContact O-N 3.47Å; G374-Y377 PolarHBondContact O-N 2.96Å; L375-Y377 VanDerWaalsContact C-N 3.32Å; L375-Y377 PolarHBondContact O-N 3.11Å; Y377-S380 PolarHBondContact O-N 3.48Å; Y377-N381 PolarHBondContact O-N 3.26Å; Y377-Q424 HydrophobicContact CD1-CG 3.74Å; Y377-Q424 HydrophobicContact CD2-CB 3.85Å; Y377-Q424 HydrophobicContact CD2-CG 3.83Å; Y377-Q424 HydrophobicContact CE1-CG 3.56Å; Y377-Q424 HydrophobicContact CE2-CB 3.79Å; Y377-Q424 HydrophobicContact CE2-CG 3.65Å; Y377-Q424 HydrophobicContact CG-CB 4.27Å; Y377-Q424 HydrophobicContact CG-CG 3.88Å |
| 378 | C | 90.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 172.3 | -73.9 | 0 | 0 | 0 | 0 | 111.8 | G374 L375 N381 I390 | G374-C378 PolarHBondContact O-N 3.13Å; G374-C378 VanDerWaalsContact O-N 3.08Å; G374-C378 PolarHBondContact O-SG 2.68Å; G374-C378 VanDerWaalsContact O-SG 3.38Å; L375-C378 WeakPolarHBondContact O-CB 3.25Å; L375-C378 PolarHBondContact O-N 3.37Å; L375-C378 VanDerWaalsContact O-N 3.07Å; C378-N381 CarbonylContact O-C 3.48Å; C378-I390 HydrophobicContact CB-CD1 3.97Å; C378-I390 HydrophobicContact CB-CG1 3.92Å |
| 379 | F | 92 | Very high | 92.2 | Very high | 109 Ų | 109 | 49.7 Ų | 49.7 | 48% | 0.478 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.6 | -36.8 | 174.1 | -85.9 | -73.5 | 0 | 0 | 0 | 112.8 | L375 Y376 N381 L382 I390 | L375-F379 HydrophobicContact CB-CD2 4.5Å; L375-F379 VanDerWaalsContact O-CD2 3.26Å; L375-F379 WeakPolarHBondContact O-CD2 3.45Å; L375-F379 PolarHBondContact O-N 2.98Å; Y376-F379 PolarHBondContact O-N 3.03Å; F379-N381 PolarHBondContact O-N 3.43Å; F379-L382 HydrophobicContact CD1-CD2 4.34Å; F379-L382 WeakPolarHBondContact O-CG 3.12Å; F379-I390 HydrophobicContact CD1-CD1 3.98Å; F379-I390 HydrophobicContact CD2-CD1 4.07Å; F379-I390 HydrophobicContact CD2-CG1 4.41Å; F379-I390 HydrophobicContact CE1-CD1 4.1Å; F379-I390 HydrophobicContact CE1-CG2 3.99Å; F379-I390 HydrophobicContact CE2-CD1 4.18Å; F379-I390 HydrophobicContact CE2-CG1 4.23Å; F379-I390 HydrophobicContact CE2-CG2 3.63Å; F379-I390 HydrophobicContact CG-CD1 3.98Å; F379-I390 HydrophobicContact CZ-CB 4.5Å; F379-I390 HydrophobicContact CZ-CD1 4.2Å; F379-I390 HydrophobicContact CZ-CG1 4.47Å; F379-I390 HydrophobicContact CZ-CG2 3.3Å |
| 380 | S | 90.3 | Very high | 92.3 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 43% | 0.427 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.1 | -28.6 | -179.6 | -62 | 0 | 0 | 0 | 0 | 112.7 | Y376 Y377 | Y376-S380 WeakPolarHBondContact O-CB 3.36Å; Y376-S380 PolarHBondContact O-N 3.19Å; Y376-S380 PolarHBondContact O-OG 2.99Å; Y377-S380 PolarHBondContact O-N 3.48Å |
| 381 | N | 87.8 | Confident | 92.4 | Very high | 99 Ų | 99 | 43.8 Ų | 43.8 | 53% | 0.529 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | 74.8 | -177.5 | -68.8 | -58.5 | 0 | 0 | 0 | 110.5 | Y377 C378 F379 S383 R386 | Y377-N381 PolarHBondContact O-N 3.26Å; C378-N381 CarbonylContact O-C 3.48Å; F379-N381 PolarHBondContact O-N 3.43Å; N381-S383 PolarHBondContact O-N 3.09Å; N381-R386 WeakPolarHBondContact O-CD 3.5Å; N381-R386 PolarHBondContact O-NH1 2.96Å |
| 382 | L | 89.6 | Confident | 92.5 | Very high | 82 Ų | 82 | 43.3 Ų | 43.3 | 43% | 0.429 | 22% | 0.221 | S | C | . | . | trans | -66.9 | 116.4 | -175.5 | -66.7 | 171.2 | 0 | 0 | 0 | 112.9 | R231 F379 I387 I390 | R231-L382 PolarHBondContact NH1-O 2.83Å; R231-L382 PolarHBondContact NH2-O 2.88Å; F379-L382 HydrophobicContact CD1-CD2 4.34Å; F379-L382 WeakPolarHBondContact O-CG 3.12Å; L382-I387 HydrophobicContact CD2-CG1 4.26Å; L382-I390 HydrophobicContact CD2-CD1 4.12Å | ||
| 383 | S | 90.9 | Very high | 92.5 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 29% | 0.287 | 20% | 0.198 | S | C | . | . | trans | -124 | 160.2 | 166.8 | 70.5 | 0 | 0 | 0 | 0 | 109.8 | N381 A385 R386 I387 | N381-S383 PolarHBondContact O-N 3.09Å; S383-A385 PolarHBondContact O-N 3.45Å; S383-R386 PolarHBondContact O-N 2.83Å; S383-R386 WeakPolarHBondContact OG-CD 3.46Å; S383-R386 WeakPolarHBondContact OG-CG 3.36Å; S383-R386 PolarHBondContact OG-N 2.77Å; S383-I387 WeakPolarHBondContact O-CG1 3.39Å; S383-I387 PolarHBondContact O-N 3.33Å | ||
| 384 | D | 91.5 | Very high | 92.6 | Very high | 51 Ų | 51 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -55.2 | -41.5 | -178 | -48.9 | -12 | 0 | 0 | 0 | 111 | V187 H222 L226 R231 R386 I387 F388 | V187-D384 HydrophobicContact CG1-CB 4.3Å; H222-D384 PolarHBondContact NE2-O 3.16Å; L226-D384 HydrophobicContact CD2-CB 4.01Å; R231-D384 IonicContact NH1-OD1 3.47Å; D384-R386 PolarHBondContact O-N 3.37Å; D384-I387 PolarHBondContact O-N 3.42Å; D384-F388 PolarHBondContact O-N 3.07Å |
| 385 | A | 92.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.9 | -33 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | L138 I184 S383 F388 I389 | L138-A385 HydrophobicContact CD2-CB 4.04Å; I184-A385 HydrophobicContact CG2-CB 3.67Å; S383-A385 PolarHBondContact O-N 3.45Å; A385-F388 WeakPolarHBondContact O-CB 3.33Å; A385-I389 PolarHBondContact O-N 2.9Å |
| 386 | R | 92.5 | Very high | 92.6 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 19% | 0.192 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.2 | -33.6 | 178.3 | -74.6 | 170.2 | -174.8 | 171.7 | 0.3 | 111.8 | L138 N381 S383 D384 F388 I389 I390 | L138-R386 PolarHBondContact O-NE 3.41Å; L138-R386 VanDerWaalsContact O-NE 3.15Å; L138-R386 PolarHBondContact O-NH2 2.67Å; L138-R386 VanDerWaalsContact O-NH2 3.16Å; N381-R386 WeakPolarHBondContact O-CD 3.5Å; N381-R386 PolarHBondContact O-NH1 2.96Å; S383-R386 PolarHBondContact O-N 2.83Å; S383-R386 WeakPolarHBondContact OG-CD 3.46Å; S383-R386 WeakPolarHBondContact OG-CG 3.36Å; S383-R386 PolarHBondContact OG-N 2.77Å; D384-R386 PolarHBondContact O-N 3.37Å; R386-F388 VanDerWaalsContact C-N 3.29Å; R386-F388 PolarHBondContact O-N 3.5Å; R386-I389 PolarHBondContact O-N 3.02Å; R386-I390 VanDerWaalsContact O-CG1 3.28Å; R386-I390 WeakPolarHBondContact O-CG1 3.37Å; R386-I390 PolarHBondContact O-N 2.9Å |
| 387 | I | 93.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 172.3 | -68.1 | 168.5 | 0 | 0 | 0 | 109.3 | V225 L226 L382 S383 D384 I389 I390 M391 | V225-I387 HydrophobicContact CG1-CG2 3.75Å; L226-I387 HydrophobicContact CD2-CD1 3.98Å; L382-I387 HydrophobicContact CD2-CG1 4.26Å; S383-I387 WeakPolarHBondContact O-CG1 3.39Å; S383-I387 PolarHBondContact O-N 3.33Å; D384-I387 PolarHBondContact O-N 3.42Å; I387-I389 PolarHBondContact O-N 3.49Å; I387-I390 PolarHBondContact O-N 3.48Å; I387-M391 HydrophobicContact CG2-CE 3.53Å; I387-M391 WeakPolarHBondContact O-CE 3.36Å; I387-M391 PolarHBondContact O-N 2.95Å |
| 388 | F | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.2 | -49.8 | 174.7 | -177.4 | -101.2 | 0 | 0 | 0 | 113.3 | Y180 W183 I184 L218 H222 D384 A385 R386 M391 Y392 | Y180-F388 AromaticContact CD1-CE1 3.9Å; Y180-F388 HydrophobicContact CD1-CE1 3.9Å; Y180-F388 HydrophobicContact CD1-CE2 4.45Å; Y180-F388 AromaticContact CD1-CZ 3.38Å; Y180-F388 HydrophobicContact CD1-CZ 3.38Å; Y180-F388 HydrophobicContact CD2-CE1 4.23Å; Y180-F388 HydrophobicContact CD2-CZ 4.33Å; Y180-F388 HydrophobicContact CE1-CE1 4.42Å; Y180-F388 AromaticContact CE1-CZ 3.61Å; Y180-F388 HydrophobicContact CE1-CZ 3.61Å; Y180-F388 AromaticContact CG-CE1 3.79Å; Y180-F388 HydrophobicContact CG-CE1 3.79Å; Y180-F388 AromaticContact CG-CZ 3.77Å; Y180-F388 HydrophobicContact CG-CZ 3.77Å; W183-F388 AromaticContact CD1-CD2 3.91Å; W183-F388 AromaticContact CD1-CE2 3.79Å; W183-F388 AromaticContact NE1-CD2 3.79Å; W183-F388 AromaticContact NE1-CE2 3.93Å; I184-F388 HydrophobicContact CD1-CD1 3.78Å; I184-F388 HydrophobicContact CD1-CE1 4.4Å; I184-F388 HydrophobicContact CG1-CD1 4.05Å; I184-F388 HydrophobicContact CG1-CG 4.49Å; L218-F388 HydrophobicContact CD2-CE2 4.07Å; L218-F388 HydrophobicContact CD2-CZ 3.87Å; L218-F388 HydrophobicContact CG-CE2 4.08Å; L218-F388 HydrophobicContact CG-CZ 4.39Å; H222-F388 HydrophobicContact CB-CD2 3.75Å; H222-F388 HydrophobicContact CB-CE2 4.38Å; H222-F388 AromaticContact CD2-CD2 3.95Å; H222-F388 AromaticContact CG-CD2 3.6Å; H222-F388 AromaticContact ND1-CD2 3.85Å; D384-F388 PolarHBondContact O-N 3.07Å; A385-F388 WeakPolarHBondContact O-CB 3.33Å; R386-F388 VanDerWaalsContact C-N 3.29Å; R386-F388 PolarHBondContact O-N 3.5Å; F388-M391 PolarHBondContact O-N 3.46Å; F388-Y392 WeakPolarHBondContact O-CB 3.38Å; F388-Y392 PolarHBondContact O-N 3.31Å |
| 389 | I | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.4 | -33.3 | -176.3 | -69.1 | -65.7 | 0 | 0 | 0 | 112.6 | L138 I184 A385 R386 I387 Y392 G393 V413 L417 | L138-I389 HydrophobicContact CD1-CB 4.46Å; L138-I389 HydrophobicContact CD1-CD1 4.04Å; L138-I389 HydrophobicContact CD1-CG1 3.59Å; L138-I389 HydrophobicContact CD1-CG2 4.44Å; L138-I389 HydrophobicContact CD2-CG1 3.57Å; L138-I389 HydrophobicContact CG-CG1 4.21Å; I184-I389 HydrophobicContact CD1-CD1 4.43Å; I184-I389 HydrophobicContact CD1-CG1 4.4Å; A385-I389 PolarHBondContact O-N 2.9Å; R386-I389 PolarHBondContact O-N 3.02Å; I387-I389 PolarHBondContact O-N 3.49Å; I389-Y392 HydrophobicContact CD1-CD1 4.14Å; I389-Y392 PolarHBondContact O-N 3.44Å; I389-G393 PolarHBondContact O-N 2.84Å; I389-V413 HydrophobicContact CG2-CG2 4.46Å; I389-L417 HydrophobicContact CG2-CD1 4.28Å; I389-L417 HydrophobicContact CG2-CD2 3.73Å; I389-L417 HydrophobicContact CG2-CG 3.91Å |
| 390 | I | 94.6 | Very high | 92.6 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -48.4 | 172.1 | -70.9 | 164.6 | 0 | 0 | 0 | 109.7 | L375 C378 F379 L382 R386 I387 Y392 G393 V394 | L375-I390 HydrophobicContact CD2-CG1 4.28Å; C378-I390 HydrophobicContact CB-CD1 3.97Å; C378-I390 HydrophobicContact CB-CG1 3.92Å; F379-I390 HydrophobicContact CD1-CD1 3.98Å; F379-I390 HydrophobicContact CD2-CD1 4.07Å; F379-I390 HydrophobicContact CD2-CG1 4.41Å; F379-I390 HydrophobicContact CE1-CD1 4.1Å; F379-I390 HydrophobicContact CE1-CG2 3.99Å; F379-I390 HydrophobicContact CE2-CD1 4.18Å; F379-I390 HydrophobicContact CE2-CG1 4.23Å; F379-I390 HydrophobicContact CE2-CG2 3.63Å; F379-I390 HydrophobicContact CG-CD1 3.98Å; F379-I390 HydrophobicContact CZ-CB 4.5Å; F379-I390 HydrophobicContact CZ-CD1 4.2Å; F379-I390 HydrophobicContact CZ-CG1 4.47Å; F379-I390 HydrophobicContact CZ-CG2 3.3Å; L382-I390 HydrophobicContact CD2-CD1 4.12Å; R386-I390 VanDerWaalsContact O-CG1 3.28Å; R386-I390 WeakPolarHBondContact O-CG1 3.37Å; R386-I390 PolarHBondContact O-N 2.9Å; I387-I390 PolarHBondContact O-N 3.48Å; I390-Y392 PolarHBondContact O-N 2.95Å; I390-G393 PolarHBondContact O-N 3.21Å; I390-V394 WeakPolarHBondContact O-CG2 3.17Å; I390-V394 PolarHBondContact O-N 2.73Å |
| 391 | M | 94.1 | Very high | 92.6 | Very high | 21 Ų | 21 | 36.7 Ų | 36.7 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.5 | -78.6 | 178.8 | -69.3 | 0 | 0 | 111.6 | L218 L221 H222 V225 I387 F388 G393 V394 T395 | L218-M391 HydrophobicContact CD1-CB 4.18Å; L221-M391 HydrophobicContact CD2-SD 4.46Å; L221-M391 HydrophobicContact CG-SD 4.02Å; H222-M391 HydrophobicContact CB-CE 3.52Å; H222-M391 HydrophobicContact CB-SD 4.45Å; H222-M391 WeakPolarHBondContact CD2-CE 3.3Å; V225-M391 HydrophobicContact CB-CE 4.22Å; V225-M391 HydrophobicContact CB-SD 3.81Å; V225-M391 HydrophobicContact CG1-CE 4.5Å; V225-M391 HydrophobicContact CG1-SD 4.29Å; V225-M391 HydrophobicContact CG2-SD 3.5Å; V225-M391 WeakPolarHBondContact CG2-SD 3.49Å; I387-M391 HydrophobicContact CG2-CE 3.53Å; I387-M391 WeakPolarHBondContact O-CE 3.36Å; I387-M391 PolarHBondContact O-N 2.95Å; F388-M391 PolarHBondContact O-N 3.46Å; M391-G393 VanDerWaalsContact C-N 3.29Å; M391-G393 PolarHBondContact O-N 3.29Å; M391-V394 PolarHBondContact O-N 3.22Å; M391-T395 WeakPolarHBondContact O-CB 3.48Å; M391-T395 WeakPolarHBondContact O-CG2 3.4Å; M391-T395 PolarHBondContact O-N 3.22Å; M391-T395 PolarHBondContact O-OG1 2.82Å |
| 392 | Y | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.6 | -43.7 | 176.4 | -177.8 | -152.5 | 0 | 0 | 0 | 111.9 | M176 Y180 F214 L218 F388 I389 I390 T395 S396 V409 V413 | M176-Y392 WeakPolarHBondContact CE-OH 3.41Å; Y180-Y392 HydrophobicContact CD2-CD1 4.34Å; Y180-Y392 HydrophobicContact CD2-CE1 4.01Å; Y180-Y392 HydrophobicContact CE2-CD1 4.19Å; Y180-Y392 HydrophobicContact CE2-CD2 4.21Å; Y180-Y392 AromaticContact CE2-CE1 3.84Å; Y180-Y392 HydrophobicContact CE2-CE1 3.84Å; Y180-Y392 AromaticContact CE2-CE2 3.92Å; Y180-Y392 HydrophobicContact CE2-CE2 3.92Å; Y180-Y392 HydrophobicContact CE2-CG 4.37Å; Y180-Y392 AromaticContact CE2-CZ 3.73Å; F214-Y392 AromaticContact CE1-CD2 3.76Å; F214-Y392 HydrophobicContact CE1-CD2 3.76Å; F214-Y392 AromaticContact CE1-CE2 3.61Å; F214-Y392 HydrophobicContact CE1-CE2 3.61Å; F214-Y392 AromaticContact CZ-CD2 3.88Å; F214-Y392 HydrophobicContact CZ-CD2 3.88Å; F214-Y392 HydrophobicContact CZ-CE2 4.02Å; L218-Y392 HydrophobicContact CD2-CD2 3.81Å; L218-Y392 HydrophobicContact CD2-CG 4.05Å; F388-Y392 WeakPolarHBondContact O-CB 3.38Å; F388-Y392 PolarHBondContact O-N 3.31Å; I389-Y392 HydrophobicContact CD1-CD1 4.14Å; I389-Y392 PolarHBondContact O-N 3.44Å; I390-Y392 PolarHBondContact O-N 2.95Å; Y392-T395 PolarHBondContact O-OG1 3.04Å; Y392-S396 WeakPolarHBondContact CD2-OG 3.14Å; Y392-S396 WeakPolarHBondContact CE2-OG 3.29Å; Y392-S396 WeakPolarHBondContact O-CB 3.5Å; Y392-S396 PolarHBondContact O-N 3.42Å; Y392-S396 VanDerWaalsContact O-N 3.08Å; Y392-S396 PolarHBondContact O-OG 2.9Å; Y392-V409 HydrophobicContact CE2-CG1 4.04Å; Y392-V409 PolarHBondContact OH-O 2.99Å; Y392-V413 HydrophobicContact CD1-CB 3.65Å; Y392-V413 HydrophobicContact CD1-CG2 3.59Å; Y392-V413 HydrophobicContact CE1-CB 3.5Å; Y392-V413 VanDerWaalsContact CE1-CB 3.5Å; Y392-V413 HydrophobicContact CE1-CG1 4.36Å; Y392-V413 HydrophobicContact CE1-CG2 3.99Å; Y392-V413 HydrophobicContact CE2-CB 4.41Å; Y392-V413 HydrophobicContact CE2-CG1 4.46Å; Y392-V413 HydrophobicContact CG-CB 4.19Å; Y392-V413 HydrophobicContact CG-CG2 4.01Å |
| 393 | G | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.4 | -47.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I389 I390 M391 M397 | I389-G393 PolarHBondContact O-N 2.84Å; I390-G393 PolarHBondContact O-N 3.21Å; M391-G393 VanDerWaalsContact C-N 3.29Å; M391-G393 PolarHBondContact O-N 3.29Å; G393-M397 VanDerWaalsContact O-CB 3.25Å; G393-M397 WeakPolarHBondContact O-CB 3.49Å; G393-M397 PolarHBondContact O-N 3.15Å |
| 394 | V | 94.1 | Very high | 92.6 | Very high | 70 Ų | 70 | 30.2 Ų | 30.2 | 42% | 0.424 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -69.5 | -44 | -177 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | I390 M391 M397 Y398 | I390-V394 WeakPolarHBondContact O-CG2 3.17Å; I390-V394 PolarHBondContact O-N 2.73Å; M391-V394 PolarHBondContact O-N 3.22Å; V394-M397 PolarHBondContact O-N 3.22Å; V394-Y398 PolarHBondContact O-N 2.93Å; V394-Y398 VanDerWaalsContact O-N 3.17Å |
| 395 | T | 92.9 | Very high | 92.4 | Very high | 28 Ų | 28 | 30.1 Ų | 30.1 | 17% | 0.172 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.1 | -44.1 | 179.9 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | L218 L221 M391 Y392 M397 Y398 F399 | L218-T395 HydrophobicContact CD1-CG2 4.3Å; L221-T395 HydrophobicContact CD2-CG2 4.1Å; M391-T395 WeakPolarHBondContact O-CB 3.48Å; M391-T395 WeakPolarHBondContact O-CG2 3.4Å; M391-T395 PolarHBondContact O-N 3.22Å; M391-T395 PolarHBondContact O-OG1 2.82Å; Y392-T395 PolarHBondContact O-OG1 3.04Å; T395-M397 VanDerWaalsContact C-N 3.3Å; T395-M397 PolarHBondContact O-N 2.88Å; T395-Y398 PolarHBondContact O-N 3.17Å; T395-F399 WeakPolarHBondContact O-CD2 3.31Å; T395-F399 PolarHBondContact O-N 2.93Å |
| 396 | S | 93 | Very high | 92.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 177.9 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | F214 Y392 F399 S400 | F214-S396 WeakPolarHBondContact CZ-OG 3.37Å; Y392-S396 WeakPolarHBondContact CD2-OG 3.14Å; Y392-S396 WeakPolarHBondContact CE2-OG 3.29Å; Y392-S396 WeakPolarHBondContact O-CB 3.5Å; Y392-S396 PolarHBondContact O-N 3.42Å; Y392-S396 VanDerWaalsContact O-N 3.08Å; Y392-S396 PolarHBondContact O-OG 2.9Å; S396-F399 PolarHBondContact O-N 3.43Å; S396-S400 VanDerWaalsContact O-CB 3.3Å; S396-S400 WeakPolarHBondContact O-CB 3.38Å; S396-S400 PolarHBondContact O-N 3.41Å; S396-S400 PolarHBondContact O-OG 2.88Å |
| 397 | M | 93 | Very high | 92.2 | Very high | 80 Ų | 80 | 29.1 Ų | 29.1 | 39% | 0.394 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.9 | 179.9 | 173.9 | 54.9 | 0 | 0 | 111.2 | F371 G393 V394 T395 F399 S400 A401 L410 | F371-M397 HydrophobicContact CE1-CE 4.47Å; F371-M397 HydrophobicContact CE1-SD 3.93Å; F371-M397 HydrophobicContact CZ-SD 4.47Å; G393-M397 VanDerWaalsContact O-CB 3.25Å; G393-M397 WeakPolarHBondContact O-CB 3.49Å; G393-M397 PolarHBondContact O-N 3.15Å; V394-M397 PolarHBondContact O-N 3.22Å; T395-M397 VanDerWaalsContact C-N 3.3Å; T395-M397 PolarHBondContact O-N 2.88Å; M397-F399 PolarHBondContact O-N 3.47Å; M397-S400 PolarHBondContact O-N 3.46Å; M397-S400 PolarHBondContact O-OG 2.82Å; M397-A401 PolarHBondContact O-N 3.36Å; M397-A401 VanDerWaalsContact O-N 3.16Å; M397-L410 HydrophobicContact CB-CD1 4.31Å |
| 398 | Y | 92.7 | Very high | 92.2 | Very high | 116 Ų | 116 | 28.9 Ų | 28.9 | 46% | 0.455 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57.5 | -50.9 | 175.2 | 176.1 | -92.2 | 0 | 0 | 0 | 111.8 | V394 T395 S400 A401 V402 | V394-Y398 PolarHBondContact O-N 2.93Å; V394-Y398 VanDerWaalsContact O-N 3.17Å; T395-Y398 PolarHBondContact O-N 3.17Å; Y398-S400 PolarHBondContact O-N 3.02Å; Y398-A401 WeakPolarHBondContact O-CB 3.33Å; Y398-A401 PolarHBondContact O-N 3.49Å; Y398-A401 VanDerWaalsContact O-N 3.13Å; Y398-V402 HydrophobicContact CE1-CG2 4.17Å; Y398-V402 PolarHBondContact O-N 3.34Å |
| 399 | F | 91.3 | Very high | 92.1 | Very high | 54 Ų | 54 | 29.2 Ų | 29.2 | 24% | 0.237 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.1 | -37.3 | -178 | -75.8 | -57.5 | 0 | 0 | 0 | 113.3 | F214 L333 T395 S396 M397 A401 V402 M403 L406 | F214-F399 HydrophobicContact CD2-CD2 4.27Å; F214-F399 HydrophobicContact CD2-CE2 4.25Å; F214-F399 AromaticContact CE2-CD2 3.87Å; F214-F399 HydrophobicContact CE2-CD2 3.87Å; F214-F399 HydrophobicContact CE2-CE2 4.02Å; L333-F399 HydrophobicContact CB-CD1 4.29Å; L333-F399 HydrophobicContact CB-CE1 4.1Å; L333-F399 HydrophobicContact CD1-CD1 4.19Å; L333-F399 HydrophobicContact CD1-CE1 4.16Å; L333-F399 HydrophobicContact CD2-CD1 4.41Å; T395-F399 WeakPolarHBondContact O-CD2 3.31Å; T395-F399 PolarHBondContact O-N 2.93Å; S396-F399 PolarHBondContact O-N 3.43Å; M397-F399 PolarHBondContact O-N 3.47Å; F399-A401 VanDerWaalsContact C-N 3.25Å; F399-A401 PolarHBondContact O-N 3.43Å; F399-V402 PolarHBondContact O-N 3.38Å; F399-M403 PolarHBondContact O-N 3.07Å; F399-M403 VanDerWaalsContact O-N 3.09Å; F399-L406 HydrophobicContact CB-CB 4.45Å; F399-L406 HydrophobicContact CB-CD1 3.75Å; F399-L406 HydrophobicContact CD1-CD1 4.45Å; F399-L406 HydrophobicContact CG-CD1 4.39Å |
| 400 | S | 91.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.8 | -27.1 | 175 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | T355 Y360 S396 M397 Y398 L410 | T355-S400 WeakPolarHBondContact CB-O 3.32Å; T355-S400 PolarHBondContact OG1-O 2.94Å; Y360-S400 PolarHBondContact OH-O 3.45Å; Y360-S400 PolarHBondContact OH-OG 2.96Å; S396-S400 VanDerWaalsContact O-CB 3.3Å; S396-S400 WeakPolarHBondContact O-CB 3.38Å; S396-S400 PolarHBondContact O-N 3.41Å; S396-S400 PolarHBondContact O-OG 2.88Å; M397-S400 PolarHBondContact O-N 3.46Å; M397-S400 PolarHBondContact O-OG 2.82Å; Y398-S400 PolarHBondContact O-N 3.02Å; S400-L410 WeakPolarHBondContact OG-CD2 3.27Å |
| 401 | A | 90.2 | Very high | 92.1 | Very high | 46 Ų | 46 | 28.7 Ų | 28.7 | 38% | 0.38 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -73.8 | -36.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T355 Y360 M397 Y398 F399 | T355-A401 PolarHBondContact N-O 2.98Å; Y360-A401 VanDerWaalsContact OH-CA 3.25Å; Y360-A401 WeakPolarHBondContact OH-CA 3.39Å; Y360-A401 PolarHBondContact OH-N 2.88Å; M397-A401 PolarHBondContact O-N 3.36Å; M397-A401 VanDerWaalsContact O-N 3.16Å; Y398-A401 WeakPolarHBondContact O-CB 3.33Å; Y398-A401 PolarHBondContact O-N 3.49Å; Y398-A401 VanDerWaalsContact O-N 3.13Å; F399-A401 VanDerWaalsContact C-N 3.25Å; F399-A401 PolarHBondContact O-N 3.43Å |
| 402 | V | 88.7 | Confident | 92.1 | Very high | 25 Ų | 25 | 27.7 Ų | 27.7 | 15% | 0.152 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -74.8 | -34.5 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 112 | L333 P336 P354 Y398 F399 | L333-V402 HydrophobicContact CD2-CG1 4.21Å; P336-V402 HydrophobicContact CG-CG1 3.96Å; P354-V402 WeakPolarHBondContact CA-O 3.17Å; Y398-V402 HydrophobicContact CE1-CG2 4.17Å; Y398-V402 PolarHBondContact O-N 3.34Å; F399-V402 PolarHBondContact O-N 3.38Å |
| 403 | M | 89.1 | Confident | 92.1 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | trans | -140.8 | 122.4 | -172.9 | -177 | 173.1 | -64.3 | 0 | 0 | 112.4 | L333 E351 H352 Q353 F399 R405 L406 | L333-M403 HydrophobicContact CD2-CB 4.25Å; L333-M403 HydrophobicContact CD2-CE 3.71Å; L333-M403 HydrophobicContact CD2-SD 4.41Å; E351-M403 WeakPolarHBondContact O-CG 3.49Å; H352-M403 HydrophobicContact CB-CE 4.17Å; H352-M403 WeakPolarHBondContact ND1-CE 3.44Å; H352-M403 PolarHBondContact ND1-SD 2.9Å; Q353-M403 WeakPolarHBondContact O-CA 3.47Å; F399-M403 PolarHBondContact O-N 3.07Å; F399-M403 VanDerWaalsContact O-N 3.09Å; M403-R405 VanDerWaalsContact C-N 3.32Å; M403-R405 HydrophobicContact CG-CB 4.14Å; M403-R405 PolarHBondContact O-N 2.67Å; M403-R405 HydrophobicContact SD-CB 4.35Å; M403-L406 HydrophobicContact CB-CD1 4.02Å; M403-L406 HydrophobicContact CB-CG 4.12Å; M403-L406 HydrophobicContact CG-CD1 4.46Å; M403-L406 HydrophobicContact CG-CG 4.21Å; M403-L406 PolarHBondContact O-N 3.18Å; M403-L406 HydrophobicContact SD-CD1 4.21Å; M403-L406 HydrophobicContact SD-CG 4.11Å | ||
| 404 | V | 89.4 | Confident | 92.1 | Very high | 55 Ų | 55 | 28.1 Ų | 28.1 | 33% | 0.333 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -56.5 | -40.7 | 179.8 | 172.9 | 0 | 0 | 0 | 0 | 112.6 | Q353 T355 L406 M407 | Q353-V404 WeakPolarHBondContact O-CG2 3.22Å; Q353-V404 PolarHBondContact O-N 3.06Å; T355-V404 HydrophobicContact CG2-CG2 4.4Å; T355-V404 VanDerWaalsContact OG1-CA 3.24Å; T355-V404 WeakPolarHBondContact OG1-CA 3.42Å; T355-V404 WeakPolarHBondContact OG1-CG2 3.37Å; T355-V404 PolarHBondContact OG1-N 3.17Å; V404-L406 PolarHBondContact O-N 2.64Å; V404-L406 VanDerWaalsContact O-N 3.12Å; V404-M407 WeakPolarHBondContact O-CB 3.38Å; V404-M407 PolarHBondContact O-N 3.46Å; V404-M407 VanDerWaalsContact O-N 3.09Å |
| 405 | R | 88.3 | Confident | 92.2 | Very high | 48 Ų | 48 | 24.8 Ų | 24.8 | 18% | 0.181 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -56.2 | -31.4 | 178 | -159.9 | -174.7 | -179.8 | 143.5 | -2.3 | 113.3 | E169 E351 M403 M407 L408 | E169-R405 IonicContact OE1-CZ 2.77Å; E169-R405 VanDerWaalsContact OE1-CZ 3.28Å; E169-R405 IonicContact OE1-NE 3.61Å; E169-R405 PolarHBondContact OE1-NE 3.07Å; E169-R405 VanDerWaalsContact OE1-NE 3.08Å; E169-R405 IonicContact OE1-NH2 3.21Å; E169-R405 PolarHBondContact OE1-NH2 3.11Å; E169-R405 IonicContact OE2-NH2 2.61Å; E351-R405 HydrophobicContact CB-CB 4.15Å; E351-R405 PolarHBondContact O-N 3.27Å; E351-R405 WeakPolarHBondContact OE2-CD 3.4Å; E351-R405 IonicContact OE2-CZ 2.83Å; E351-R405 VanDerWaalsContact OE2-CZ 3.25Å; E351-R405 IonicContact OE2-NE 3.79Å; E351-R405 PolarHBondContact OE2-NE 3.14Å; E351-R405 IonicContact OE2-NH1 2.61Å; E351-R405 PolarHBondContact OE2-NH1 3.16Å; M403-R405 VanDerWaalsContact C-N 3.32Å; M403-R405 HydrophobicContact CG-CB 4.14Å; M403-R405 PolarHBondContact O-N 2.67Å; M403-R405 HydrophobicContact SD-CB 4.35Å; R405-M407 PolarHBondContact O-N 2.59Å; R405-L408 PolarHBondContact O-N 3.19Å |
| 406 | L | 90.1 | Very high | 92.3 | Very high | 30 Ų | 30 | 23.4 Ų | 23.4 | 16% | 0.157 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -79.7 | -2.1 | -175.7 | -62.5 | 179.3 | 0 | 0 | 0 | 113.3 | L333 F399 M403 V404 L408 V409 L410 | L333-L406 HydrophobicContact CD1-CD1 4.5Å; L333-L406 HydrophobicContact CD2-CD1 3.92Å; F399-L406 HydrophobicContact CB-CB 4.45Å; F399-L406 HydrophobicContact CB-CD1 3.75Å; F399-L406 HydrophobicContact CD1-CD1 4.45Å; F399-L406 HydrophobicContact CG-CD1 4.39Å; M403-L406 HydrophobicContact CB-CD1 4.02Å; M403-L406 HydrophobicContact CB-CG 4.12Å; M403-L406 HydrophobicContact CG-CD1 4.46Å; M403-L406 HydrophobicContact CG-CG 4.21Å; M403-L406 PolarHBondContact O-N 3.18Å; M403-L406 HydrophobicContact SD-CD1 4.21Å; M403-L406 HydrophobicContact SD-CG 4.11Å; V404-L406 PolarHBondContact O-N 2.64Å; V404-L406 VanDerWaalsContact O-N 3.12Å; L406-L408 PolarHBondContact O-N 2.95Å; L406-V409 HydrophobicContact CD2-CG2 4.4Å; L406-V409 PolarHBondContact O-N 3.22Å; L406-V409 VanDerWaalsContact O-N 3.09Å; L406-L410 PolarHBondContact O-N 3.46Å |
| 407 | M | 91.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.2 | -32.6 | 165.8 | -177.3 | 57.1 | 116.3 | 0 | 0 | 112.2 | Y360 D363 L364 V404 R405 V409 L410 A411 | Y360-M407 HydrophobicContact CD1-CE 3.44Å; Y360-M407 VanDerWaalsContact CD1-CE 3.44Å; Y360-M407 HydrophobicContact CD1-SD 4.28Å; Y360-M407 HydrophobicContact CE1-CE 3.88Å; Y360-M407 HydrophobicContact CE1-SD 4.25Å; Y360-M407 HydrophobicContact CG-CE 3.9Å; D363-M407 HydrophobicContact CB-CE 3.92Å; L364-M407 HydrophobicContact CD1-CE 3.86Å; L364-M407 HydrophobicContact CD1-SD 3.91Å; L364-M407 HydrophobicContact CG-CE 4.14Å; L364-M407 HydrophobicContact CG-SD 4.34Å; V404-M407 WeakPolarHBondContact O-CB 3.38Å; V404-M407 PolarHBondContact O-N 3.46Å; V404-M407 VanDerWaalsContact O-N 3.09Å; R405-M407 PolarHBondContact O-N 2.59Å; M407-V409 VanDerWaalsContact C-N 3.28Å; M407-V409 PolarHBondContact O-N 3.18Å; M407-L410 WeakPolarHBondContact O-CB 3.43Å; M407-L410 PolarHBondContact O-N 3.2Å; M407-L410 VanDerWaalsContact O-N 3.13Å; M407-L410 HydrophobicContact SD-CB 4.35Å; M407-L410 HydrophobicContact SD-CD2 3.89Å; M407-L410 HydrophobicContact SD-CG 4.5Å; M407-A411 PolarHBondContact O-N 3.1Å |
| 408 | L | 92.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.7 | -36.3 | 176.2 | -170 | 81.4 | 0 | 0 | 0 | 113 | Y157 R160 E169 I173 R405 L406 P412 | Y157-L408 HydrophobicContact CD2-CD1 3.87Å; R160-L408 HydrophobicContact CB-CD1 4.1Å; E169-L408 HydrophobicContact CB-CD2 3.62Å; E169-L408 HydrophobicContact CG-CD2 3.32Å; I173-L408 HydrophobicContact CD1-CD2 3.75Å; I173-L408 HydrophobicContact CD1-CG 3.76Å; I173-L408 HydrophobicContact CG1-CD1 4.44Å; I173-L408 HydrophobicContact CG1-CD2 3.83Å; I173-L408 HydrophobicContact CG1-CG 3.9Å; R405-L408 PolarHBondContact O-N 3.19Å; L406-L408 PolarHBondContact O-N 2.95Å; L408-P412 WeakPolarHBondContact O-CD 3.44Å |
| 409 | V | 92.9 | Very high | 92.6 | Very high | 8 Ų | 8 | 14 Ų | 14 | 5% | 0.048 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -77.4 | -31.3 | 178.1 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | M176 W209 F214 Y392 L406 M407 P412 | M176-V409 HydrophobicContact CE-CG1 4.33Å; M176-V409 HydrophobicContact SD-CG1 4.05Å; W209-V409 HydrophobicContact CH2-CG2 3.82Å; W209-V409 HydrophobicContact CZ3-CG2 4.15Å; F214-V409 HydrophobicContact CD1-CG1 4.05Å; F214-V409 HydrophobicContact CE1-CG1 3.74Å; F214-V409 HydrophobicContact CZ-CG1 4.14Å; Y392-V409 HydrophobicContact CE2-CG1 4.04Å; Y392-V409 PolarHBondContact OH-O 2.99Å; L406-V409 HydrophobicContact CD2-CG2 4.4Å; L406-V409 PolarHBondContact O-N 3.22Å; L406-V409 VanDerWaalsContact O-N 3.09Å; M407-V409 VanDerWaalsContact C-N 3.28Å; M407-V409 PolarHBondContact O-N 3.18Å; V409-P412 WeakPolarHBondContact O-CD 3.36Å |
| 410 | L | 94.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -70.8 | -38.4 | 175.8 | 179.4 | 65.5 | 0 | 0 | 0 | 112.4 | Y360 L364 M397 S400 L406 M407 V413 M414 | Y360-L410 HydrophobicContact CD1-CD2 4.21Å; Y360-L410 HydrophobicContact CE1-CD2 3.58Å; L364-L410 HydrophobicContact CD1-CD2 4.21Å; M397-L410 HydrophobicContact CB-CD1 4.31Å; S400-L410 WeakPolarHBondContact OG-CD2 3.27Å; L406-L410 PolarHBondContact O-N 3.46Å; M407-L410 WeakPolarHBondContact O-CB 3.43Å; M407-L410 PolarHBondContact O-N 3.2Å; M407-L410 VanDerWaalsContact O-N 3.13Å; M407-L410 HydrophobicContact SD-CB 4.35Å; M407-L410 HydrophobicContact SD-CD2 3.89Å; M407-L410 HydrophobicContact SD-CG 4.5Å; L410-V413 HydrophobicContact CD1-CG1 3.83Å; L410-V413 WeakPolarHBondContact O-CG1 3.44Å; L410-V413 PolarHBondContact O-N 2.92Å; L410-V413 VanDerWaalsContact O-N 3.15Å; L410-M414 HydrophobicContact CD1-CG 3.67Å; L410-M414 HydrophobicContact CD1-SD 3.85Å; L410-M414 HydrophobicContact CD2-CG 4.17Å; L410-M414 HydrophobicContact CD2-SD 4.4Å; L410-M414 HydrophobicContact CG-CG 3.53Å; L410-M414 HydrophobicContact CG-SD 4.16Å; L410-M414 VanDerWaalsContact O-CG 3.28Å; L410-M414 WeakPolarHBondContact O-CG 3.4Å; L410-M414 PolarHBondContact O-N 3.47Å |
| 411 | A | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -53.9 | -45.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V154 L364 M407 V413 M414 C415 | V154-A411 HydrophobicContact CG1-CB 4.44Å; V154-A411 HydrophobicContact CG2-CB 4.46Å; L364-A411 HydrophobicContact CD2-CB 4.28Å; M407-A411 PolarHBondContact O-N 3.1Å; A411-V413 PolarHBondContact O-N 2.96Å; A411-M414 PolarHBondContact O-N 2.68Å; A411-C415 PolarHBondContact O-N 3.21Å; A411-C415 VanDerWaalsContact O-N 3.09Å; A411-C415 PolarHBondContact O-SG 2.87Å |
| 412 | P | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.6 | -25.1 | 33.8 | 0 | 0 | 0 | 114.2 | I151 I173 M176 L177 L408 V409 M414 C415 I416 | I151-P412 HydrophobicContact CD1-CB 4.01Å; I151-P412 HydrophobicContact CD1-CG 4.26Å; I173-P412 HydrophobicContact CG2-CG 3.72Å; M176-P412 HydrophobicContact CE-CG 4.28Å; L177-P412 HydrophobicContact CD1-CB 3.99Å; L177-P412 HydrophobicContact CD1-CG 4.46Å; L177-P412 HydrophobicContact CD2-CB 3.78Å; L177-P412 HydrophobicContact CG-CB 4.32Å; L408-P412 WeakPolarHBondContact O-CD 3.44Å; V409-P412 WeakPolarHBondContact O-CD 3.36Å; P412-M414 VanDerWaalsContact C-N 3.34Å; P412-C415 PolarHBondContact O-N 3.19Å; P412-I416 WeakPolarHBondContact O-CD1 3.5Å; P412-I416 VanDerWaalsContact O-CG1 3.24Å; P412-I416 WeakPolarHBondContact O-CG1 3.32Å; P412-I416 PolarHBondContact O-N 3.39Å |
| 413 | V | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -70.4 | -33.9 | -178.7 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | I389 Y392 L410 A411 C415 I416 L417 | I389-V413 HydrophobicContact CG2-CG2 4.46Å; Y392-V413 HydrophobicContact CD1-CB 3.65Å; Y392-V413 HydrophobicContact CD1-CG2 3.59Å; Y392-V413 HydrophobicContact CE1-CB 3.5Å; Y392-V413 VanDerWaalsContact CE1-CB 3.5Å; Y392-V413 HydrophobicContact CE1-CG1 4.36Å; Y392-V413 HydrophobicContact CE1-CG2 3.99Å; Y392-V413 HydrophobicContact CE2-CB 4.41Å; Y392-V413 HydrophobicContact CE2-CG1 4.46Å; Y392-V413 HydrophobicContact CG-CB 4.19Å; Y392-V413 HydrophobicContact CG-CG2 4.01Å; L410-V413 HydrophobicContact CD1-CG1 3.83Å; L410-V413 WeakPolarHBondContact O-CG1 3.44Å; L410-V413 PolarHBondContact O-N 2.92Å; L410-V413 VanDerWaalsContact O-N 3.15Å; A411-V413 PolarHBondContact O-N 2.96Å; V413-C415 VanDerWaalsContact C-N 3.34Å; V413-I416 PolarHBondContact O-N 3.27Å; V413-L417 HydrophobicContact CG2-CD1 3.82Å; V413-L417 HydrophobicContact CG2-CG 4.39Å; V413-L417 WeakPolarHBondContact O-CB 3.26Å; V413-L417 PolarHBondContact O-N 3.31Å |
| 414 | M | 95 | Very high | 93.3 | Very high | 8 Ų | 8 | 11.1 Ų | 11.1 | 4% | 0.039 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 171.3 | -66 | -67.3 | -72.4 | 0 | 0 | 111.3 | L364 L367 F371 L410 A411 P412 S418 | L364-M414 HydrophobicContact CD1-CE 3.88Å; L364-M414 HydrophobicContact CD1-CG 3.96Å; L364-M414 HydrophobicContact CD2-CB 4.36Å; L364-M414 HydrophobicContact CD2-CG 4.49Å; L367-M414 HydrophobicContact CB-CB 4.38Å; L367-M414 WeakPolarHBondContact O-CE 3.34Å; F371-M414 HydrophobicContact CB-CE 3.38Å; F371-M414 HydrophobicContact CB-SD 3.64Å; F371-M414 HydrophobicContact CD1-CE 4.16Å; F371-M414 HydrophobicContact CD1-SD 3.84Å; F371-M414 HydrophobicContact CD2-CE 4.12Å; F371-M414 HydrophobicContact CD2-CG 4.43Å; F371-M414 HydrophobicContact CD2-SD 3.13Å; F371-M414 WeakPolarHBondContact CD2-SD 3.31Å; F371-M414 HydrophobicContact CE1-SD 4.2Å; F371-M414 HydrophobicContact CE2-SD 3.52Å; F371-M414 VanDerWaalsContact CE2-SD 3.52Å; F371-M414 HydrophobicContact CG-CE 3.67Å; F371-M414 HydrophobicContact CG-SD 3.28Å; F371-M414 WeakPolarHBondContact CG-SD 3.35Å; F371-M414 HydrophobicContact CZ-SD 4.04Å; L410-M414 HydrophobicContact CD1-CG 3.67Å; L410-M414 HydrophobicContact CD1-SD 3.85Å; L410-M414 HydrophobicContact CD2-CG 4.17Å; L410-M414 HydrophobicContact CD2-SD 4.4Å; L410-M414 HydrophobicContact CG-CG 3.53Å; L410-M414 HydrophobicContact CG-SD 4.16Å; L410-M414 VanDerWaalsContact O-CG 3.28Å; L410-M414 WeakPolarHBondContact O-CG 3.4Å; L410-M414 PolarHBondContact O-N 3.47Å; A411-M414 PolarHBondContact O-N 2.68Å; P412-M414 VanDerWaalsContact C-N 3.34Å; M414-S418 WeakPolarHBondContact O-CB 3.35Å; M414-S418 PolarHBondContact O-N 3.05Å; M414-S418 PolarHBondContact O-OG 2.85Å |
| 415 | C | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | 176.3 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | M150 I151 A411 P412 V413 G419 | M150-C415 HydrophobicContact CB-CB 4.17Å; I151-C415 HydrophobicContact CB-CB 4.15Å; A411-C415 PolarHBondContact O-N 3.21Å; A411-C415 VanDerWaalsContact O-N 3.09Å; A411-C415 PolarHBondContact O-SG 2.87Å; P412-C415 PolarHBondContact O-N 3.19Å; V413-C415 VanDerWaalsContact C-N 3.34Å; C415-G419 PolarHBondContact O-N 3.41Å |
| 416 | I | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.7 | -50.4 | -180 | -66.2 | 164 | 0 | 0 | 0 | 110.9 | T131 L134 T135 L138 L177 P412 V413 G419 I420 | T131-I416 HydrophobicContact CG2-CG1 3.95Å; L134-I416 HydrophobicContact CD2-CD1 3.58Å; L134-I416 HydrophobicContact CG-CD1 4.27Å; T135-I416 HydrophobicContact CG2-CG2 4.25Å; L138-I416 HydrophobicContact CD1-CG2 3.5Å; L177-I416 HydrophobicContact CD2-CD1 4.47Å; P412-I416 WeakPolarHBondContact O-CD1 3.5Å; P412-I416 VanDerWaalsContact O-CG1 3.24Å; P412-I416 WeakPolarHBondContact O-CG1 3.32Å; P412-I416 PolarHBondContact O-N 3.39Å; V413-I416 PolarHBondContact O-N 3.27Å; I416-G419 PolarHBondContact O-N 3.47Å; I416-I420 HydrophobicContact CG2-CD1 4.19Å; I416-I420 WeakPolarHBondContact O-CG1 3.27Å; I416-I420 PolarHBondContact O-N 3.45Å |
| 417 | L | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -69.2 | -41.5 | -178.8 | -76.4 | 167 | 0 | 0 | 0 | 112 | F371 G374 L375 I389 V413 G419 I420 G421 | F371-L417 HydrophobicContact CD2-CB 3.96Å; F371-L417 HydrophobicContact CD2-CD1 3.57Å; F371-L417 HydrophobicContact CD2-CG 4.43Å; F371-L417 HydrophobicContact CE2-CD1 3.3Å; F371-L417 HydrophobicContact CZ-CD1 4.33Å; G374-L417 VanDerWaalsContact CA-O 3.26Å; G374-L417 WeakPolarHBondContact CA-O 3.37Å; L375-L417 HydrophobicContact CD2-CD1 3.55Å; L375-L417 HydrophobicContact CD2-CD2 4.11Å; L375-L417 HydrophobicContact CD2-CG 4.49Å; L375-L417 HydrophobicContact CG-CD1 3.95Å; I389-L417 HydrophobicContact CG2-CD1 4.28Å; I389-L417 HydrophobicContact CG2-CD2 3.73Å; I389-L417 HydrophobicContact CG2-CG 3.91Å; V413-L417 HydrophobicContact CG2-CD1 3.82Å; V413-L417 HydrophobicContact CG2-CG 4.39Å; V413-L417 WeakPolarHBondContact O-CB 3.26Å; V413-L417 PolarHBondContact O-N 3.31Å; L417-G419 VanDerWaalsContact C-N 3.33Å; L417-G419 PolarHBondContact O-N 2.94Å; L417-I420 WeakPolarHBondContact O-CB 3.26Å; L417-I420 PolarHBondContact O-N 3.37Å; L417-G421 PolarHBondContact O-N 2.76Å |
| 418 | S | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 174.1 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | L367 F371 M414 I420 G421 V422 | L367-S418 WeakPolarHBondContact CA-OG 3.05Å; L367-S418 VanDerWaalsContact CD2-CB 3.45Å; L367-S418 PolarHBondContact O-OG 3.35Å; F371-S418 PolarHBondContact N-OG 3.41Å; M414-S418 WeakPolarHBondContact O-CB 3.35Å; M414-S418 PolarHBondContact O-N 3.05Å; M414-S418 PolarHBondContact O-OG 2.85Å; S418-I420 VanDerWaalsContact C-N 3.33Å; S418-I420 PolarHBondContact O-N 3.26Å; S418-G421 PolarHBondContact O-N 3.23Å; S418-V422 WeakPolarHBondContact O-CB 3.34Å; S418-V422 WeakPolarHBondContact O-CG2 3.5Å; S418-V422 PolarHBondContact O-N 3.24Å |
| 419 | G | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C415 I416 L417 S423 | C415-G419 PolarHBondContact O-N 3.41Å; I416-G419 PolarHBondContact O-N 3.47Å; L417-G419 VanDerWaalsContact C-N 3.33Å; L417-G419 PolarHBondContact O-N 2.94Å; G419-S423 WeakPolarHBondContact O-CB 3.31Å; G419-S423 PolarHBondContact O-N 3.25Å |
| 420 | I | 94.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 4% | 0.036 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 172.8 | -73.3 | 167.4 | 0 | 0 | 0 | 111.4 | T135 L138 K139 A143 I416 L417 S418 Q424 | T135-I420 HydrophobicContact CG2-CG1 4.19Å; L138-I420 HydrophobicContact CB-CD1 4.07Å; L138-I420 HydrophobicContact CD1-CD1 4.01Å; K139-I420 HydrophobicContact CB-CG1 4.49Å; K139-I420 HydrophobicContact CD-CG2 4.15Å; K139-I420 PolarHBondContact NZ-O 2.91Å; A143-I420 HydrophobicContact CB-CG1 4.17Å; I416-I420 HydrophobicContact CG2-CD1 4.19Å; I416-I420 WeakPolarHBondContact O-CG1 3.27Å; I416-I420 PolarHBondContact O-N 3.45Å; L417-I420 WeakPolarHBondContact O-CB 3.26Å; L417-I420 PolarHBondContact O-N 3.37Å; S418-I420 VanDerWaalsContact C-N 3.33Å; S418-I420 PolarHBondContact O-N 3.26Å; I420-Q424 WeakPolarHBondContact O-CB 3.41Å; I420-Q424 PolarHBondContact O-N 3.05Å |
| 421 | G | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -52 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L417 S418 S423 Q424 V425 | L417-G421 PolarHBondContact O-N 2.76Å; S418-G421 PolarHBondContact O-N 3.23Å; G421-S423 PolarHBondContact O-N 2.88Å; G421-Q424 WeakPolarHBondContact O-CB 3.38Å; G421-Q424 PolarHBondContact O-N 2.77Å; G421-Q424 VanDerWaalsContact O-N 3.09Å; G421-V425 WeakPolarHBondContact O-CG2 3.25Å; G421-V425 PolarHBondContact O-N 3.45Å |
| 422 | V | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 177 | 174.6 | 0 | 0 | 0 | 0 | 111 | L146 M150 M370 S418 Q424 V425 L426 M464 | L146-V422 HydrophobicContact CD1-CB 4.32Å; L146-V422 HydrophobicContact CD1-CG1 3.94Å; M150-V422 HydrophobicContact CE-CB 4.23Å; M150-V422 HydrophobicContact CE-CG2 3.89Å; M370-V422 HydrophobicContact CB-CG2 4.46Å; M370-V422 HydrophobicContact CG-CG2 3.93Å; M370-V422 HydrophobicContact SD-CG2 4.04Å; S418-V422 WeakPolarHBondContact O-CB 3.34Å; S418-V422 WeakPolarHBondContact O-CG2 3.5Å; S418-V422 PolarHBondContact O-N 3.24Å; V422-Q424 VanDerWaalsContact C-N 3.25Å; V422-Q424 PolarHBondContact O-N 2.82Å; V422-V425 PolarHBondContact O-N 2.87Å; V422-L426 HydrophobicContact CG1-CD1 3.78Å; V422-L426 HydrophobicContact CG1-CG 4.19Å; V422-L426 WeakPolarHBondContact O-CB 3.32Å; V422-L426 VanDerWaalsContact O-CG 3.31Å; V422-L426 WeakPolarHBondContact O-CG 3.3Å; V422-L426 PolarHBondContact O-N 2.81Å; V422-M464 HydrophobicContact CB-SD 4.44Å; V422-M464 HydrophobicContact CG1-CG 3.96Å; V422-M464 HydrophobicContact CG1-SD 3.84Å; V422-M464 HydrophobicContact CG2-CE 4.35Å; V422-M464 HydrophobicContact CG2-SD 3.88Å |
| 423 | S | 93.4 | Very high | 89.5 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57 | -39.4 | 173.7 | 163.2 | 0 | 0 | 0 | 0 | 111.9 | K139 D140 G419 G421 S427 | K139-S423 PolarHBondContact NZ-OG 3.44Å; D140-S423 PolarHBondContact OD1-OG 3.3Å; G419-S423 WeakPolarHBondContact O-CB 3.31Å; G419-S423 PolarHBondContact O-N 3.25Å; G421-S423 PolarHBondContact O-N 2.88Å; S423-S427 VanDerWaalsContact O-CB 3.25Å; S423-S427 WeakPolarHBondContact O-CB 3.17Å; S423-S427 PolarHBondContact O-N 3.46Å; S423-S427 PolarHBondContact O-OG 3.29Å |
| 424 | Q | 91 | Very high | 87.9 | Confident | 56 Ų | 56 | 38.9 Ų | 38.9 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -70.5 | -42 | -179.1 | -169 | 59.7 | 26.1 | 0 | 0 | 112.1 | K139 Y377 I420 G421 V422 S427 T428 | K139-Q424 VanDerWaalsContact NZ-CA 3.26Å; Y377-Q424 HydrophobicContact CD1-CG 3.74Å; Y377-Q424 HydrophobicContact CD2-CB 3.85Å; Y377-Q424 HydrophobicContact CD2-CG 3.83Å; Y377-Q424 HydrophobicContact CE1-CG 3.56Å; Y377-Q424 HydrophobicContact CE2-CB 3.79Å; Y377-Q424 HydrophobicContact CE2-CG 3.65Å; Y377-Q424 HydrophobicContact CG-CB 4.27Å; Y377-Q424 HydrophobicContact CG-CG 3.88Å; I420-Q424 WeakPolarHBondContact O-CB 3.41Å; I420-Q424 PolarHBondContact O-N 3.05Å; G421-Q424 WeakPolarHBondContact O-CB 3.38Å; G421-Q424 PolarHBondContact O-N 2.77Å; G421-Q424 VanDerWaalsContact O-N 3.09Å; V422-Q424 VanDerWaalsContact C-N 3.25Å; V422-Q424 PolarHBondContact O-N 2.82Å; Q424-S427 WeakPolarHBondContact CA-OG 3.36Å; Q424-S427 PolarHBondContact O-OG 2.79Å; Q424-T428 WeakPolarHBondContact O-CB 3.31Å; Q424-T428 PolarHBondContact O-N 3.45Å; Q424-T428 VanDerWaalsContact O-N 3.09Å; Q424-T428 PolarHBondContact O-OG1 3.31Å |
| 425 | V | 90.1 | Very high | 85.9 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -54.6 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 109.5 | G421 V422 S427 T428 Y429 M460 M464 | G421-V425 WeakPolarHBondContact O-CG2 3.25Å; G421-V425 PolarHBondContact O-N 3.45Å; V422-V425 PolarHBondContact O-N 2.87Å; V425-S427 PolarHBondContact O-N 3.17Å; V425-T428 PolarHBondContact O-N 2.75Å; V425-T428 VanDerWaalsContact O-N 3.14Å; V425-Y429 HydrophobicContact CG1-CD2 3.83Å; V425-Y429 HydrophobicContact CG1-CE2 3.9Å; V425-Y429 WeakPolarHBondContact O-CD2 3.24Å; V425-Y429 PolarHBondContact O-N 2.89Å; V425-Y429 VanDerWaalsContact O-N 3.11Å; V425-M460 HydrophobicContact CG1-CE 3.64Å; V425-M460 HydrophobicContact CG1-CG 4.25Å; V425-M464 HydrophobicContact CB-CE 4.38Å; V425-M464 HydrophobicContact CG1-CE 3.94Å |
| 426 | L | 89.8 | Confident | 83.4 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | -179.1 | -69 | 175.6 | 0 | 0 | 0 | 112.3 | L146 V422 T428 Y429 M430 I461 M464 | L146-L426 HydrophobicContact CD1-CD1 4.22Å; V422-L426 HydrophobicContact CG1-CD1 3.78Å; V422-L426 HydrophobicContact CG1-CG 4.19Å; V422-L426 WeakPolarHBondContact O-CB 3.32Å; V422-L426 VanDerWaalsContact O-CG 3.31Å; V422-L426 WeakPolarHBondContact O-CG 3.3Å; V422-L426 PolarHBondContact O-N 2.81Å; L426-T428 PolarHBondContact O-N 3.41Å; L426-Y429 PolarHBondContact O-N 2.98Å; L426-M430 HydrophobicContact CB-SD 4.41Å; L426-M430 WeakPolarHBondContact O-CB 3.49Å; L426-M430 WeakPolarHBondContact O-CG 3.26Å; L426-M430 PolarHBondContact O-N 2.94Å; L426-I461 HydrophobicContact CD2-CG1 4.14Å; L426-M464 HydrophobicContact CD2-CB 4.28Å; L426-M464 HydrophobicContact CD2-CG 4.05Å; L426-M464 HydrophobicContact CG-CG 4.41Å |
| 427 | S | 87.9 | Confident | 80.8 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.6 | -23.4 | 179.3 | 58 | 0 | 0 | 0 | 0 | 114 | S423 Q424 V425 K431 | S423-S427 VanDerWaalsContact O-CB 3.25Å; S423-S427 WeakPolarHBondContact O-CB 3.17Å; S423-S427 PolarHBondContact O-N 3.46Å; S423-S427 PolarHBondContact O-OG 3.29Å; Q424-S427 WeakPolarHBondContact CA-OG 3.36Å; Q424-S427 PolarHBondContact O-OG 2.79Å; V425-S427 PolarHBondContact O-N 3.17Å; S427-K431 WeakPolarHBondContact O-CD 3.36Å; S427-K431 WeakPolarHBondContact O-CG 3.43Å |
| 428 | T | 86.5 | Confident | 78.1 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -77.5 | -44.4 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 111 | Q424 V425 L426 | Q424-T428 WeakPolarHBondContact O-CB 3.31Å; Q424-T428 PolarHBondContact O-N 3.45Å; Q424-T428 VanDerWaalsContact O-N 3.09Å; Q424-T428 PolarHBondContact O-OG1 3.31Å; V425-T428 PolarHBondContact O-N 2.75Å; V425-T428 VanDerWaalsContact O-N 3.14Å; L426-T428 PolarHBondContact O-N 3.41Å |
| 429 | Y | 86.1 | Confident | 75.4 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 29% | 0.286 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -81.2 | -34.7 | -178.4 | -69 | -72 | 0 | 0 | 0 | 113.2 | V425 L426 K431 N432 V456 A457 M460 | V425-Y429 HydrophobicContact CG1-CD2 3.83Å; V425-Y429 HydrophobicContact CG1-CE2 3.9Å; V425-Y429 WeakPolarHBondContact O-CD2 3.24Å; V425-Y429 PolarHBondContact O-N 2.89Å; V425-Y429 VanDerWaalsContact O-N 3.11Å; L426-Y429 PolarHBondContact O-N 2.98Å; Y429-K431 VanDerWaalsContact C-N 3.28Å; Y429-K431 PolarHBondContact O-N 3.09Å; Y429-N432 WeakPolarHBondContact O-CB 3.42Å; Y429-N432 PolarHBondContact O-N 3.37Å; Y429-V456 HydrophobicContact CE1-CG1 4.41Å; Y429-A457 HydrophobicContact CD1-CB 4.12Å; Y429-A457 WeakPolarHBondContact O-CB 3.34Å; Y429-M460 HydrophobicContact CD1-CB 4.28Å; Y429-M460 HydrophobicContact CD2-CB 4.12Å; Y429-M460 HydrophobicContact CD2-CG 3.61Å; Y429-M460 HydrophobicContact CE1-CB 4.37Å; Y429-M460 HydrophobicContact CE1-CG 4.43Å; Y429-M460 HydrophobicContact CE2-CB 4.27Å; Y429-M460 HydrophobicContact CE2-CG 3.53Å; Y429-M460 HydrophobicContact CG-CB 4.15Å; Y429-M460 HydrophobicContact CG-CG 4.15Å |
| 430 | M | 83.4 | Confident | 73 | Confident | 102 Ų | 102 | 81 Ų | 81 | 50% | 0.502 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.2 | -31.8 | 179.1 | -74.8 | -179.1 | 71 | 0 | 0 | 113.2 | L426 N432 L433 I461 | L426-M430 HydrophobicContact CB-SD 4.41Å; L426-M430 WeakPolarHBondContact O-CB 3.49Å; L426-M430 WeakPolarHBondContact O-CG 3.26Å; L426-M430 PolarHBondContact O-N 2.94Å; M430-N432 PolarHBondContact O-N 3.1Å; M430-N432 VanDerWaalsContact O-N 3.15Å; M430-L433 WeakPolarHBondContact O-CB 3.42Å; M430-L433 PolarHBondContact O-N 2.98Å; M430-I461 HydrophobicContact CG-CD1 3.7Å |
| 431 | K | 78.8 | Confident | 70.5 | Confident | 161 Ų | 161 | 90.3 Ų | 90.3 | 70% | 0.7 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.6 | 174 | -73.9 | 175.3 | -176.2 | -179 | 0 | 113.1 | S427 Y429 L433 | S427-K431 WeakPolarHBondContact O-CD 3.36Å; S427-K431 WeakPolarHBondContact O-CG 3.43Å; Y429-K431 VanDerWaalsContact C-N 3.28Å; Y429-K431 PolarHBondContact O-N 3.09Å; K431-L433 VanDerWaalsContact C-N 3.33Å |
| 432 | N | 75 | Confident | 67.8 | Low | 55 Ų | 55 | 94.8 Ų | 94.8 | 29% | 0.294 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.1 | 177.9 | -59 | -33.4 | 0 | 0 | 0 | 112.6 | Y429 M430 Y450 A457 | Y429-N432 WeakPolarHBondContact O-CB 3.42Å; Y429-N432 PolarHBondContact O-N 3.37Å; M430-N432 PolarHBondContact O-N 3.1Å; M430-N432 VanDerWaalsContact O-N 3.15Å; N432-Y450 PolarHBondContact O-OH 2.98Å; N432-A457 HydrophobicContact CB-CB 3.9Å |
| 433 | L | 69.2 | Low | 65.1 | Low | 63 Ų | 63 | 105.4 Ų | 105.4 | 33% | 0.33 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -24.2 | 178.1 | -71.7 | 167.9 | 0 | 0 | 0 | 113.4 | M430 K431 I435 N454 S458 I461 | M430-L433 WeakPolarHBondContact O-CB 3.42Å; M430-L433 PolarHBondContact O-N 2.98Å; K431-L433 VanDerWaalsContact C-N 3.33Å; L433-I435 VanDerWaalsContact C-N 3.33Å; L433-I435 PolarHBondContact O-N 3.5Å; L433-N454 WeakPolarHBondContact CD2-OD1 3.38Å; L433-S458 VanDerWaalsContact CD2-OG 3.31Å; L433-S458 WeakPolarHBondContact CD2-OG 3.19Å; L433-I461 HydrophobicContact CD1-CD1 3.26Å; L433-I461 HydrophobicContact CG-CD1 4.34Å |
| 434 | D | 62.6 | Low | 62.3 | Low | 134 Ų | 134 | 114 Ų | 114 | 72% | 0.717 | 56% | 0.564 | S | S | * | * | trans | -73.4 | 82.2 | -176.6 | -81.9 | -26.2 | 0 | 0 | 0 | 111.8 | S436 | D434-S436 PolarHBondContact O-N 3.34Š| ||
| 435 | I | 51.5 | Low | 59.9 | Low | 100 Ų | 100 | 120.1 Ų | 120.1 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | trans | -79.3 | -1.2 | 174.8 | -68.4 | 164 | 0 | 0 | 0 | 112.3 | L433 R437 Y450 | L433-I435 VanDerWaalsContact C-N 3.33Å; L433-I435 PolarHBondContact O-N 3.5Å; I435-R437 PolarHBondContact O-N 3.26Å; I435-R437 VanDerWaalsContact O-N 3.14Å; I435-Y450 HydrophobicContact CD1-CE1 4.02Å; I435-Y450 HydrophobicContact CG1-CE1 3.85Å; I435-Y450 WeakPolarHBondContact CG1-OH 3.47Å | ||
| 436 | S | 44.4 | Very low | 57.8 | Low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 63% | 0.631 | S | S | * | * | trans | -94.2 | 67.9 | -172.8 | -72.8 | 0 | 0 | 0 | 0 | 114.1 | D434 | D434-S436 PolarHBondContact O-N 3.34Š| ||
| 437 | R | 39.5 | Very low | 56.3 | Low | 221 Ų | 221 | 131.1 Ų | 131.1 | 83% | 0.834 | 65% | 0.645 | S | S | * | * | trans | 173.3 | 95.8 | 138.1 | -95 | 167.4 | -167.7 | -163.8 | 5 | 109.1 | I435 D439 | I435-R437 PolarHBondContact O-N 3.26Å; I435-R437 VanDerWaalsContact O-N 3.14Å; R437-D439 VanDerWaalsContact C-N 3.3Å; R437-D439 PolarHBondContact O-N 3.24Å | ||
| 438 | P | 39.3 | Very low | 54.8 | Low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 67% | 0.667 | S | S | * | * | trans | -67 | 102.1 | 154.2 | 28.2 | -27.1 | 0 | 0 | 0 | 105.8 | K440 | P438-K440 PolarHBondContact O-N 3.37Š| ||
| 439 | D | 39.4 | Very low | 54.1 | Low | 129 Ų | 129 | 134.3 Ų | 134.3 | 69% | 0.69 | 67% | 0.667 | S | S | * | * | trans | -52.8 | 119.8 | 162.3 | -95.3 | -27.7 | 0 | 0 | 0 | 106.7 | R437 K441 | R437-D439 VanDerWaalsContact C-N 3.3Å; R437-D439 PolarHBondContact O-N 3.24Å; D439-K441 PolarHBondContact O-N 3.43Å | ||
| 440 | K | 43 | Very low | 53 | Low | 215 Ų | 215 | 134.9 Ų | 134.9 | 94% | 0.935 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 20.3 | -173.4 | -89 | -177.1 | 172.5 | -179.8 | 0 | 114.4 | P438 | P438-K440 PolarHBondContact O-N 3.37Š|
| 441 | K | 42.4 | Very low | 52.5 | Low | 203 Ų | 203 | 133.9 Ų | 133.9 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 1.5 | -173.1 | -74.9 | -170.8 | 174.5 | -178.6 | 0 | 116.8 | D439 | D439-K441 PolarHBondContact O-N 3.43Š|
| 442 | S | 38.4 | Very low | 52.3 | Low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | trans | -123.7 | 77.8 | 173.9 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | K444 | S442-K444 PolarHBondContact O-N 3.33Š| ||
| 443 | K | 34.5 | Very low | 52.4 | Low | 223 Ų | 223 | 132.6 Ų | 132.6 | 97% | 0.97 | 67% | 0.666 | S | S | * | * | trans | -71.4 | 46.8 | 162.2 | -94.6 | -171.9 | 174.6 | -177.1 | 0 | 112.2 | ||||
| 444 | K | 36.1 | Very low | 53 | Low | 188 Ų | 188 | 131.2 Ų | 131.2 | 82% | 0.817 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -132.5 | 113.8 | 175.2 | -82.4 | -173.1 | 174.6 | -178.9 | 0 | 110.9 | S442 | S442-K444 PolarHBondContact O-N 3.33Š|
| 445 | Q | 40 | Very low | 53.9 | Low | 185 Ų | 185 | 131.3 Ų | 131.3 | 86% | 0.864 | 66% | 0.655 | S | S | * | * | trans | 62.4 | 86.4 | 170 | -73 | 168.4 | -24.3 | 0 | 0 | 116.1 | D447 | Q445-D447 PolarHBondContact O-N 3.13Å; Q445-D447 VanDerWaalsContact O-N 3.12Å | ||
| 446 | Q | 46.6 | Very low | 55.6 | Low | 194 Ų | 194 | 130.4 Ų | 130.4 | 91% | 0.907 | 65% | 0.654 | S | S | * | * | trans | -66.5 | 102.8 | 156.6 | -161.8 | 171.2 | 9.1 | 0 | 0 | 107 | S448 | Q446-S448 PolarHBondContact O-N 3.09Å; Q446-S448 VanDerWaalsContact O-N 3.11Å | ||
| 447 | D | 57.3 | Low | 57.5 | Low | 85 Ų | 85 | 125.1 Ų | 125.1 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | trans | -49.3 | 114.9 | 177.4 | -121.7 | 14.7 | 0 | 0 | 0 | 109 | Q445 T449 Y450 K453 | Q445-D447 PolarHBondContact O-N 3.13Å; Q445-D447 VanDerWaalsContact O-N 3.12Å; D447-T449 PolarHBondContact O-N 2.64Å; D447-T449 VanDerWaalsContact O-N 3.07Å; D447-Y450 WeakPolarHBondContact O-CB 3.26Å; D447-Y450 PolarHBondContact O-N 3.18Å; D447-K453 IonicContact OD2-NZ 3.62Å; D447-K453 PolarHBondContact OD2-NZ 3.24Å | ||
| 448 | S | 57.7 | Low | 59.7 | Low | 108 Ų | 108 | 116.7 Ų | 116.7 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -20.7 | -178 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | Q446 Y450 P451 | Q446-S448 PolarHBondContact O-N 3.09Å; Q446-S448 VanDerWaalsContact O-N 3.11Å; S448-Y450 VanDerWaalsContact C-N 3.31Å; S448-P451 WeakPolarHBondContact O-CD 3.45Å |
| 449 | T | 70.1 | Confident | 62.1 | Low | 61 Ų | 61 | 112.9 Ų | 112.9 | 37% | 0.374 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | -6 | 175.7 | -33.1 | 0 | 0 | 0 | 0 | 113 | D447 I452 K453 | D447-T449 PolarHBondContact O-N 2.64Å; D447-T449 VanDerWaalsContact O-N 3.07Å; T449-I452 HydrophobicContact CG2-CB 4.3Å; T449-I452 PolarHBondContact O-N 3.14Å; T449-K453 HydrophobicContact CG2-CG 4.22Å; T449-K453 WeakPolarHBondContact O-CG 3.22Å; T449-K453 PolarHBondContact O-N 3.24Å |
| 450 | Y | 64.1 | Low | 64.4 | Low | 86 Ų | 86 | 109.6 Ų | 109.6 | 34% | 0.337 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -56.9 | -46.5 | -178.3 | -166.6 | -96.2 | 0 | 0 | 0 | 114.9 | N432 I435 D447 S448 I452 K453 N454 | N432-Y450 PolarHBondContact O-OH 2.98Å; I435-Y450 HydrophobicContact CD1-CE1 4.02Å; I435-Y450 HydrophobicContact CG1-CE1 3.85Å; I435-Y450 WeakPolarHBondContact CG1-OH 3.47Å; D447-Y450 WeakPolarHBondContact O-CB 3.26Å; D447-Y450 PolarHBondContact O-N 3.18Å; S448-Y450 VanDerWaalsContact C-N 3.31Å; Y450-I452 VanDerWaalsContact C-N 3.3Å; Y450-I452 PolarHBondContact O-N 3.28Å; Y450-K453 PolarHBondContact O-N 3.19Å; Y450-N454 WeakPolarHBondContact O-CB 3.18Å; Y450-N454 PolarHBondContact O-N 2.94Å |
| 451 | P | 72.3 | Confident | 66.6 | Low | 80 Ų | 80 | 101.3 Ų | 101.3 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 175.4 | 22.3 | -33 | 0 | 0 | 0 | 111.8 | S448 K453 N454 E455 | S448-P451 WeakPolarHBondContact O-CD 3.45Å; P451-K453 PolarHBondContact O-N 2.99Å; P451-N454 PolarHBondContact O-N 2.66Å; P451-E455 WeakPolarHBondContact O-CG 3.36Å; P451-E455 PolarHBondContact O-N 2.81Å |
| 452 | I | 75.3 | Confident | 68.8 | Low | 106 Ų | 106 | 97.5 Ų | 97.5 | 54% | 0.544 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.2 | -59.4 | 172.4 | 0 | 0 | 0 | 110.6 | T449 Y450 N454 E455 V456 | T449-I452 HydrophobicContact CG2-CB 4.3Å; T449-I452 PolarHBondContact O-N 3.14Å; Y450-I452 VanDerWaalsContact C-N 3.3Å; Y450-I452 PolarHBondContact O-N 3.28Å; I452-N454 VanDerWaalsContact C-N 3.3Å; I452-N454 PolarHBondContact O-N 2.75Å; I452-E455 PolarHBondContact O-N 2.63Å; I452-V456 HydrophobicContact CG2-CG2 4.25Å; I452-V456 WeakPolarHBondContact O-CB 3.39Å; I452-V456 WeakPolarHBondContact O-CG2 3.44Å; I452-V456 PolarHBondContact O-N 3.49Å |
| 453 | K | 77.6 | Confident | 71.4 | Confident | 84 Ų | 84 | 96.1 Ų | 96.1 | 37% | 0.365 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -38 | 176.8 | -72.8 | 173.2 | -178.7 | 175.9 | 0 | 111.8 | D447 T449 Y450 P451 A457 | D447-K453 IonicContact OD2-NZ 3.62Å; D447-K453 PolarHBondContact OD2-NZ 3.24Å; T449-K453 HydrophobicContact CG2-CG 4.22Å; T449-K453 WeakPolarHBondContact O-CG 3.22Å; T449-K453 PolarHBondContact O-N 3.24Å; Y450-K453 PolarHBondContact O-N 3.19Å; P451-K453 PolarHBondContact O-N 2.99Å; K453-A457 WeakPolarHBondContact O-CB 3.41Å; K453-A457 PolarHBondContact O-N 3.37Å |
| 454 | N | 80.3 | Confident | 74.1 | Confident | 34 Ų | 34 | 85.7 Ų | 85.7 | 18% | 0.182 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -70.5 | -43.7 | 177.8 | -171.5 | 40.9 | 0 | 0 | 0 | 112.4 | L433 Y450 P451 I452 A457 S458 | L433-N454 WeakPolarHBondContact CD2-OD1 3.38Å; Y450-N454 WeakPolarHBondContact O-CB 3.18Å; Y450-N454 PolarHBondContact O-N 2.94Å; P451-N454 PolarHBondContact O-N 2.66Å; I452-N454 VanDerWaalsContact C-N 3.3Å; I452-N454 PolarHBondContact O-N 2.75Å; N454-A457 PolarHBondContact O-N 2.98Å; N454-S458 WeakPolarHBondContact O-CB 3.46Å; N454-S458 PolarHBondContact O-N 3.15Å; N454-S458 PolarHBondContact O-OG 2.75Å |
| 455 | E | 83 | Confident | 76.7 | Confident | 135 Ų | 135 | 78.8 Ų | 78.8 | 63% | 0.631 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 174.7 | -71.8 | -62.5 | 153.7 | 0 | 0 | 111.3 | P451 I452 A457 S458 G459 | P451-E455 WeakPolarHBondContact O-CG 3.36Å; P451-E455 PolarHBondContact O-N 2.81Å; I452-E455 PolarHBondContact O-N 2.63Å; E455-A457 PolarHBondContact O-N 3Å; E455-S458 PolarHBondContact O-N 3.17Å; E455-G459 PolarHBondContact O-N 3.39Å |
| 456 | V | 86.1 | Confident | 79.2 | Confident | 81 Ų | 81 | 75.9 Ų | 75.9 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 176.6 | 172 | 0 | 0 | 0 | 0 | 111.3 | Y429 I452 G459 M460 | Y429-V456 HydrophobicContact CE1-CG1 4.41Å; I452-V456 HydrophobicContact CG2-CG2 4.25Å; I452-V456 WeakPolarHBondContact O-CB 3.39Å; I452-V456 WeakPolarHBondContact O-CG2 3.44Å; I452-V456 PolarHBondContact O-N 3.49Å; V456-G459 PolarHBondContact O-N 3.21Å; V456-M460 WeakPolarHBondContact O-CB 3.49Å; V456-M460 PolarHBondContact O-N 3.45Å |
| 457 | A | 85.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y429 N432 K453 N454 E455 M460 I461 | Y429-A457 HydrophobicContact CD1-CB 4.12Å; Y429-A457 WeakPolarHBondContact O-CB 3.34Å; N432-A457 HydrophobicContact CB-CB 3.9Å; K453-A457 WeakPolarHBondContact O-CB 3.41Å; K453-A457 PolarHBondContact O-N 3.37Å; N454-A457 PolarHBondContact O-N 2.98Å; E455-A457 PolarHBondContact O-N 3Å; A457-M460 PolarHBondContact O-N 2.9Å; A457-I461 WeakPolarHBondContact O-CD1 3.44Å; A457-I461 WeakPolarHBondContact O-CG1 3.43Å; A457-I461 PolarHBondContact O-N 3.39Å |
| 458 | S | 84.6 | Confident | 83.1 | Confident | 45 Ų | 45 | 69 Ų | 69 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | L433 N454 E455 M460 I461 L462 | L433-S458 VanDerWaalsContact CD2-OG 3.31Å; L433-S458 WeakPolarHBondContact CD2-OG 3.19Å; N454-S458 WeakPolarHBondContact O-CB 3.46Å; N454-S458 PolarHBondContact O-N 3.15Å; N454-S458 PolarHBondContact O-OG 2.75Å; E455-S458 PolarHBondContact O-N 3.17Å; S458-M460 PolarHBondContact O-N 3.34Å; S458-I461 PolarHBondContact O-N 3.41Å; S458-L462 WeakPolarHBondContact O-CB 3.31Å; S458-L462 PolarHBondContact O-N 2.89Å |
| 459 | G | 89 | Confident | 84.9 | Confident | 35 Ų | 35 | 68.3 Ų | 68.3 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E455 V456 I461 L462 V463 | E455-G459 PolarHBondContact O-N 3.39Å; V456-G459 PolarHBondContact O-N 3.21Å; G459-I461 PolarHBondContact O-N 3Å; G459-L462 PolarHBondContact O-N 3.15Å; G459-V463 VanDerWaalsContact O-CG2 3.27Å; G459-V463 WeakPolarHBondContact O-CG2 3.19Å; G459-V463 PolarHBondContact O-N 3.27Å |
| 460 | M | 88.4 | Confident | 86 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 30% | 0.296 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 179.6 | -171.8 | 62.2 | -174.6 | 0 | 0 | 112.6 | V425 Y429 V456 A457 S458 V463 M464 | V425-M460 HydrophobicContact CG1-CE 3.64Å; V425-M460 HydrophobicContact CG1-CG 4.25Å; Y429-M460 HydrophobicContact CD1-CB 4.28Å; Y429-M460 HydrophobicContact CD2-CB 4.12Å; Y429-M460 HydrophobicContact CD2-CG 3.61Å; Y429-M460 HydrophobicContact CE1-CB 4.37Å; Y429-M460 HydrophobicContact CE1-CG 4.43Å; Y429-M460 HydrophobicContact CE2-CB 4.27Å; Y429-M460 HydrophobicContact CE2-CG 3.53Å; Y429-M460 HydrophobicContact CG-CB 4.15Å; Y429-M460 HydrophobicContact CG-CG 4.15Å; V456-M460 WeakPolarHBondContact O-CB 3.49Å; V456-M460 PolarHBondContact O-N 3.45Å; A457-M460 PolarHBondContact O-N 2.9Å; S458-M460 PolarHBondContact O-N 3.34Å; M460-V463 PolarHBondContact O-N 2.87Å; M460-M464 HydrophobicContact CE-CE 4.36Å; M460-M464 WeakPolarHBondContact O-CB 3.43Å; M460-M464 PolarHBondContact O-N 3.46Å |
| 461 | I | 88.6 | Confident | 87.4 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.1 | -71.2 | 162.4 | 0 | 0 | 0 | 110.7 | L426 M430 L433 A457 S458 G459 M464 A465 | L426-I461 HydrophobicContact CD2-CG1 4.14Å; M430-I461 HydrophobicContact CG-CD1 3.7Å; L433-I461 HydrophobicContact CD1-CD1 3.26Å; L433-I461 HydrophobicContact CG-CD1 4.34Å; A457-I461 WeakPolarHBondContact O-CD1 3.44Å; A457-I461 WeakPolarHBondContact O-CG1 3.43Å; A457-I461 PolarHBondContact O-N 3.39Å; S458-I461 PolarHBondContact O-N 3.41Å; G459-I461 PolarHBondContact O-N 3Å; I461-M464 PolarHBondContact O-N 3.27Å; I461-A465 WeakPolarHBondContact O-CB 3.41Å; I461-A465 PolarHBondContact O-N 3.33Å |
| 462 | L | 90.1 | Very high | 88.4 | Confident | 124 Ų | 124 | 63.1 Ų | 63.1 | 65% | 0.649 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 175.5 | -168.9 | 157.5 | 0 | 0 | 0 | 111.2 | S458 G459 M464 A465 F466 | S458-L462 WeakPolarHBondContact O-CB 3.31Å; S458-L462 PolarHBondContact O-N 2.89Å; G459-L462 PolarHBondContact O-N 3.15Å; L462-M464 PolarHBondContact O-N 3.29Å; L462-A465 PolarHBondContact O-N 3.05Å; L462-F466 WeakPolarHBondContact O-CB 3.38Å; L462-F466 PolarHBondContact O-N 3.3Å |
| 463 | V | 91.8 | Very high | 89.3 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 38% | 0.382 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.7 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | G459 M460 F466 F467 | G459-V463 VanDerWaalsContact O-CG2 3.27Å; G459-V463 WeakPolarHBondContact O-CG2 3.19Å; G459-V463 PolarHBondContact O-N 3.27Å; M460-V463 PolarHBondContact O-N 2.87Å; V463-F466 WeakPolarHBondContact O-CB 3.45Å; V463-F466 PolarHBondContact O-N 3.26Å; V463-F467 HydrophobicContact CG1-CD2 3.71Å; V463-F467 HydrophobicContact CG1-CE2 3.32Å; V463-F467 HydrophobicContact CG1-CZ 4.27Å; V463-F467 WeakPolarHBondContact O-CD2 3.2Å; V463-F467 PolarHBondContact O-N 3.31Å |
| 464 | M | 91.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.02 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 176.8 | -172.4 | 58.7 | 67.5 | 0 | 0 | 111.8 | M370 V422 V425 L426 M460 I461 L462 F467 L468 | M370-M464 HydrophobicContact SD-CE 4.15Å; V422-M464 HydrophobicContact CB-SD 4.44Å; V422-M464 HydrophobicContact CG1-CG 3.96Å; V422-M464 HydrophobicContact CG1-SD 3.84Å; V422-M464 HydrophobicContact CG2-CE 4.35Å; V422-M464 HydrophobicContact CG2-SD 3.88Å; V425-M464 HydrophobicContact CB-CE 4.38Å; V425-M464 HydrophobicContact CG1-CE 3.94Å; L426-M464 HydrophobicContact CD2-CB 4.28Å; L426-M464 HydrophobicContact CD2-CG 4.05Å; L426-M464 HydrophobicContact CG-CG 4.41Å; M460-M464 HydrophobicContact CE-CE 4.36Å; M460-M464 WeakPolarHBondContact O-CB 3.43Å; M460-M464 PolarHBondContact O-N 3.46Å; I461-M464 PolarHBondContact O-N 3.27Å; L462-M464 PolarHBondContact O-N 3.29Å; M464-F467 PolarHBondContact O-N 3Å; M464-L468 HydrophobicContact CG-CD1 4.37Å; M464-L468 WeakPolarHBondContact O-CG 3.3Å; M464-L468 PolarHBondContact O-N 3.22Å |
| 465 | A | 90.9 | Very high | 90.9 | Very high | 44 Ų | 44 | 61 Ų | 61 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I461 L462 F467 L468 I469 | I461-A465 WeakPolarHBondContact O-CB 3.41Å; I461-A465 PolarHBondContact O-N 3.33Å; L462-A465 PolarHBondContact O-N 3.05Å; A465-F467 PolarHBondContact O-N 3.13Å; A465-L468 PolarHBondContact O-N 3.49Å; A465-I469 VanDerWaalsContact O-CG1 3.26Å; A465-I469 WeakPolarHBondContact O-CG1 3.36Å; A465-I469 PolarHBondContact O-N 3.14Å |
| 466 | F | 93.6 | Very high | 91.4 | Very high | 123 Ų | 123 | 56.9 Ų | 56.9 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.9 | -48.7 | 174.4 | 176.9 | -97.9 | 0 | 0 | 0 | 111.4 | L462 V463 L468 I469 T470 | L462-F466 WeakPolarHBondContact O-CB 3.38Å; L462-F466 PolarHBondContact O-N 3.3Å; V463-F466 WeakPolarHBondContact O-CB 3.45Å; V463-F466 PolarHBondContact O-N 3.26Å; F466-L468 VanDerWaalsContact C-N 3.34Å; F466-L468 PolarHBondContact O-N 2.87Å; F466-I469 WeakPolarHBondContact O-CB 3.3Å; F466-I469 PolarHBondContact O-N 3.27Å; F466-T470 PolarHBondContact O-N 2.97Å; F466-T470 PolarHBondContact O-OG1 2.91Å; F466-T470 VanDerWaalsContact O-OG1 3.09Å |
| 467 | F | 93.2 | Very high | 91.8 | Very high | 95 Ų | 95 | 60 Ų | 60 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 177.5 | -74.4 | -52.1 | 0 | 0 | 0 | 113.4 | L366 V463 M464 A465 I469 T470 Y471 | L366-F467 HydrophobicContact CD1-CB 3.97Å; L366-F467 HydrophobicContact CD1-CG 4.25Å; L366-F467 HydrophobicContact CD2-CB 3.99Å; V463-F467 HydrophobicContact CG1-CD2 3.71Å; V463-F467 HydrophobicContact CG1-CE2 3.32Å; V463-F467 HydrophobicContact CG1-CZ 4.27Å; V463-F467 WeakPolarHBondContact O-CD2 3.2Å; V463-F467 PolarHBondContact O-N 3.31Å; M464-F467 PolarHBondContact O-N 3Å; A465-F467 PolarHBondContact O-N 3.13Å; F467-I469 VanDerWaalsContact C-N 3.35Å; F467-T470 PolarHBondContact O-N 2.73Å; F467-Y471 VanDerWaalsContact O-CB 3.31Å; F467-Y471 WeakPolarHBondContact O-CB 3.45Å; F467-Y471 PolarHBondContact O-N 2.86Å |
| 468 | L | 93.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 60 Ų | 60 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 175.7 | -69.4 | 171.9 | 0 | 0 | 0 | 112.4 | M150 L366 M464 A465 F466 Y471 T472 | M150-L468 HydrophobicContact CE-CD2 3.83Å; L366-L468 HydrophobicContact CD2-CD2 4Å; M464-L468 HydrophobicContact CG-CD1 4.37Å; M464-L468 WeakPolarHBondContact O-CG 3.3Å; M464-L468 PolarHBondContact O-N 3.22Å; A465-L468 PolarHBondContact O-N 3.49Å; F466-L468 VanDerWaalsContact C-N 3.34Å; F466-L468 PolarHBondContact O-N 2.87Å; L468-Y471 PolarHBondContact O-N 2.99Å; L468-T472 PolarHBondContact O-N 2.83Å; L468-T472 VanDerWaalsContact O-N 3.09Å; L468-T472 PolarHBondContact O-OG1 3.48Å |
| 469 | I | 93.7 | Very high | 92.6 | Very high | 93 Ų | 93 | 58 Ų | 58 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.9 | -50.7 | 173.8 | -69.5 | 165.3 | 0 | 0 | 0 | 109.9 | A465 F466 F467 Y471 T472 F473 | A465-I469 VanDerWaalsContact O-CG1 3.26Å; A465-I469 WeakPolarHBondContact O-CG1 3.36Å; A465-I469 PolarHBondContact O-N 3.14Å; F466-I469 WeakPolarHBondContact O-CB 3.3Å; F466-I469 PolarHBondContact O-N 3.27Å; F467-I469 VanDerWaalsContact C-N 3.35Å; I469-Y471 PolarHBondContact O-N 3.19Å; I469-T472 PolarHBondContact O-N 2.98Å; I469-T472 VanDerWaalsContact O-N 3.08Å; I469-F473 HydrophobicContact CG2-CD2 3.65Å; I469-F473 HydrophobicContact CG2-CE2 3.44Å; I469-F473 VanDerWaalsContact CG2-CE2 3.44Å; I469-F473 VanDerWaalsContact O-CD2 3.27Å; I469-F473 WeakPolarHBondContact O-CD2 3.34Å; I469-F473 PolarHBondContact O-N 3.41Å |
| 470 | T | 93.7 | Very high | 92.6 | Very high | 49 Ų | 49 | 57.1 Ų | 57.1 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.7 | -37.5 | 175.9 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | F466 F467 T472 F473 H474 | F466-T470 PolarHBondContact O-N 2.97Å; F466-T470 PolarHBondContact O-OG1 2.91Å; F466-T470 VanDerWaalsContact O-OG1 3.09Å; F467-T470 PolarHBondContact O-N 2.73Å; T470-T472 VanDerWaalsContact C-N 3.34Å; T470-T472 PolarHBondContact O-N 2.91Å; T470-F473 PolarHBondContact O-N 3.39Å; T470-H474 WeakPolarHBondContact O-CB 3.36Å; T470-H474 PolarHBondContact O-N 2.8Å |
| 471 | Y | 94.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 58 Ų | 58 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 174.6 | 174.1 | -104.9 | 0 | 0 | 0 | 112.1 | M150 V153 V154 Q365 L366 L367 F467 L468 I469 S475 | M150-Y471 HydrophobicContact CG-CE1 4.46Å; M150-Y471 PolarHBondContact O-OH 3.5Å; M150-Y471 VanDerWaalsContact O-OH 3.07Å; V153-Y471 HydrophobicContact CG2-CD1 4.29Å; V153-Y471 HydrophobicContact CG2-CE1 3.53Å; V154-Y471 WeakPolarHBondContact CA-OH 3.13Å; V154-Y471 WeakPolarHBondContact CB-OH 3.06Å; Q365-Y471 HydrophobicContact CB-CD2 4.37Å; Q365-Y471 VanDerWaalsContact OE1-CA 3.26Å; L366-Y471 HydrophobicContact CB-CD2 4.18Å; L367-Y471 HydrophobicContact CD1-CE2 4.22Å; L367-Y471 HydrophobicContact CG-CE2 4.09Å; F467-Y471 VanDerWaalsContact O-CB 3.31Å; F467-Y471 WeakPolarHBondContact O-CB 3.45Å; F467-Y471 PolarHBondContact O-N 2.86Å; L468-Y471 PolarHBondContact O-N 2.99Å; I469-Y471 PolarHBondContact O-N 3.19Å; Y471-S475 VanDerWaalsContact O-CB 3.22Å; Y471-S475 WeakPolarHBondContact O-CB 3.49Å; Y471-S475 PolarHBondContact O-N 3.26Å; Y471-S475 PolarHBondContact O-OG 3.15Å |
| 472 | T | 93.4 | Very high | 92.6 | Very high | 63 Ų | 63 | 58.2 Ų | 58.2 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | -180 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | L468 I469 T470 T476 | L468-T472 PolarHBondContact O-N 2.83Å; L468-T472 VanDerWaalsContact O-N 3.09Å; L468-T472 PolarHBondContact O-OG1 3.48Å; I469-T472 PolarHBondContact O-N 2.98Å; I469-T472 VanDerWaalsContact O-N 3.08Å; T470-T472 VanDerWaalsContact C-N 3.34Å; T470-T472 PolarHBondContact O-N 2.91Å; T472-T476 WeakPolarHBondContact O-CB 3.39Å; T472-T476 PolarHBondContact O-N 3Å; T472-T476 PolarHBondContact O-OG1 3.18Å |
| 473 | F | 94.5 | Very high | 92.6 | Very high | 151 Ų | 151 | 55.2 Ų | 55.2 | 66% | 0.662 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.6 | -48.5 | 176.4 | -81.4 | -67.3 | 0 | 0 | 0 | 112.5 | I469 T470 S475 T476 W477 | I469-F473 HydrophobicContact CG2-CD2 3.65Å; I469-F473 HydrophobicContact CG2-CE2 3.44Å; I469-F473 VanDerWaalsContact CG2-CE2 3.44Å; I469-F473 VanDerWaalsContact O-CD2 3.27Å; I469-F473 WeakPolarHBondContact O-CD2 3.34Å; I469-F473 PolarHBondContact O-N 3.41Å; T470-F473 PolarHBondContact O-N 3.39Å; F473-S475 PolarHBondContact O-N 3.49Å; F473-T476 PolarHBondContact O-N 3.18Å; F473-W477 WeakPolarHBondContact O-CB 3.48Å; F473-W477 PolarHBondContact O-N 3.17Å |
| 474 | H | 95.5 | Very high | 92.3 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 13% | 0.125 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 176.1 | 174.6 | 79.6 | 0 | 0 | 0 | 111.5 | F362 Q365 T470 T476 W477 V478 | F362-H474 PolarHBondContact O-NE2 2.98Å; Q365-H474 VanDerWaalsContact CD-CB 3.47Å; Q365-H474 VanDerWaalsContact CD-CG 3.43Å; Q365-H474 PolarHBondContact OE1-CD2 3.48Å; T470-H474 WeakPolarHBondContact O-CB 3.36Å; T470-H474 PolarHBondContact O-N 2.8Å; H474-T476 VanDerWaalsContact C-N 3.29Å; H474-T476 PolarHBondContact O-N 3.08Å; H474-W477 PolarHBondContact O-N 3.24Å; H474-W477 VanDerWaalsContact O-N 3.16Å; H474-V478 VanDerWaalsContact CE1-CG2 3.41Å; H474-V478 WeakPolarHBondContact CE1-CG2 3.31Å; H474-V478 WeakPolarHBondContact NE2-CG2 3.23Å; H474-V478 WeakPolarHBondContact O-CB 2.87Å; H474-V478 WeakPolarHBondContact O-CG2 3.28Å; H474-V478 PolarHBondContact O-N 3.28Å |
| 475 | S | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | -179.6 | -63 | 0 | 0 | 0 | 0 | 112.1 | V153 Y471 F473 T479 | V153-S475 VanDerWaalsContact O-CB 3.27Å; V153-S475 WeakPolarHBondContact O-CB 3.27Å; Y471-S475 VanDerWaalsContact O-CB 3.22Å; Y471-S475 WeakPolarHBondContact O-CB 3.49Å; Y471-S475 PolarHBondContact O-N 3.26Å; Y471-S475 PolarHBondContact O-OG 3.15Å; F473-S475 PolarHBondContact O-N 3.49Å; S475-T479 VanDerWaalsContact O-CB 3.31Å; S475-T479 WeakPolarHBondContact O-CB 3.37Å; S475-T479 PolarHBondContact O-N 2.73Å; S475-T479 PolarHBondContact O-OG1 3.4Å |
| 476 | T | 93.6 | Very high | 91.5 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 31% | 0.307 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | F36 T472 F473 H474 T479 S480 | F36-T476 HydrophobicContact CE2-CG2 4.43Å; F36-T476 HydrophobicContact CZ-CG2 4.12Å; T472-T476 WeakPolarHBondContact O-CB 3.39Å; T472-T476 PolarHBondContact O-N 3Å; T472-T476 PolarHBondContact O-OG1 3.18Å; F473-T476 PolarHBondContact O-N 3.18Å; H474-T476 VanDerWaalsContact C-N 3.29Å; H474-T476 PolarHBondContact O-N 3.08Å; T476-T479 PolarHBondContact O-N 2.66Å; T476-S480 WeakPolarHBondContact O-CB 3.37Å; T476-S480 PolarHBondContact O-N 2.99Å |
| 477 | W | 94.6 | Very high | 90.9 | Very high | 146 Ų | 146 | 48.4 Ų | 48.4 | 55% | 0.553 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.9 | -49.4 | 178.4 | 173.3 | 72.1 | 0 | 0 | 0 | 112.3 | F362 F473 H474 T479 S480 E481 | F362-W477 HydrophobicContact CE2-CH2 4.42Å; F362-W477 HydrophobicContact CE2-CZ3 4.01Å; F473-W477 WeakPolarHBondContact O-CB 3.48Å; F473-W477 PolarHBondContact O-N 3.17Å; H474-W477 PolarHBondContact O-N 3.24Å; H474-W477 VanDerWaalsContact O-N 3.16Å; W477-T479 VanDerWaalsContact C-N 3.32Å; W477-T479 PolarHBondContact O-N 3.18Å; W477-S480 PolarHBondContact O-N 3.09Å; W477-E481 PolarHBondContact O-N 2.97Å |
| 478 | V | 94.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | P155 F362 H474 S480 A482 Y483 | P155-V478 HydrophobicContact CB-CB 4.33Å; P155-V478 HydrophobicContact CB-CG1 3.75Å; P155-V478 HydrophobicContact CG-CB 4.2Å; P155-V478 HydrophobicContact CG-CG1 4.15Å; F362-V478 HydrophobicContact CD1-CG1 4.09Å; F362-V478 HydrophobicContact CD2-CG2 4.23Å; F362-V478 HydrophobicContact CE1-CB 4.45Å; F362-V478 HydrophobicContact CE1-CG1 3.42Å; F362-V478 VanDerWaalsContact CE1-CG1 3.42Å; F362-V478 HydrophobicContact CE1-CG2 4.26Å; F362-V478 HydrophobicContact CE2-CG1 4.39Å; F362-V478 HydrophobicContact CE2-CG2 3.77Å; F362-V478 HydrophobicContact CZ-CB 4.21Å; F362-V478 HydrophobicContact CZ-CG1 3.6Å; F362-V478 HydrophobicContact CZ-CG2 3.78Å; H474-V478 VanDerWaalsContact CE1-CG2 3.41Å; H474-V478 WeakPolarHBondContact CE1-CG2 3.31Å; H474-V478 WeakPolarHBondContact NE2-CG2 3.23Å; H474-V478 WeakPolarHBondContact O-CB 2.87Å; H474-V478 WeakPolarHBondContact O-CG2 3.28Å; H474-V478 PolarHBondContact O-N 3.28Å; V478-S480 VanDerWaalsContact C-N 3.34Å; V478-S480 PolarHBondContact O-N 2.79Å; V478-A482 HydrophobicContact CG1-CB 4.38Å; V478-A482 WeakPolarHBondContact O-CB 3.41Å; V478-A482 PolarHBondContact O-N 3.31Å; V478-Y483 HydrophobicContact CG1-CD2 3.81Å; V478-Y483 HydrophobicContact CG1-CE2 3.51Å; V478-Y483 PolarHBondContact O-N 2.64Å |
| 479 | T | 92.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -60 | -46.2 | 177.8 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | T33 F36 I158 S475 T476 W477 S484 | T33-T479 VanDerWaalsContact O-CG2 3.24Å; T33-T479 WeakPolarHBondContact O-CG2 3.1Å; F36-T479 HydrophobicContact CD2-CG2 3.92Å; F36-T479 HydrophobicContact CE2-CG2 4.3Å; I158-T479 HydrophobicContact CD1-CG2 4.42Å; I158-T479 WeakPolarHBondContact CD1-OG1 3.2Å; I158-T479 HydrophobicContact CG2-CG2 3.59Å; S475-T479 VanDerWaalsContact O-CB 3.31Å; S475-T479 WeakPolarHBondContact O-CB 3.37Å; S475-T479 PolarHBondContact O-N 2.73Å; S475-T479 PolarHBondContact O-OG1 3.4Å; T476-T479 PolarHBondContact O-N 2.66Å; W477-T479 VanDerWaalsContact C-N 3.32Å; W477-T479 PolarHBondContact O-N 3.18Å; T479-S484 VanDerWaalsContact O-CB 3.25Å; T479-S484 WeakPolarHBondContact O-CB 3.45Å; T479-S484 PolarHBondContact O-N 3.08Å; T479-S484 VanDerWaalsContact O-N 3.17Å; T479-S484 PolarHBondContact O-OG 3.48Å |
| 480 | S | 89.8 | Confident | 89.5 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -65.4 | -42.7 | -177.7 | 171 | 0 | 0 | 0 | 0 | 113.2 | R40 T476 W477 V478 | R40-S480 PolarHBondContact NH1-O 3.34Å; R40-S480 PolarHBondContact NH2-O 2.8Å; R40-S480 PolarHBondContact NH2-OG 3.22Å; T476-S480 WeakPolarHBondContact O-CB 3.37Å; T476-S480 PolarHBondContact O-N 2.99Å; W477-S480 PolarHBondContact O-N 3.09Å; V478-S480 VanDerWaalsContact C-N 3.34Å; V478-S480 PolarHBondContact O-N 2.79Å |
| 481 | E | 88.4 | Confident | 88.9 | Confident | 77 Ų | 77 | 40.1 Ų | 40.1 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -97.6 | -36.5 | -172.6 | -65.4 | -56.9 | 105.6 | 0 | 0 | 114 | R40 W477 R493 | R40-E481 IonicContact CZ-OE1 2.8Å; R40-E481 IonicContact NH1-OE1 2.67Å; R40-E481 IonicContact NH2-OE1 3.11Å; R40-E481 PolarHBondContact NH2-OE1 2.88Å; W477-E481 PolarHBondContact O-N 2.97Å; E481-R493 IonicContact OE2-NH2 3.76Å; E481-R493 PolarHBondContact OE2-NH2 3.04Å |
| 482 | A | 88.6 | Confident | 88.3 | Confident | 47 Ų | 47 | 41.7 Ų | 41.7 | 39% | 0.388 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -95.7 | -48.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F362 V478 | F362-A482 HydrophobicContact CE1-CB 4Å; F362-A482 HydrophobicContact CZ-CB 3.81Å; V478-A482 HydrophobicContact CG1-CB 4.38Å; V478-A482 WeakPolarHBondContact O-CB 3.41Å; V478-A482 PolarHBondContact O-N 3.31Å |
| 483 | Y | 89.4 | Confident | 87.6 | Confident | 60 Ų | 60 | 46.9 Ų | 46.9 | 24% | 0.235 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -96.6 | -12.4 | -171.2 | -62.8 | -57.6 | 0 | 0 | 0 | 114.9 | P155 S159 F362 D363 V478 S485 | P155-Y483 HydrophobicContact CB-CE2 3.96Å; S159-Y483 VanDerWaalsContact CB-CE1 3.43Å; F362-Y483 HydrophobicContact CE1-CE2 4.42Å; D363-Y483 PolarHBondContact OD1-OH 3.25Å; V478-Y483 HydrophobicContact CG1-CD2 3.81Å; V478-Y483 HydrophobicContact CG1-CE2 3.51Å; V478-Y483 PolarHBondContact O-N 2.64Å; Y483-S485 VanDerWaalsContact C-N 3.34Å; Y483-S485 PolarHBondContact O-N 3.17Å |
| 484 | S | 86.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -97.2 | 38.9 | -176.5 | -60.2 | 0 | 0 | 0 | 0 | 113.7 | F36 T479 | F36-S484 WeakPolarHBondContact CB-OG 3.28Å; T479-S484 VanDerWaalsContact O-CB 3.25Å; T479-S484 WeakPolarHBondContact O-CB 3.45Å; T479-S484 PolarHBondContact O-N 3.08Å; T479-S484 VanDerWaalsContact O-N 3.17Å; T479-S484 PolarHBondContact O-OG 3.48Å |
| 485 | S | 81.2 | Confident | 86.1 | Confident | 60 Ų | 60 | 44 Ų | 44 | 42% | 0.42 | 26% | 0.259 | S | S | . | . | trans | -117.8 | 119.2 | -178.5 | -64.9 | 0 | 0 | 0 | 0 | 110.2 | Y483 | Y483-S485 VanDerWaalsContact C-N 3.34Å; Y483-S485 PolarHBondContact O-N 3.17Å | ||
| 486 | P | 83 | Confident | 85.7 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | trans | -69.9 | 146.5 | 178.6 | 26.8 | -31.6 | 0 | 0 | 0 | 111.6 | F41 H46 V489 | F41-P486 HydrophobicContact CB-CG 4.43Å; F41-P486 HydrophobicContact CD1-CG 4.02Å; F41-P486 VanDerWaalsContact CD2-CD 3.44Å; F41-P486 HydrophobicContact CD2-CG 3.64Å; F41-P486 HydrophobicContact CE1-CG 4.12Å; F41-P486 HydrophobicContact CE2-CG 3.77Å; F41-P486 HydrophobicContact CG-CG 3.78Å; F41-P486 HydrophobicContact CZ-CG 4Å; H46-P486 WeakPolarHBondContact ND1-CB 3.33Å; P486-V489 HydrophobicContact CG-CB 4.24Å; P486-V489 WeakPolarHBondContact CG-O 3.35Å | ||
| 487 | S | 81.2 | Confident | 85.2 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -84.2 | -20.9 | 177.8 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | E47 | E47-S487 VanDerWaalsContact CA-OG 3.32Å; E47-S487 WeakPolarHBondContact CA-OG 3.43Å; E47-S487 PolarHBondContact N-OG 3.39Å |
| 488 | I | 82.4 | Confident | 84.8 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -84.9 | -42.7 | -178 | -59.2 | 107.8 | 0 | 0 | 0 | 111.6 | I45 Y51 F505 R506 M535 | I45-I488 WeakPolarHBondContact O-CD1 3.43Å; Y51-I488 HydrophobicContact CE2-CD1 3.81Å; Y51-I488 HydrophobicContact CE2-CG1 4.08Å; Y51-I488 WeakPolarHBondContact OH-CD1 3.26Å; Y51-I488 WeakPolarHBondContact OH-CG1 3.3Å; I488-F505 HydrophobicContact CG2-CB 4.36Å; I488-R506 HydrophobicContact CG2-CG 3.44Å; I488-R506 VanDerWaalsContact CG2-CG 3.44Å; I488-M535 HydrophobicContact CG1-CE 3.89Å; I488-M535 HydrophobicContact CG2-CE 3.9Å |
| 489 | V | 83.4 | Confident | 84.2 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.055 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -105.2 | 103.2 | -176.9 | 178.8 | 0 | 0 | 0 | 0 | 106.7 | F41 P486 I501 | F41-V489 HydrophobicContact CD1-CG1 4.37Å; P486-V489 HydrophobicContact CG-CB 4.24Å; P486-V489 WeakPolarHBondContact CG-O 3.35Å; V489-I501 HydrophobicContact CG1-CG2 3.2Å |
| 490 | L | 84 | Confident | 83.8 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 17% | 0.173 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 142.9 | 179.6 | -55.3 | 176.4 | 0 | 0 | 0 | 108.7 | I501 F502 F505 Y588 L688 | L490-I501 CarbonylContact O-C 3.23Å; L490-I501 WeakPolarHBondContact O-CA 3.43Å; L490-F502 HydrophobicContact CB-CB 4.2Å; L490-F502 HydrophobicContact CB-CD2 4.31Å; L490-F502 PolarHBondContact N-O 2.83Å; L490-F502 PolarHBondContact O-N 3.21Å; L490-F505 HydrophobicContact CD1-CE2 4.01Å; L490-F505 HydrophobicContact CG-CE2 4.35Å; L490-Y588 HydrophobicContact CD1-CD2 3.56Å; L490-Y588 HydrophobicContact CD1-CE2 3.55Å; L490-Y588 HydrophobicContact CD1-CG 4.28Å; L490-Y588 HydrophobicContact CD2-CE2 3.96Å; L490-Y588 HydrophobicContact CG-CE2 4.42Å; L490-L688 HydrophobicContact CD1-CD1 4.04Å |
| 491 | S | 82.9 | Confident | 83.6 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.7 | 174.8 | 70.2 | 0 | 0 | 0 | 0 | 110.4 | I500 | S491-I500 WeakPolarHBondContact CA-O 3.25Å |
| 492 | A | 80.6 | Confident | 83.6 | Confident | 39 Ų | 39 | 57 Ų | 57 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 156.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | I500 F502 | A492-I500 PolarHBondContact N-O 3.45Å; A492-I500 PolarHBondContact O-N 3.14Å; A492-F502 HydrophobicContact CB-CE2 3.61Å; A492-F502 HydrophobicContact CB-CZ 4.36Å |
| 493 | R | 79.5 | Confident | 83.7 | Confident | 172 Ų | 172 | 57.1 Ų | 57.1 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.7 | 171 | -64.2 | -175 | -173.6 | 173.7 | 5.6 | 108.3 | E481 S498 | E481-R493 IonicContact OE2-NH2 3.76Å; E481-R493 PolarHBondContact OE2-NH2 3.04Å; R493-S498 CarbonylContact C-O 3.57Å; R493-S498 WeakPolarHBondContact CA-O 3.36Å |
| 494 | G | 78 | Confident | 83.9 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 19% | 0.186 | 33% | 0.325 | C | S | . | . | trans | -63.3 | 164.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D496 G497 S498 | G494-D496 PolarHBondContact O-N 3.36Å; G494-G497 PolarHBondContact O-N 3.5Å; G494-S498 PolarHBondContact N-O 3.03Å | ||
| 495 | G | 80.9 | Confident | 84.3 | Confident | 98 Ų | 98 | 54.6 Ų | 54.6 | 100% | 1.01 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | G497 | G495-G497 VanDerWaalsContact C-N 3.33Š|
| 496 | D | 85.1 | Confident | 84.8 | Confident | 130 Ų | 130 | 53.7 Ų | 53.7 | 70% | 0.695 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -3.7 | 174.3 | 64.1 | -18.5 | 0 | 0 | 0 | 113.5 | G494 S498 | G494-D496 PolarHBondContact O-N 3.36Å; D496-S498 VanDerWaalsContact C-N 3.3Å; D496-S498 VanDerWaalsContact CG-OG 3.27Å; D496-S498 VanDerWaalsContact OD1-CB 3.25Å; D496-S498 WeakPolarHBondContact OD1-CB 3.44Å; D496-S498 PolarHBondContact OD1-N 3.1Å; D496-S498 PolarHBondContact OD1-OG 3.38Å; D496-S498 WeakPolarHBondContact OD2-CB 3.26Å; D496-S498 PolarHBondContact OD2-OG 3.22Å |
| 497 | G | 83.4 | Confident | 85.4 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 53% | 0.526 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 83 | 0.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G494 G495 | G494-G497 PolarHBondContact O-N 3.5Å; G495-G497 VanDerWaalsContact C-N 3.33Å |
| 498 | S | 85.9 | Confident | 86.2 | Confident | 51 Ų | 51 | 54.8 Ų | 54.8 | 36% | 0.357 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 147.7 | 171.4 | 67.9 | 0 | 0 | 0 | 0 | 110.4 | R493 G494 D496 | R493-S498 CarbonylContact C-O 3.57Å; R493-S498 WeakPolarHBondContact CA-O 3.36Å; G494-S498 PolarHBondContact N-O 3.03Å; D496-S498 VanDerWaalsContact C-N 3.3Å; D496-S498 VanDerWaalsContact CG-OG 3.27Å; D496-S498 VanDerWaalsContact OD1-CB 3.25Å; D496-S498 WeakPolarHBondContact OD1-CB 3.44Å; D496-S498 PolarHBondContact OD1-N 3.1Å; D496-S498 PolarHBondContact OD1-OG 3.38Å; D496-S498 WeakPolarHBondContact OD2-CB 3.26Å; D496-S498 PolarHBondContact OD2-OG 3.22Å |
| 499 | R | 81.6 | Confident | 86.8 | Confident | 133 Ų | 133 | 54.7 Ų | 54.7 | 50% | 0.502 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 116.5 | 175.9 | -67.5 | -176.5 | -177.9 | -176.8 | -0.1 | 108.6 | ||
| 500 | I | 83.7 | Confident | 87.4 | Confident | 75 Ų | 75 | 60 Ų | 60 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.7 | 170.7 | -57.8 | 172.1 | 0 | 0 | 0 | 106.7 | S491 A492 F502 | S491-I500 WeakPolarHBondContact CA-O 3.25Å; A492-I500 PolarHBondContact N-O 3.45Å; A492-I500 PolarHBondContact O-N 3.14Å; I500-F502 HydrophobicContact CG2-CE1 4.03Å; I500-F502 HydrophobicContact CG2-CE2 4.28Å; I500-F502 HydrophobicContact CG2-CZ 3.87Å |
| 501 | I | 86 | Confident | 88 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.8 | -179.4 | -63.2 | 176.9 | 0 | 0 | 0 | 107.7 | V489 L490 | V489-I501 HydrophobicContact CG1-CG2 3.2Å; L490-I501 CarbonylContact O-C 3.23Å; L490-I501 WeakPolarHBondContact O-CA 3.43Å |
| 502 | F | 88.3 | Confident | 88.7 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.2 | 172.1 | -52.7 | -80.8 | 0 | 0 | 0 | 108.9 | L490 A492 I500 T586 H686 L688 | L490-F502 HydrophobicContact CB-CB 4.2Å; L490-F502 HydrophobicContact CB-CD2 4.31Å; L490-F502 PolarHBondContact N-O 2.83Å; L490-F502 PolarHBondContact O-N 3.21Å; A492-F502 HydrophobicContact CB-CE2 3.61Å; A492-F502 HydrophobicContact CB-CZ 4.36Å; I500-F502 HydrophobicContact CG2-CE1 4.03Å; I500-F502 HydrophobicContact CG2-CE2 4.28Å; I500-F502 HydrophobicContact CG2-CZ 3.87Å; F502-T586 HydrophobicContact CE1-CG2 4.35Å; F502-H686 HydrophobicContact CD1-CB 4.26Å; F502-H686 AromaticContact CD1-CD2 3.7Å; F502-H686 AromaticContact CD1-CE1 3.77Å; F502-H686 AromaticContact CD1-CG 3.61Å; F502-H686 AromaticContact CD1-ND1 3.64Å; F502-H686 AromaticContact CD1-NE2 3.76Å; F502-H686 AromaticContact CE1-CD2 3.6Å; F502-H686 AromaticContact CE1-CG 3.93Å; F502-H686 AromaticContact CE1-NE2 3.81Å; F502-L688 HydrophobicContact CB-CD1 4.12Å |
| 503 | D | 91.9 | Very high | 89.4 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | trans | -123.2 | 24.1 | -175.1 | -162.3 | 22.3 | 0 | 0 | 0 | 113.3 | F505 R506 E507 | D503-F505 PolarHBondContact O-N 3.32Å; D503-R506 VanDerWaalsContact CG-NH2 3.3Å; D503-R506 PolarHBondContact O-N 3.43Å; D503-R506 VanDerWaalsContact O-N 3.17Å; D503-R506 WeakPolarHBondContact OD1-CB 3.26Å; D503-R506 VanDerWaalsContact OD1-CG 3.31Å; D503-R506 WeakPolarHBondContact OD1-CG 3.22Å; D503-R506 IonicContact OD1-CZ 3.83Å; D503-R506 IonicContact OD1-NE 2.89Å; D503-R506 PolarHBondContact OD1-NE 2.87Å; D503-R506 IonicContact OD1-NH2 3.03Å; D503-R506 PolarHBondContact OD1-NH2 2.67Å; D503-R506 IonicContact OD2-CZ 2.81Å; D503-R506 IonicContact OD2-NE 3.04Å; D503-R506 PolarHBondContact OD2-NE 3.23Å; D503-R506 IonicContact OD2-NH2 2.78Å; D503-R506 PolarHBondContact OD2-NH2 3.16Å; D503-E507 PolarHBondContact O-N 2.93Å; D503-E507 VanDerWaalsContact O-N 3.07Å | ||
| 504 | D | 93.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.011 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -30.8 | -175.6 | -63.8 | 21.2 | 0 | 0 | 0 | 112.8 | E507 A508 T684 H686 L688 | D504-E507 PolarHBondContact O-N 2.97Å; D504-A508 WeakPolarHBondContact O-CB 3.47Å; D504-A508 PolarHBondContact O-N 2.93Å; D504-T684 HydrophobicContact CB-CG2 3.92Å; D504-T684 VanDerWaalsContact O-CG2 3.27Å; D504-T684 WeakPolarHBondContact O-CG2 3.36Å; D504-H686 IonicContact OD1-CE1 3.75Å; D504-H686 IonicContact OD1-CG 2.99Å; D504-H686 IonicContact OD1-ND1 3.58Å; D504-H686 PolarHBondContact OD1-ND1 3.42Å; D504-H686 WeakPolarHBondContact OD2-CA 3.49Å; D504-H686 WeakPolarHBondContact OD2-CB 3.36Å; D504-H686 IonicContact OD2-CG 3.02Å; D504-H686 PolarHBondContact OD2-N 3.26Å; D504-H686 IonicContact OD2-ND1 2.94Å; D504-H686 PolarHBondContact OD2-ND1 3.46Å; D504-L688 HydrophobicContact CB-CB 3.73Å; D504-L688 HydrophobicContact CB-CD1 3.91Å; D504-L688 HydrophobicContact CB-CG 4.33Å; D504-L688 WeakPolarHBondContact OD2-CB 3.14Å; D504-L688 WeakPolarHBondContact OD2-CD1 3.48Å; D504-L688 WeakPolarHBondContact OD2-CG 2.91Å |
| 505 | F | 93.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -52.1 | 176.1 | -75.1 | -86.4 | 0 | 0 | 0 | 111.5 | I488 L490 D503 E507 A508 Y509 I581 Y588 V689 | I488-F505 HydrophobicContact CG2-CB 4.36Å; L490-F505 HydrophobicContact CD1-CE2 4.01Å; L490-F505 HydrophobicContact CG-CE2 4.35Å; D503-F505 PolarHBondContact O-N 3.32Å; F505-E507 VanDerWaalsContact C-N 3.33Å; F505-A508 PolarHBondContact O-N 2.86Å; F505-Y509 HydrophobicContact CB-CD2 4.48Å; F505-Y509 HydrophobicContact CB-CE2 4.12Å; F505-Y509 HydrophobicContact CD1-CE2 4.22Å; F505-Y509 WeakPolarHBondContact O-CB 3.34Å; F505-Y509 WeakPolarHBondContact O-CD2 3.37Å; F505-Y509 PolarHBondContact O-N 3.47Å; F505-I581 HydrophobicContact CD1-CD1 4.45Å; F505-I581 HydrophobicContact CE1-CD1 3.41Å; F505-I581 VanDerWaalsContact CE1-CD1 3.41Å; F505-I581 HydrophobicContact CZ-CD1 3.92Å; F505-Y588 HydrophobicContact CZ-CE1 4.42Å; F505-V689 HydrophobicContact CD1-CG2 4.09Å; F505-V689 HydrophobicContact CE1-CG2 4.38Å; F505-V689 HydrophobicContact CG-CG2 4.42Å |
| 506 | R | 93.2 | Very high | 91.9 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 178.5 | -65.4 | -166.5 | -69.2 | -174.2 | -0.7 | 109.5 | E42 I488 D503 A508 Y509 Y510 M535 | E42-R506 IonicContact OE1-NH1 2.89Å; E42-R506 IonicContact OE1-NH2 2.66Å; E42-R506 IonicContact OE2-CZ 3.17Å; E42-R506 IonicContact OE2-NH1 3.41Å; E42-R506 PolarHBondContact OE2-NH1 3.09Å; E42-R506 IonicContact OE2-NH2 3.8Å; I488-R506 HydrophobicContact CG2-CG 3.44Å; I488-R506 VanDerWaalsContact CG2-CG 3.44Å; D503-R506 VanDerWaalsContact CG-NH2 3.3Å; D503-R506 PolarHBondContact O-N 3.43Å; D503-R506 VanDerWaalsContact O-N 3.17Å; D503-R506 WeakPolarHBondContact OD1-CB 3.26Å; D503-R506 VanDerWaalsContact OD1-CG 3.31Å; D503-R506 WeakPolarHBondContact OD1-CG 3.22Å; D503-R506 IonicContact OD1-CZ 3.83Å; D503-R506 IonicContact OD1-NE 2.89Å; D503-R506 PolarHBondContact OD1-NE 2.87Å; D503-R506 IonicContact OD1-NH2 3.03Å; D503-R506 PolarHBondContact OD1-NH2 2.67Å; D503-R506 IonicContact OD2-CZ 2.81Å; D503-R506 IonicContact OD2-NE 3.04Å; D503-R506 PolarHBondContact OD2-NE 3.23Å; D503-R506 IonicContact OD2-NH2 2.78Å; D503-R506 PolarHBondContact OD2-NH2 3.16Å; R506-A508 PolarHBondContact O-N 3.24Å; R506-Y509 PolarHBondContact O-N 3.48Å; R506-Y510 HydrophobicContact CB-CD2 4.14Å; R506-Y510 HydrophobicContact CB-CE2 4.27Å; R506-Y510 WeakPolarHBondContact O-CB 3.43Å; R506-Y510 WeakPolarHBondContact O-CD2 3.49Å; R506-Y510 PolarHBondContact O-N 3.26Å; R506-M535 HydrophobicContact CG-SD 4.28Å |
| 507 | E | 95.6 | Very high | 92.3 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -50.8 | -54.2 | 176.4 | -171.8 | -161.3 | 148.1 | 0 | 0 | 112 | D503 D504 F505 Y510 W511 Y682 T684 E685 | D503-E507 PolarHBondContact O-N 2.93Å; D503-E507 VanDerWaalsContact O-N 3.07Å; D504-E507 PolarHBondContact O-N 2.97Å; F505-E507 VanDerWaalsContact C-N 3.33Å; E507-Y510 PolarHBondContact O-N 2.96Å; E507-W511 WeakPolarHBondContact O-CB 3.43Å; E507-W511 PolarHBondContact O-N 2.95Å; E507-Y682 HydrophobicContact CG-CE1 4.33Å; E507-Y682 PolarHBondContact OE1-OH 3.23Å; E507-T684 HydrophobicContact CB-CG2 4.46Å; E507-E685 PolarHBondContact OE1-N 3.05Å; E507-E685 PolarHBondContact OE2-N 2.77Å |
| 508 | A | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | D504 F505 R506 W511 L512 T684 V689 I691 | D504-A508 WeakPolarHBondContact O-CB 3.47Å; D504-A508 PolarHBondContact O-N 2.93Å; F505-A508 PolarHBondContact O-N 2.86Å; R506-A508 PolarHBondContact O-N 3.24Å; A508-W511 PolarHBondContact O-N 3.41Å; A508-L512 PolarHBondContact O-N 2.9Å; A508-T684 HydrophobicContact CB-CG2 3.68Å; A508-V689 HydrophobicContact CB-CB 3.69Å; A508-V689 HydrophobicContact CB-CG1 3.51Å; A508-V689 HydrophobicContact CB-CG2 4.27Å; A508-I691 HydrophobicContact CB-CD1 4.14Å |
| 509 | Y | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.7 | -36.6 | 179.5 | -62.4 | -34.8 | 0 | 0 | 0 | 112.2 | F505 R506 L512 R513 Q531 I532 M535 A536 L579 | F505-Y509 HydrophobicContact CB-CD2 4.48Å; F505-Y509 HydrophobicContact CB-CE2 4.12Å; F505-Y509 HydrophobicContact CD1-CE2 4.22Å; F505-Y509 WeakPolarHBondContact O-CB 3.34Å; F505-Y509 WeakPolarHBondContact O-CD2 3.37Å; F505-Y509 PolarHBondContact O-N 3.47Å; R506-Y509 PolarHBondContact O-N 3.48Å; Y509-L512 PolarHBondContact O-N 3.18Å; Y509-R513 WeakPolarHBondContact O-CB 3.5Å; Y509-R513 PolarHBondContact O-N 3.41Å; Y509-Q531 HydrophobicContact CE2-CB 3.91Å; Y509-Q531 PolarHBondContact OH-OE1 3.32Å; Y509-I532 HydrophobicContact CD1-CG1 4.13Å; Y509-I532 HydrophobicContact CE1-CG1 3.54Å; Y509-M535 HydrophobicContact CD2-CB 4.06Å; Y509-M535 HydrophobicContact CD2-CG 4.31Å; Y509-M535 HydrophobicContact CD2-SD 3.52Å; Y509-M535 VanDerWaalsContact CD2-SD 3.52Å; Y509-M535 HydrophobicContact CE2-SD 4.18Å; Y509-M535 HydrophobicContact CG-CB 4.21Å; Y509-M535 HydrophobicContact CG-SD 4.44Å; Y509-A536 WeakPolarHBondContact O-CA 3.44Å; Y509-A536 WeakPolarHBondContact O-CB 3.22Å; Y509-L579 HydrophobicContact CD1-CD1 4.28Å; Y509-L579 HydrophobicContact CE1-CD1 3.87Å |
| 510 | Y | 96 | Very high | 93.7 | Very high | 122 Ų | 122 | 56 Ų | 56 | 48% | 0.478 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 173 | -85.2 | -71.4 | 0 | 0 | 0 | 111.9 | R506 E507 R513 H514 | R506-Y510 HydrophobicContact CB-CD2 4.14Å; R506-Y510 HydrophobicContact CB-CE2 4.27Å; R506-Y510 WeakPolarHBondContact O-CB 3.43Å; R506-Y510 WeakPolarHBondContact O-CD2 3.49Å; R506-Y510 PolarHBondContact O-N 3.26Å; E507-Y510 PolarHBondContact O-N 2.96Å; Y510-R513 WeakPolarHBondContact O-CB 3.35Å; Y510-R513 PolarHBondContact O-N 2.93Å; Y510-H514 AromaticContact CD1-NE2 3.96Å; Y510-H514 PolarHBondContact O-CD2 2.88Å; Y510-H514 VanDerWaalsContact O-CD2 3.27Å; Y510-H514 PolarHBondContact O-N 3.35Å |
| 511 | W | 97.5 | Very high | 94.3 | Very high | 45 Ų | 45 | 54 Ų | 54 | 17% | 0.17 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59 | -48.3 | 172.2 | -177.3 | 96.7 | 0 | 0 | 0 | 111 | E507 A508 R513 H514 N515 T516 Y577 A681 Y682 I691 | E507-W511 WeakPolarHBondContact O-CB 3.43Å; E507-W511 PolarHBondContact O-N 2.95Å; A508-W511 PolarHBondContact O-N 3.41Å; W511-R513 VanDerWaalsContact C-N 3.27Å; W511-R513 PolarHBondContact O-N 2.91Å; W511-H514 PolarHBondContact O-N 3.49Å; W511-N515 HydrophobicContact CD2-CB 4.22Å; W511-N515 HydrophobicContact CZ2-CB 4.19Å; W511-N515 PolarHBondContact NE1-ND2 2.87Å; W511-N515 VanDerWaalsContact NE1-ND2 3.15Å; W511-N515 WeakPolarHBondContact O-CB 3.48Å; W511-N515 PolarHBondContact O-N 2.9Å; W511-N515 PolarHBondContact O-ND2 3.44Å; W511-T516 HydrophobicContact CH2-CG2 4.41Å; W511-T516 HydrophobicContact CZ3-CG2 3.98Å; W511-Y577 HydrophobicContact CH2-CE1 4.36Å; W511-A681 HydrophobicContact CH2-CB 3.8Å; W511-A681 HydrophobicContact CZ2-CB 4.47Å; W511-Y682 HydrophobicContact CB-CD1 4.07Å; W511-Y682 HydrophobicContact CB-CE1 4.05Å; W511-Y682 HydrophobicContact CB-CG 4.36Å; W511-Y682 AromaticContact CD1-CD2 3.25Å; W511-Y682 AromaticContact CD1-CE2 3.34Å; W511-Y682 AromaticContact CD1-CG 3.67Å; W511-Y682 AromaticContact CD1-CZ 3.86Å; W511-Y682 HydrophobicContact CD2-CD1 4.15Å; W511-Y682 AromaticContact CD2-CD2 3.97Å; W511-Y682 HydrophobicContact CD2-CD2 3.97Å; W511-Y682 AromaticContact CD2-CG 3.65Å; W511-Y682 HydrophobicContact CD2-CG 3.65Å; W511-Y682 AromaticContact CE2-CD2 3.71Å; W511-Y682 AromaticContact CE2-CG 3.76Å; W511-Y682 HydrophobicContact CE3-CG 4.24Å; W511-Y682 AromaticContact CG-CD1 3.87Å; W511-Y682 HydrophobicContact CG-CD1 3.87Å; W511-Y682 AromaticContact CG-CD2 3.75Å; W511-Y682 HydrophobicContact CG-CD2 3.75Å; W511-Y682 HydrophobicContact CG-CE1 4.14Å; W511-Y682 HydrophobicContact CG-CE2 4Å; W511-Y682 AromaticContact CG-CG 3.66Å; W511-Y682 HydrophobicContact CG-CG 3.66Å; W511-Y682 HydrophobicContact CZ2-CD2 4.49Å; W511-Y682 HydrophobicContact CZ2-CG 4.44Å; W511-Y682 AromaticContact NE1-CD2 3.23Å; W511-Y682 AromaticContact NE1-CE2 3.74Å; W511-Y682 AromaticContact NE1-CG 3.74Å; W511-I691 HydrophobicContact CE3-CD1 3.67Å; W511-I691 HydrophobicContact CZ3-CB 4.43Å; W511-I691 HydrophobicContact CZ3-CD1 4.06Å; W511-I691 HydrophobicContact CZ3-CG2 3.94Å |
| 512 | L | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.5 | -43.5 | 174.8 | -81.1 | 170 | 0 | 0 | 0 | 111.4 | A508 Y509 H514 T516 V522 A536 R538 L579 I691 | A508-L512 PolarHBondContact O-N 2.9Å; Y509-L512 PolarHBondContact O-N 3.18Å; L512-H514 PolarHBondContact O-N 3.05Å; L512-T516 HydrophobicContact CD2-CG2 3.91Å; L512-T516 WeakPolarHBondContact O-CB 3.32Å; L512-T516 PolarHBondContact O-N 3.05Å; L512-T516 PolarHBondContact O-OG1 2.86Å; L512-V522 HydrophobicContact CD2-CG2 4.28Å; L512-A536 HydrophobicContact CB-CB 3.84Å; L512-A536 HydrophobicContact CD1-CB 4.33Å; L512-R538 PolarHBondContact O-NH2 2.96Å; L512-L579 HydrophobicContact CD1-CD1 3.89Å; L512-I691 HydrophobicContact CD1-CD1 4Å; L512-I691 HydrophobicContact CD2-CD1 4.1Å; L512-I691 HydrophobicContact CD2-CG2 4.07Å; L512-I691 HydrophobicContact CG-CD1 3.67Å |
| 513 | R | 96.2 | Very high | 95.2 | Very high | 95 Ų | 95 | 47.9 Ų | 47.9 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -37.5 | -178.7 | -173.7 | 172.5 | 177.9 | 166.5 | -4.7 | 114 | Y509 Y510 W511 M535 A536 R538 | Y509-R513 WeakPolarHBondContact O-CB 3.5Å; Y509-R513 PolarHBondContact O-N 3.41Å; Y510-R513 WeakPolarHBondContact O-CB 3.35Å; Y510-R513 PolarHBondContact O-N 2.93Å; W511-R513 VanDerWaalsContact C-N 3.27Å; W511-R513 PolarHBondContact O-N 2.91Å; R513-M535 WeakPolarHBondContact CD-O 3.18Å; R513-M535 PolarHBondContact NH1-O 3.38Å; R513-A536 WeakPolarHBondContact CA-O 3.42Å; R513-A536 WeakPolarHBondContact CB-O 3.42Å; R513-A536 WeakPolarHBondContact CG-O 3.42Å; R513-R538 PolarHBondContact O-NH2 2.93Å |
| 514 | H | 96.6 | Very high | 95.3 | Very high | 134 Ų | 134 | 45.6 Ų | 45.6 | 62% | 0.62 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -99.8 | -24.8 | -172 | -71.8 | -66.7 | 0 | 0 | 0 | 114 | Y510 W511 L512 | Y510-H514 AromaticContact CD1-NE2 3.96Å; Y510-H514 PolarHBondContact O-CD2 2.88Å; Y510-H514 VanDerWaalsContact O-CD2 3.27Å; Y510-H514 PolarHBondContact O-N 3.35Å; W511-H514 PolarHBondContact O-N 3.49Å; L512-H514 PolarHBondContact O-N 3.05Å |
| 515 | N | 96.9 | Very high | 95.4 | Very high | 97 Ų | 97 | 45.8 Ų | 45.8 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -112 | 1 | -171.2 | -61 | -44.6 | 0 | 0 | 0 | 114.8 | W511 | W511-N515 HydrophobicContact CD2-CB 4.22Å; W511-N515 HydrophobicContact CZ2-CB 4.19Å; W511-N515 PolarHBondContact NE1-ND2 2.87Å; W511-N515 VanDerWaalsContact NE1-ND2 3.15Å; W511-N515 WeakPolarHBondContact O-CB 3.48Å; W511-N515 PolarHBondContact O-N 2.9Å; W511-N515 PolarHBondContact O-ND2 3.44Å |
| 516 | T | 95.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -117 | 156 | 176.8 | 72.2 | 0 | 0 | 0 | 0 | 111.8 | W511 L512 R538 Y577 | W511-T516 HydrophobicContact CH2-CG2 4.41Å; W511-T516 HydrophobicContact CZ3-CG2 3.98Å; L512-T516 HydrophobicContact CD2-CG2 3.91Å; L512-T516 WeakPolarHBondContact O-CB 3.32Å; L512-T516 PolarHBondContact O-N 3.05Å; L512-T516 PolarHBondContact O-OG1 2.86Å; T516-R538 PolarHBondContact O-NH2 2.56Å; T516-R538 PolarHBondContact OG1-NE 3.07Å; T516-R538 PolarHBondContact OG1-NH2 3.41Å; T516-Y577 HydrophobicContact CG2-CD2 4.1Å; T516-Y577 HydrophobicContact CG2-CE1 4.13Å; T516-Y577 HydrophobicContact CG2-CE2 3.52Å |
| 517 | P | 94.8 | Very high | 95.3 | Very high | 72 Ų | 72 | 46 Ų | 46 | 47% | 0.468 | 22% | 0.217 | S | C | . | . | trans | -56.2 | 148.6 | 170.6 | -24.8 | 34.6 | 0 | 0 | 0 | 112.4 | D519 A520 R538 | P517-D519 VanDerWaalsContact CB-OD1 3.29Å; P517-D519 WeakPolarHBondContact CB-OD1 3.48Å; P517-D519 PolarHBondContact O-N 3.46Å; P517-A520 HydrophobicContact CB-CB 4.48Å; P517-A520 WeakPolarHBondContact O-CB 3.41Å; P517-A520 PolarHBondContact O-N 3.08Å; P517-R538 WeakPolarHBondContact O-CD 3.29Å; P517-R538 PolarHBondContact O-NE 2.95Å | ||
| 518 | E | 92 | Very high | 95.2 | Very high | 146 Ų | 146 | 43.6 Ų | 43.6 | 68% | 0.682 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.7 | -179.2 | -67 | -164 | 161.6 | 0 | 0 | 113.3 | A520 | E518-A520 VanDerWaalsContact C-N 3.31Š|
| 519 | D | 92.9 | Very high | 95 | Very high | 97 Ų | 97 | 43.6 Ų | 43.6 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 7.1 | 178.2 | 76 | -50.8 | 0 | 0 | 0 | 112.8 | P517 K521 | P517-D519 VanDerWaalsContact CB-OD1 3.29Å; P517-D519 WeakPolarHBondContact CB-OD1 3.48Å; P517-D519 PolarHBondContact O-N 3.46Å; D519-K521 WeakPolarHBondContact O-CD 3.32Å; D519-K521 WeakPolarHBondContact O-CE 3.47Å; D519-K521 PolarHBondContact O-N 3.29Å; D519-K521 PolarHBondContact O-NZ 2.67Å; D519-K521 IonicContact OD2-NZ 2.75Å; D519-K521 PolarHBondContact OD2-NZ 3.09Å |
| 520 | A | 94.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | trans | -62.4 | 133.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P517 E518 T539 Y577 | P517-A520 HydrophobicContact CB-CB 4.48Å; P517-A520 WeakPolarHBondContact O-CB 3.41Å; P517-A520 PolarHBondContact O-N 3.08Å; E518-A520 VanDerWaalsContact C-N 3.31Å; A520-T539 PolarHBondContact O-N 3.39Å; A520-Y577 HydrophobicContact CB-CD2 3.99Å; A520-Y577 HydrophobicContact CB-CE2 3.93Å | ||
| 521 | K | 95.7 | Very high | 94.8 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 15% | 0.148 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.6 | -178.3 | -60.3 | 90.7 | -172.9 | 161.2 | 0 | 109.5 | Y78 D519 T539 L541 S576 Y577 | Y78-K521 HydrophobicContact CD1-CG 4.22Å; Y78-K521 HydrophobicContact CE1-CG 4.38Å; Y78-K521 HydrophobicContact CG-CG 4.34Å; D519-K521 WeakPolarHBondContact O-CD 3.32Å; D519-K521 WeakPolarHBondContact O-CE 3.47Å; D519-K521 PolarHBondContact O-N 3.29Å; D519-K521 PolarHBondContact O-NZ 2.67Å; D519-K521 IonicContact OD2-NZ 2.75Å; D519-K521 PolarHBondContact OD2-NZ 3.09Å; K521-T539 WeakPolarHBondContact CA-O 3.14Å; K521-T539 HydrophobicContact CG-CG2 4.12Å; K521-L541 HydrophobicContact CB-CD1 4.07Å; K521-S576 PolarHBondContact N-OG 3.35Å; K521-S576 PolarHBondContact O-N 3.38Å; K521-Y577 PolarHBondContact O-N 3.48Å |
| 522 | V | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.1 | -176.2 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | L512 I532 R538 T539 Y577 L579 | L512-V522 HydrophobicContact CD2-CG2 4.28Å; V522-I532 HydrophobicContact CB-CG2 4.46Å; V522-I532 HydrophobicContact CG1-CD1 4.45Å; V522-R538 HydrophobicContact CG2-CB 4.05Å; V522-T539 PolarHBondContact N-O 3.24Å; V522-Y577 CarbonylContact C-O 3.53Å; V522-Y577 WeakPolarHBondContact CA-O 3.08Å; V522-L579 HydrophobicContact CG1-CB 4.06Å |
| 523 | M | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.9 | 169 | -174.1 | 174.3 | 74 | 0 | 0 | 109.3 | L541 V555 A558 M559 M570 V575 Y577 V578 L579 | M523-L541 HydrophobicContact CB-CD2 4.48Å; M523-V555 HydrophobicContact CG-CG1 4Å; M523-V555 HydrophobicContact SD-CG1 4.33Å; M523-A558 HydrophobicContact CE-CB 4.26Å; M523-A558 HydrophobicContact SD-CB 4.15Å; M523-M559 HydrophobicContact CE-CE 3.88Å; M523-M559 HydrophobicContact CE-SD 4.2Å; M523-M559 HydrophobicContact CG-CE 4.14Å; M523-M570 HydrophobicContact CE-CG 3.64Å; M523-M570 HydrophobicContact CE-SD 3.63Å; M523-M570 HydrophobicContact SD-CG 4.08Å; M523-V575 HydrophobicContact CB-CB 4.47Å; M523-V575 HydrophobicContact CB-CG1 3.57Å; M523-V575 HydrophobicContact CB-CG2 3.97Å; M523-V575 HydrophobicContact SD-CG2 4.2Å; M523-Y577 PolarHBondContact N-O 3.31Å; M523-V578 HydrophobicContact CB-CG2 4.49Å; M523-V578 HydrophobicContact CE-CB 4.38Å; M523-V578 HydrophobicContact CE-CG1 3.67Å; M523-V578 HydrophobicContact CE-CG2 3.78Å; M523-V578 CarbonylContact O-C 3.6Å; M523-V578 WeakPolarHBondContact O-CA 3.38Å; M523-L579 PolarHBondContact O-N 3.49Å |
| 524 | S | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | trans | -148.3 | 170.9 | 175.4 | 63.2 | 0 | 0 | 0 | 0 | 109 | I532 V542 | S524-I532 WeakPolarHBondContact OG-CD1 3.47Å; S524-V542 WeakPolarHBondContact O-CG2 3.14Å | ||
| 525 | W | 95.3 | Very high | 94 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 2% | 0.023 | 15% | 0.15 | C | C | . | . | trans | -68.1 | 151.4 | 169.4 | -165.5 | -120.3 | 0 | 0 | 0 | 111.3 | D527 Y528 I552 M599 I602 | W525-D527 PolarHBondContact NE1-OD1 3.15Å; W525-D527 PolarHBondContact O-N 3.27Å; W525-D527 VanDerWaalsContact O-N 3.08Å; W525-Y528 HydrophobicContact CB-CD2 4.28Å; W525-Y528 HydrophobicContact CB-CE2 4.02Å; W525-Y528 PolarHBondContact O-N 3.06Å; W525-I552 HydrophobicContact CH2-CG2 4.05Å; W525-I552 HydrophobicContact CZ3-CG2 4.3Å; W525-M599 HydrophobicContact CB-CE 3.92Å; W525-M599 HydrophobicContact CD2-CE 3.74Å; W525-M599 HydrophobicContact CD2-CG 3.83Å; W525-M599 HydrophobicContact CD2-SD 4.02Å; W525-M599 HydrophobicContact CE3-CB 4.44Å; W525-M599 HydrophobicContact CE3-CE 4.17Å; W525-M599 HydrophobicContact CE3-CG 3.76Å; W525-M599 HydrophobicContact CE3-SD 3.86Å; W525-M599 HydrophobicContact CG-CE 3.61Å; W525-M599 HydrophobicContact CG-SD 4.48Å; W525-M599 HydrophobicContact CH2-CB 3.91Å; W525-M599 HydrophobicContact CH2-CG 3.73Å; W525-M599 HydrophobicContact CZ2-CB 4.35Å; W525-M599 HydrophobicContact CZ2-CG 3.76Å; W525-M599 HydrophobicContact CZ3-CB 3.96Å; W525-M599 HydrophobicContact CZ3-CG 3.73Å; W525-M599 HydrophobicContact CZ3-SD 4.3Å; W525-I602 HydrophobicContact CH2-CB 4.44Å; W525-I602 HydrophobicContact CH2-CD1 4.02Å; W525-I602 HydrophobicContact CZ2-CD1 3.83Å | ||
| 526 | W | 94 | Very high | 93.9 | Very high | 26 Ų | 26 | 23.7 Ų | 23.7 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -61.2 | -23.8 | -169.7 | 64.4 | -96 | 0 | 0 | 0 | 113.9 | V349 Y528 V542 D543 N544 T546 I552 | V349-W526 HydrophobicContact CG2-CH2 4.11Å; W526-Y528 PolarHBondContact O-N 3.03Å; W526-V542 HydrophobicContact CB-CB 4.32Å; W526-V542 HydrophobicContact CB-CG2 4.28Å; W526-D543 CarbonylContact O-C 3.57Å; W526-N544 WeakPolarHBondContact O-CA 3.31Å; W526-N544 PolarHBondContact O-N 3.48Å; W526-N544 PolarHBondContact O-OD1 2.92Å; W526-T546 HydrophobicContact CD2-CG2 4.01Å; W526-T546 HydrophobicContact CE3-CG2 3.89Å; W526-T546 HydrophobicContact CG-CG2 4.47Å; W526-T546 HydrophobicContact CZ3-CG2 4.28Å; W526-I552 HydrophobicContact CG-CG2 4.41Å |
| 527 | D | 91.3 | Very high | 93.8 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 13% | 0.128 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -57.5 | -31.6 | 178.4 | -65.8 | 13.4 | 0 | 0 | 0 | 113.7 | F48 W525 N544 K595 | F48-D527 WeakPolarHBondContact CD1-O 3.45Å; W525-D527 PolarHBondContact NE1-OD1 3.15Å; W525-D527 PolarHBondContact O-N 3.27Å; W525-D527 VanDerWaalsContact O-N 3.08Å; D527-N544 PolarHBondContact O-ND2 2.75Å; D527-N544 PolarHBondContact O-OD1 3.47Å; D527-K595 WeakPolarHBondContact OD2-CE 3.46Å; D527-K595 IonicContact OD2-NZ 2.96Å; D527-K595 PolarHBondContact OD2-NZ 2.89Å |
| 528 | Y | 92.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -101.7 | -5.8 | -168.9 | -43.6 | -56.7 | 0 | 0 | 0 | 113.4 | F48 W525 W526 Y530 Q531 I532 I581 D592 K595 | F48-Y528 HydrophobicContact CD1-CD1 4.46Å; F48-Y528 AromaticContact CE1-CD1 3.85Å; F48-Y528 HydrophobicContact CE1-CD1 3.85Å; F48-Y528 HydrophobicContact CE1-CE1 4.19Å; W525-Y528 HydrophobicContact CB-CD2 4.28Å; W525-Y528 HydrophobicContact CB-CE2 4.02Å; W525-Y528 PolarHBondContact O-N 3.06Å; W526-Y528 PolarHBondContact O-N 3.03Å; Y528-Y530 PolarHBondContact O-N 3.04Å; Y528-Q531 PolarHBondContact O-N 2.95Å; Y528-I532 WeakPolarHBondContact O-CG1 3.21Å; Y528-I532 PolarHBondContact O-N 3.48Å; Y528-I581 HydrophobicContact CD1-CD1 3.81Å; Y528-I581 HydrophobicContact CD2-CD1 4.2Å; Y528-I581 HydrophobicContact CD2-CG1 4.41Å; Y528-I581 HydrophobicContact CE1-CD1 3.28Å; Y528-I581 HydrophobicContact CE1-CG1 4.28Å; Y528-I581 HydrophobicContact CE2-CD1 3.71Å; Y528-I581 HydrophobicContact CE2-CG1 3.82Å; Y528-I581 HydrophobicContact CG-CD1 4.25Å; Y528-D592 VanDerWaalsContact CE2-OD1 3.31Å; Y528-D592 WeakPolarHBondContact CE2-OD1 3.18Å; Y528-D592 PolarHBondContact OH-OD1 3.49Å; Y528-K595 PolarHBondContact OH-NZ 2.96Å |
| 529 | G | 92.9 | Very high | 94 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -53 | -49.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q531 I532 T533 D543 N544 | G529-Q531 VanDerWaalsContact C-N 3.32Å; G529-Q531 PolarHBondContact O-N 3.29Å; G529-I532 PolarHBondContact O-N 3.09Å; G529-T533 PolarHBondContact O-N 3.35Å; G529-T533 PolarHBondContact O-OG1 3.31Å; G529-D543 WeakPolarHBondContact CA-OD1 2.96Å; G529-N544 PolarHBondContact N-OD1 3.06Å |
| 530 | Y | 93.6 | Very high | 94.1 | Very high | 18 Ų | 18 | 11.8 Ų | 11.8 | 7% | 0.071 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.4 | -38.3 | 179.6 | -73.1 | -20.5 | 0 | 0 | 0 | 113.4 | F48 F52 R82 Y528 A534 D543 N544 N545 | F48-Y530 WeakPolarHBondContact O-CB 2.91Å; F52-Y530 HydrophobicContact CB-CD1 3.53Å; F52-Y530 HydrophobicContact CB-CD2 3.64Å; F52-Y530 HydrophobicContact CB-CE1 3.53Å; F52-Y530 HydrophobicContact CB-CE2 3.64Å; F52-Y530 HydrophobicContact CB-CG 3.59Å; F52-Y530 HydrophobicContact CD1-CE1 4.32Å; F52-Y530 AromaticContact CD2-CD1 3.94Å; F52-Y530 HydrophobicContact CD2-CD1 3.94Å; F52-Y530 AromaticContact CD2-CE1 3.48Å; F52-Y530 HydrophobicContact CD2-CE1 3.48Å; F52-Y530 VanDerWaalsContact CD2-CE1 3.48Å; F52-Y530 HydrophobicContact CE2-CE1 4.27Å; F52-Y530 AromaticContact CG-CD1 3.98Å; F52-Y530 HydrophobicContact CG-CD1 3.98Å; F52-Y530 AromaticContact CG-CE1 3.52Å; F52-Y530 HydrophobicContact CG-CE1 3.52Å; F52-Y530 HydrophobicContact CG-CE2 4.13Å; F52-Y530 HydrophobicContact CG-CG 4.48Å; F52-Y530 AromaticContact CG-CZ 3.61Å; R82-Y530 PolarHBondContact NH1-OH 3.14Å; R82-Y530 VanDerWaalsContact NH1-OH 3.14Å; Y528-Y530 PolarHBondContact O-N 3.04Å; Y530-A534 VanDerWaalsContact O-CB 3.22Å; Y530-A534 WeakPolarHBondContact O-CB 3.2Å; Y530-A534 PolarHBondContact O-N 3.15Å; Y530-D543 WeakPolarHBondContact CD1-OD1 3.19Å; Y530-D543 WeakPolarHBondContact CD1-OD2 3.16Å; Y530-D543 WeakPolarHBondContact CE1-OD1 3.37Å; Y530-D543 WeakPolarHBondContact CE1-OD2 3.32Å; Y530-D543 PolarHBondContact N-OD1 3.02Å; Y530-D543 VanDerWaalsContact N-OD1 3.09Å; Y530-N544 HydrophobicContact CD1-CB 4.17Å; Y530-N544 HydrophobicContact CD2-CB 3.29Å; Y530-N544 HydrophobicContact CE1-CB 4.18Å; Y530-N544 HydrophobicContact CE2-CB 3.33Å; Y530-N544 HydrophobicContact CG-CB 3.75Å; Y530-N544 PolarHBondContact N-OD1 3Å; Y530-N545 VanDerWaalsContact OH-CB 3.27Å; Y530-N545 WeakPolarHBondContact OH-CB 3.48Å |
| 531 | Q | 92.8 | Very high | 94 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.2 | -45 | 177.9 | -70.9 | -174.2 | -11.3 | 0 | 0 | 111.1 | F48 Y51 Y509 Y528 G529 A534 M535 | F48-Q531 VanDerWaalsContact CD1-CD 3.45Å; F48-Q531 HydrophobicContact CD1-CG 4.01Å; Y51-Q531 HydrophobicContact CD2-CG 3.69Å; Y51-Q531 HydrophobicContact CE2-CG 4.03Å; Y51-Q531 HydrophobicContact CG-CG 4.31Å; Y509-Q531 HydrophobicContact CE2-CB 3.91Å; Y509-Q531 PolarHBondContact OH-OE1 3.32Å; Y528-Q531 PolarHBondContact O-N 2.95Å; G529-Q531 VanDerWaalsContact C-N 3.32Å; G529-Q531 PolarHBondContact O-N 3.29Å; Q531-A534 PolarHBondContact O-N 3.06Å; Q531-M535 VanDerWaalsContact O-CB 3.31Å; Q531-M535 WeakPolarHBondContact O-CB 3.24Å; Q531-M535 PolarHBondContact O-N 3.38Å |
| 532 | I | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -60.8 | -49.5 | 179.1 | -65.7 | 165.7 | 0 | 0 | 0 | 109.8 | Y509 V522 S524 Y528 G529 A534 A536 N537 I540 L579 | Y509-I532 HydrophobicContact CD1-CG1 4.13Å; Y509-I532 HydrophobicContact CE1-CG1 3.54Å; V522-I532 HydrophobicContact CB-CG2 4.46Å; V522-I532 HydrophobicContact CG1-CD1 4.45Å; S524-I532 WeakPolarHBondContact OG-CD1 3.47Å; Y528-I532 WeakPolarHBondContact O-CG1 3.21Å; Y528-I532 PolarHBondContact O-N 3.48Å; G529-I532 PolarHBondContact O-N 3.09Å; I532-A534 VanDerWaalsContact C-N 3.34Å; I532-A534 PolarHBondContact O-N 2.94Å; I532-A536 HydrophobicContact CG2-CB 4.19Å; I532-A536 WeakPolarHBondContact O-CA 3.16Å; I532-A536 WeakPolarHBondContact O-CB 3.47Å; I532-A536 PolarHBondContact O-N 3.49Å; I532-N537 PolarHBondContact O-N 3.45Å; I532-N537 VanDerWaalsContact O-N 3.14Å; I532-I540 HydrophobicContact CB-CG2 3.95Å; I532-I540 HydrophobicContact CG2-CG2 3.6Å; I532-L579 HydrophobicContact CD1-CD1 4.34Å |
| 533 | T | 92.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 2% | 0.018 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -68.4 | -33.4 | -177.6 | -49.7 | 0 | 0 | 0 | 0 | 112.6 | R75 G529 N537 I540 | R75-T533 HydrophobicContact CB-CG2 4.35Å; G529-T533 PolarHBondContact O-N 3.35Å; G529-T533 PolarHBondContact O-OG1 3.31Å; T533-N537 WeakPolarHBondContact O-CA 3.31Å; T533-I540 WeakPolarHBondContact OG1-CD1 3.29Å; T533-I540 WeakPolarHBondContact OG1-CG1 3.12Å; T533-I540 WeakPolarHBondContact OG1-CG2 3.32Å |
| 534 | A | 91.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 11 Ų | 11 | 23% | 0.231 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -78.8 | -41.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y51 Y530 Q531 I532 | Y51-A534 HydrophobicContact CD1-CB 3.71Å; Y51-A534 HydrophobicContact CG-CB 4.15Å; Y530-A534 VanDerWaalsContact O-CB 3.22Å; Y530-A534 WeakPolarHBondContact O-CB 3.2Å; Y530-A534 PolarHBondContact O-N 3.15Å; Q531-A534 PolarHBondContact O-N 3.06Å; I532-A534 VanDerWaalsContact C-N 3.34Å; I532-A534 PolarHBondContact O-N 2.94Å |
| 535 | M | 92.4 | Very high | 93 | Very high | 25 Ų | 25 | 13.4 Ų | 13.4 | 12% | 0.123 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -90.6 | -54.2 | -176.7 | -64.8 | -160.8 | -174.2 | 0 | 0 | 112.9 | Y51 I488 R506 Y509 R513 Q531 N537 | Y51-M535 HydrophobicContact CD1-CE 4.35Å; Y51-M535 HydrophobicContact CD1-CG 4.47Å; Y51-M535 HydrophobicContact CE1-CE 3.35Å; Y51-M535 HydrophobicContact CE1-CG 4.12Å; Y51-M535 HydrophobicContact CE2-CE 4.02Å; Y51-M535 WeakPolarHBondContact OH-CE 3.39Å; I488-M535 HydrophobicContact CG1-CE 3.89Å; I488-M535 HydrophobicContact CG2-CE 3.9Å; R506-M535 HydrophobicContact CG-SD 4.28Å; Y509-M535 HydrophobicContact CD2-CB 4.06Å; Y509-M535 HydrophobicContact CD2-CG 4.31Å; Y509-M535 HydrophobicContact CD2-SD 3.52Å; Y509-M535 VanDerWaalsContact CD2-SD 3.52Å; Y509-M535 HydrophobicContact CE2-SD 4.18Å; Y509-M535 HydrophobicContact CG-CB 4.21Å; Y509-M535 HydrophobicContact CG-SD 4.44Å; R513-M535 WeakPolarHBondContact CD-O 3.18Å; R513-M535 PolarHBondContact NH1-O 3.38Å; Q531-M535 VanDerWaalsContact O-CB 3.31Å; Q531-M535 WeakPolarHBondContact O-CB 3.24Å; Q531-M535 PolarHBondContact O-N 3.38Å; M535-N537 VanDerWaalsContact C-N 3.31Å |
| 536 | A | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -76.5 | -22.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y509 L512 R513 I532 R538 | Y509-A536 WeakPolarHBondContact O-CA 3.44Å; Y509-A536 WeakPolarHBondContact O-CB 3.22Å; L512-A536 HydrophobicContact CB-CB 3.84Å; L512-A536 HydrophobicContact CD1-CB 4.33Å; R513-A536 WeakPolarHBondContact CA-O 3.42Å; R513-A536 WeakPolarHBondContact CB-O 3.42Å; R513-A536 WeakPolarHBondContact CG-O 3.42Å; I532-A536 HydrophobicContact CG2-CB 4.19Å; I532-A536 WeakPolarHBondContact O-CA 3.16Å; I532-A536 WeakPolarHBondContact O-CB 3.47Å; I532-A536 PolarHBondContact O-N 3.49Å; A536-R538 PolarHBondContact O-N 3.01Å; A536-R538 PolarHBondContact O-NH1 3.48Å |
| 537 | N | 94.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 19.6 Ų | 19.6 | 28% | 0.283 | 10% | 0.099 | S | C | . | . | trans | 53.8 | 51.4 | -178.2 | -165.2 | 32.3 | 0 | 0 | 0 | 111.7 | R75 I532 T533 M535 | R75-N537 VanDerWaalsContact NH1-CG 3.28Å; R75-N537 PolarHBondContact NH1-ND2 2.83Å; R75-N537 PolarHBondContact NH1-OD1 2.67Å; I532-N537 PolarHBondContact O-N 3.45Å; I532-N537 VanDerWaalsContact O-N 3.14Å; T533-N537 WeakPolarHBondContact O-CA 3.31Å; M535-N537 VanDerWaalsContact C-N 3.31Å | ||
| 538 | R | 95 | Very high | 92.3 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 4% | 0.038 | 10% | 0.103 | C | C | . | . | trans | -127.1 | 161 | 178.6 | -69.7 | -60 | 179.3 | -83.8 | 2.1 | 111.9 | L512 R513 T516 P517 V522 A536 | L512-R538 PolarHBondContact O-NH2 2.96Å; R513-R538 PolarHBondContact O-NH2 2.93Å; T516-R538 PolarHBondContact O-NH2 2.56Å; T516-R538 PolarHBondContact OG1-NE 3.07Å; T516-R538 PolarHBondContact OG1-NH2 3.41Å; P517-R538 WeakPolarHBondContact O-CD 3.29Å; P517-R538 PolarHBondContact O-NE 2.95Å; V522-R538 HydrophobicContact CG2-CB 4.05Å; A536-R538 PolarHBondContact O-N 3.01Å; A536-R538 PolarHBondContact O-NH1 3.48Å | ||
| 539 | T | 95.6 | Very high | 92.1 | Very high | 14 Ų | 14 | 23.3 Ų | 23.3 | 9% | 0.086 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 131.6 | -178.6 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | R75 Y78 A520 K521 V522 | R75-T539 CarbonylContact O-C 3.58Å; R75-T539 VanDerWaalsContact O-CA 3.24Å; R75-T539 WeakPolarHBondContact O-CA 3.49Å; Y78-T539 HydrophobicContact CD2-CG2 4.17Å; Y78-T539 HydrophobicContact CG-CG2 4.13Å; A520-T539 PolarHBondContact O-N 3.39Å; K521-T539 WeakPolarHBondContact CA-O 3.14Å; K521-T539 HydrophobicContact CG-CG2 4.12Å; V522-T539 PolarHBondContact N-O 3.24Å |
| 540 | I | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 150.1 | -180 | 59.6 | 168.6 | 0 | 0 | 0 | 111.2 | R75 A76 W77 Y78 I532 T533 V542 D543 | R75-I540 PolarHBondContact O-N 3.49Å; A76-I540 HydrophobicContact CB-CD1 4.43Å; A76-I540 HydrophobicContact CB-CG1 4.34Å; W77-I540 PolarHBondContact N-O 3.08Å; Y78-I540 PolarHBondContact N-O 3.48Å; I532-I540 HydrophobicContact CB-CG2 3.95Å; I532-I540 HydrophobicContact CG2-CG2 3.6Å; T533-I540 WeakPolarHBondContact OG1-CD1 3.29Å; T533-I540 WeakPolarHBondContact OG1-CG1 3.12Å; T533-I540 WeakPolarHBondContact OG1-CG2 3.32Å; I540-V542 WeakPolarHBondContact CD1-O 3.5Å; I540-D543 HydrophobicContact CD1-CB 3.72Å; I540-D543 WeakPolarHBondContact CD1-OD1 3.43Å |
| 541 | L | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -85.5 | -40.6 | 178.3 | -79.3 | 72.6 | 0 | 0 | 0 | 112.5 | W77 K521 M523 H551 L573 V575 | W77-L541 WeakPolarHBondContact CA-O 3.17Å; K521-L541 HydrophobicContact CB-CD1 4.07Å; M523-L541 HydrophobicContact CB-CD2 4.48Å; L541-H551 PolarHBondContact O-CD2 3.19Å; L541-H551 VanDerWaalsContact O-CD2 3.26Å; L541-H551 PolarHBondContact O-NE2 3.33Å; L541-L573 HydrophobicContact CD2-CB 3.65Å; L541-L573 HydrophobicContact CD2-CD1 3.84Å; L541-L573 HydrophobicContact CD2-CG 4.34Å; L541-V575 HydrophobicContact CD1-CG2 4.24Å; L541-V575 HydrophobicContact CD2-CG2 3.45Å; L541-V575 VanDerWaalsContact CD2-CG2 3.45Å |
| 542 | V | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -129.7 | 145.4 | -179 | -70.8 | 0 | 0 | 0 | 0 | 109.1 | W77 S524 W526 I540 I552 V555 | W77-V542 HydrophobicContact CZ3-CG1 4.45Å; S524-V542 WeakPolarHBondContact O-CG2 3.14Å; W526-V542 HydrophobicContact CB-CB 4.32Å; W526-V542 HydrophobicContact CB-CG2 4.28Å; I540-V542 WeakPolarHBondContact CD1-O 3.5Å; V542-I552 HydrophobicContact CB-CG1 4.49Å; V542-I552 HydrophobicContact CG1-CG1 4.06Å; V542-V555 HydrophobicContact CG1-CB 4.29Å; V542-V555 HydrophobicContact CG1-CG2 3.59Å; V542-V555 HydrophobicContact CG2-CG1 4.3Å; V542-V555 HydrophobicContact CG2-CG2 4.18Å |
| 543 | D | 89.8 | Confident | 91.9 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -131.2 | 167.2 | -173.2 | -151.2 | 8.7 | 0 | 0 | 0 | 110.6 | W77 R82 W526 G529 Y530 I540 N545 | W77-D543 HydrophobicContact CZ2-CB 4.07Å; R82-D543 IonicContact NH1-OD2 3.92Å; W526-D543 CarbonylContact O-C 3.57Å; G529-D543 WeakPolarHBondContact CA-OD1 2.96Å; Y530-D543 WeakPolarHBondContact CD1-OD1 3.19Å; Y530-D543 WeakPolarHBondContact CD1-OD2 3.16Å; Y530-D543 WeakPolarHBondContact CE1-OD1 3.37Å; Y530-D543 WeakPolarHBondContact CE1-OD2 3.32Å; Y530-D543 PolarHBondContact N-OD1 3.02Å; Y530-D543 VanDerWaalsContact N-OD1 3.09Å; I540-D543 HydrophobicContact CD1-CB 3.72Å; I540-D543 WeakPolarHBondContact CD1-OD1 3.43Å; D543-N545 PolarHBondContact O-N 2.83Å | ||
| 544 | N | 90.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 9% | 0.086 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -63.4 | -28 | -175.5 | -71 | 59.3 | 0 | 0 | 0 | 113.9 | F48 W526 D527 G529 Y530 T546 | F48-N544 VanDerWaalsContact CB-ND2 3.34Å; F48-N544 WeakPolarHBondContact CB-ND2 3.37Å; W526-N544 WeakPolarHBondContact O-CA 3.31Å; W526-N544 PolarHBondContact O-N 3.48Å; W526-N544 PolarHBondContact O-OD1 2.92Å; D527-N544 PolarHBondContact O-ND2 2.75Å; D527-N544 PolarHBondContact O-OD1 3.47Å; G529-N544 PolarHBondContact N-OD1 3.06Å; Y530-N544 HydrophobicContact CD1-CB 4.17Å; Y530-N544 HydrophobicContact CD2-CB 3.29Å; Y530-N544 HydrophobicContact CE1-CB 4.18Å; Y530-N544 HydrophobicContact CE2-CB 3.33Å; Y530-N544 HydrophobicContact CG-CB 3.75Å; Y530-N544 PolarHBondContact N-OD1 3Å; N544-T546 PolarHBondContact O-N 3.23Å |
| 545 | N | 88.9 | Confident | 92.1 | Very high | 53 Ų | 53 | 29 Ų | 29 | 28% | 0.283 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -79.5 | 95.4 | 173.5 | 179.1 | 28.9 | 0 | 0 | 0 | 110.8 | W77 R82 Y530 D543 W547 | W77-N545 WeakPolarHBondContact CZ2-O 3.43Å; R82-N545 VanDerWaalsContact CZ-ND2 3.34Å; R82-N545 PolarHBondContact NH2-ND2 3.29Å; R82-N545 VanDerWaalsContact NH2-ND2 3.13Å; Y530-N545 VanDerWaalsContact OH-CB 3.27Å; Y530-N545 WeakPolarHBondContact OH-CB 3.48Å; D543-N545 PolarHBondContact O-N 2.83Å; N545-W547 VanDerWaalsContact C-N 3.25Å; N545-W547 VanDerWaalsContact O-CD1 3.26Å; N545-W547 PolarHBondContact O-N 3.06Å |
| 546 | T | 87.6 | Confident | 92.1 | Very high | 42 Ų | 42 | 27.9 Ų | 27.9 | 26% | 0.258 | 14% | 0.139 | S | C | . | . | trans | -73.6 | 62.9 | -174.3 | 65.4 | 0 | 0 | 0 | 0 | 114 | I345 W526 N544 N549 I552 | I345-T546 HydrophobicContact CG2-CG2 3.99Å; W526-T546 HydrophobicContact CD2-CG2 4.01Å; W526-T546 HydrophobicContact CE3-CG2 3.89Å; W526-T546 HydrophobicContact CG-CG2 4.47Å; W526-T546 HydrophobicContact CZ3-CG2 4.28Å; N544-T546 PolarHBondContact O-N 3.23Å; T546-N549 PolarHBondContact O-OD1 3.09Å; T546-I552 HydrophobicContact CG2-CD1 3.58Å | ||
| 547 | W | 87.6 | Confident | 92.1 | Very high | 120 Ų | 120 | 27.9 Ų | 27.9 | 46% | 0.455 | 14% | 0.139 | S | C | . | . | trans | -83 | -24.2 | -179 | 69.1 | -91.6 | 0 | 0 | 0 | 113.5 | W77 L80 N545 | W77-W547 HydrophobicContact CB-CZ2 4.25Å; W77-W547 AromaticContact CD1-NE1 3.39Å; W77-W547 AromaticContact CD2-CE2 3.72Å; W77-W547 AromaticContact CD2-CZ2 3.95Å; W77-W547 HydrophobicContact CD2-CZ2 3.95Å; W77-W547 AromaticContact CD2-NE1 3.14Å; W77-W547 AromaticContact CE2-CD1 3.5Å; W77-W547 AromaticContact CE2-NE1 3.06Å; W77-W547 AromaticContact CE3-CE2 3.97Å; W77-W547 AromaticContact CE3-CZ2 4Å; W77-W547 HydrophobicContact CE3-CZ2 4Å; W77-W547 AromaticContact CE3-NE1 3.8Å; W77-W547 HydrophobicContact CG-CZ2 4.03Å; W77-W547 AromaticContact CG-NE1 3.4Å; W77-W547 AromaticContact CZ2-CD1 3.74Å; W77-W547 AromaticContact CZ2-NE1 3.72Å; W77-W547 AromaticContact NE1-CD1 3.6Å; W77-W547 AromaticContact NE1-NE1 3.14Å; W77-W547 VanDerWaalsContact NE1-NE1 3.14Å; L80-W547 HydrophobicContact CB-CH2 4.31Å; L80-W547 HydrophobicContact CB-CZ2 4.36Å; L80-W547 HydrophobicContact CD1-CH2 3.84Å; L80-W547 HydrophobicContact CD1-CZ2 4.05Å; N545-W547 VanDerWaalsContact C-N 3.25Å; N545-W547 VanDerWaalsContact O-CD1 3.26Å; N545-W547 PolarHBondContact O-N 3.06Å | ||
| 548 | N | 89.8 | Confident | 92.2 | Very high | 38 Ų | 38 | 25.4 Ų | 25.4 | 20% | 0.203 | 13% | 0.126 | C | C | . | . | trans | -121.1 | 92.9 | 176.9 | -171.3 | -16.4 | 0 | 0 | 0 | 111.6 | W77 T550 H551 I552 | W77-N548 HydrophobicContact CE3-CB 4.37Å; W77-N548 HydrophobicContact CH2-CB 4.44Å; W77-N548 HydrophobicContact CZ3-CB 3.82Å; N548-T550 VanDerWaalsContact C-N 3.3Å; N548-T550 PolarHBondContact O-N 2.97Å; N548-T550 PolarHBondContact OD1-N 3.47Å; N548-H551 HydrophobicContact CB-CB 4.25Å; N548-H551 PolarHBondContact O-N 2.88Å; N548-H551 PolarHBondContact OD1-N 3.38Å; N548-I552 PolarHBondContact O-N 3.31Å | ||
| 549 | N | 88.4 | Confident | 92.1 | Very high | 66 Ų | 66 | 24.9 Ų | 24.9 | 35% | 0.353 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -64 | -32.9 | -178 | -63.8 | -16.8 | 0 | 0 | 0 | 113.1 | I345 T546 H551 I552 S553 | I345-N549 HydrophobicContact CD1-CB 3.61Å; I345-N549 WeakPolarHBondContact CD1-OD1 3.34Å; T546-N549 PolarHBondContact O-OD1 3.09Å; N549-H551 VanDerWaalsContact C-N 3.33Å; N549-H551 PolarHBondContact O-N 3.37Å; N549-I552 PolarHBondContact O-N 3.06Å; N549-S553 WeakPolarHBondContact O-CB 3.32Å; N549-S553 PolarHBondContact O-N 2.9Å |
| 550 | T | 90.7 | Very high | 92.1 | Very high | 87 Ų | 87 | 24.3 Ų | 24.3 | 53% | 0.534 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -66.2 | -39.1 | -179.7 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | N548 S553 R554 T606 | N548-T550 VanDerWaalsContact C-N 3.3Å; N548-T550 PolarHBondContact O-N 2.97Å; N548-T550 PolarHBondContact OD1-N 3.47Å; T550-S553 WeakPolarHBondContact O-CB 3.26Å; T550-S553 PolarHBondContact O-N 3.46Å; T550-R554 PolarHBondContact O-N 3.37Å; T550-T606 HydrophobicContact CG2-CG2 4.31Å |
| 551 | H | 92.2 | Very high | 92 | Very high | 21 Ų | 21 | 24.7 Ų | 24.7 | 10% | 0.097 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.2 | -40.8 | 178.2 | -157.1 | 48 | 0 | 0 | 0 | 111.8 | W77 Y78 L541 N548 N549 S553 R554 V555 | W77-H551 AromaticContact CE3-CD2 3.75Å; W77-H551 HydrophobicContact CZ3-CB 4.03Å; W77-H551 AromaticContact CZ3-CD2 3.91Å; Y78-H551 PolarHBondContact O-NE2 3.06Å; L541-H551 PolarHBondContact O-CD2 3.19Å; L541-H551 VanDerWaalsContact O-CD2 3.26Å; L541-H551 PolarHBondContact O-NE2 3.33Å; N548-H551 HydrophobicContact CB-CB 4.25Å; N548-H551 PolarHBondContact O-N 2.88Å; N548-H551 PolarHBondContact OD1-N 3.38Å; N549-H551 VanDerWaalsContact C-N 3.33Å; N549-H551 PolarHBondContact O-N 3.37Å; H551-S553 VanDerWaalsContact C-N 3.3Å; H551-S553 PolarHBondContact O-N 3.47Å; H551-R554 WeakPolarHBondContact O-CB 3.39Å; H551-R554 PolarHBondContact O-N 2.85Å; H551-R554 VanDerWaalsContact O-N 3.16Å; H551-V555 PolarHBondContact O-N 2.97Å |
| 552 | I | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 172.2 | -59.7 | 170.6 | 0 | 0 | 0 | 110.7 | W77 W525 W526 V542 T546 N548 N549 R554 V555 G556 I602 | W77-I552 HydrophobicContact CH2-CD1 4.02Å; W77-I552 HydrophobicContact CH2-CG1 3.87Å; W77-I552 HydrophobicContact CZ3-CG1 4.39Å; W525-I552 HydrophobicContact CH2-CG2 4.05Å; W525-I552 HydrophobicContact CZ3-CG2 4.3Å; W526-I552 HydrophobicContact CG-CG2 4.41Å; V542-I552 HydrophobicContact CB-CG1 4.49Å; V542-I552 HydrophobicContact CG1-CG1 4.06Å; T546-I552 HydrophobicContact CG2-CD1 3.58Å; N548-I552 PolarHBondContact O-N 3.31Å; N549-I552 PolarHBondContact O-N 3.06Å; I552-R554 VanDerWaalsContact C-N 3.28Å; I552-R554 PolarHBondContact O-N 2.92Å; I552-V555 PolarHBondContact O-N 3.3Å; I552-G556 PolarHBondContact O-N 2.81Å; I552-I602 HydrophobicContact CG2-CG2 4.02Å |
| 553 | S | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.9 | -39.7 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | N549 T550 H551 G556 Q557 I602 G603 T606 | N549-S553 WeakPolarHBondContact O-CB 3.32Å; N549-S553 PolarHBondContact O-N 2.9Å; T550-S553 WeakPolarHBondContact O-CB 3.26Å; T550-S553 PolarHBondContact O-N 3.46Å; H551-S553 VanDerWaalsContact C-N 3.3Å; H551-S553 PolarHBondContact O-N 3.47Å; S553-G556 CarbonylContact O-C 3.57Å; S553-G556 PolarHBondContact O-N 2.82Å; S553-Q557 VanDerWaalsContact O-CG 3.26Å; S553-Q557 WeakPolarHBondContact O-CG 3.48Å; S553-Q557 PolarHBondContact O-N 2.95Å; S553-Q557 PolarHBondContact OG-NE2 3.32Å; S553-I602 WeakPolarHBondContact CB-O 3.36Å; S553-I602 PolarHBondContact OG-O 3.37Å; S553-G603 PolarHBondContact OG-O 2.83Å; S553-G603 VanDerWaalsContact OG-O 3.05Å; S553-T606 VanDerWaalsContact CB-CG2 3.45Å; S553-T606 VanDerWaalsContact OG-CG2 3.26Å; S553-T606 WeakPolarHBondContact OG-CG2 3.44Å; S553-T606 PolarHBondContact OG-OG1 3.33Å |
| 554 | R | 93.9 | Very high | 91.9 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 24% | 0.238 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 176.7 | -164.5 | 60.6 | 168.5 | 163.3 | -0.4 | 112.6 | T550 H551 I552 Q557 A558 I569 E572 L573 | T550-R554 PolarHBondContact O-N 3.37Å; H551-R554 WeakPolarHBondContact O-CB 3.39Å; H551-R554 PolarHBondContact O-N 2.85Å; H551-R554 VanDerWaalsContact O-N 3.16Å; I552-R554 VanDerWaalsContact C-N 3.28Å; I552-R554 PolarHBondContact O-N 2.92Å; R554-Q557 WeakPolarHBondContact O-CB 3.43Å; R554-Q557 PolarHBondContact O-N 3.02Å; R554-A558 PolarHBondContact O-N 2.83Å; R554-A558 VanDerWaalsContact O-N 3.08Å; R554-I569 HydrophobicContact CG-CG2 3.77Å; R554-E572 IonicContact CZ-OE2 3.25Å; R554-E572 IonicContact NE-OE2 3.43Å; R554-E572 PolarHBondContact NE-OE2 3.28Å; R554-E572 IonicContact NH2-OE2 2.68Å; R554-E572 PolarHBondContact NH2-OE2 3.2Å; R554-L573 HydrophobicContact CG-CD1 4.1Å |
| 555 | V | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 172.3 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | M523 V542 H551 I552 Q557 A558 M559 | M523-V555 HydrophobicContact CG-CG1 4Å; M523-V555 HydrophobicContact SD-CG1 4.33Å; V542-V555 HydrophobicContact CG1-CB 4.29Å; V542-V555 HydrophobicContact CG1-CG2 3.59Å; V542-V555 HydrophobicContact CG2-CG1 4.3Å; V542-V555 HydrophobicContact CG2-CG2 4.18Å; H551-V555 PolarHBondContact O-N 2.97Å; I552-V555 PolarHBondContact O-N 3.3Å; V555-Q557 VanDerWaalsContact C-N 3.31Å; V555-Q557 PolarHBondContact O-N 3.45Å; V555-A558 WeakPolarHBondContact O-CB 3.22Å; V555-A558 PolarHBondContact O-N 2.93Å; V555-M559 WeakPolarHBondContact O-CG 3.38Å; V555-M559 PolarHBondContact O-N 2.93Å |
| 556 | G | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -38 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I552 S553 M559 A560 | I552-G556 PolarHBondContact O-N 2.81Å; S553-G556 CarbonylContact O-C 3.57Å; S553-G556 PolarHBondContact O-N 2.82Å; G556-M559 PolarHBondContact O-N 3.41Å; G556-A560 VanDerWaalsContact O-CB 3.31Å; G556-A560 WeakPolarHBondContact O-CB 3.46Å; G556-A560 PolarHBondContact O-N 2.95Å |
| 557 | Q | 93.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 173.5 | -72.1 | 166.7 | 30.7 | 0 | 0 | 111.6 | S553 R554 V555 M559 A560 S561 I569 G603 T606 T608 G609 I612 | S553-Q557 VanDerWaalsContact O-CG 3.26Å; S553-Q557 WeakPolarHBondContact O-CG 3.48Å; S553-Q557 PolarHBondContact O-N 2.95Å; S553-Q557 PolarHBondContact OG-NE2 3.32Å; R554-Q557 WeakPolarHBondContact O-CB 3.43Å; R554-Q557 PolarHBondContact O-N 3.02Å; V555-Q557 VanDerWaalsContact C-N 3.31Å; V555-Q557 PolarHBondContact O-N 3.45Å; Q557-M559 VanDerWaalsContact C-N 3.35Å; Q557-M559 PolarHBondContact O-N 3.29Å; Q557-A560 PolarHBondContact O-N 3.33Å; Q557-S561 WeakPolarHBondContact O-CB 3.47Å; Q557-S561 PolarHBondContact O-N 2.91Å; Q557-S561 PolarHBondContact O-OG 3.33Å; Q557-I569 HydrophobicContact CB-CD1 3.92Å; Q557-G603 PolarHBondContact NE2-O 3.1Å; Q557-T606 PolarHBondContact NE2-OG1 3.2Å; Q557-T608 PolarHBondContact NE2-OG1 2.81Å; Q557-T608 VanDerWaalsContact NE2-OG1 3.1Å; Q557-G609 VanDerWaalsContact NE2-CA 3.33Å; Q557-I612 HydrophobicContact CB-CD1 3.97Å; Q557-I612 HydrophobicContact CG-CD1 3.78Å |
| 558 | A | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M523 R554 V555 A560 A566 I569 | M523-A558 HydrophobicContact CE-CB 4.26Å; M523-A558 HydrophobicContact SD-CB 4.15Å; R554-A558 PolarHBondContact O-N 2.83Å; R554-A558 VanDerWaalsContact O-N 3.08Å; V555-A558 WeakPolarHBondContact O-CB 3.22Å; V555-A558 PolarHBondContact O-N 2.93Å; A558-A560 PolarHBondContact O-N 3.49Å; A558-A566 HydrophobicContact CB-CB 4.5Å; A558-A566 WeakPolarHBondContact O-CB 3.26Å; A558-I569 HydrophobicContact CB-CB 4.12Å; A558-I569 HydrophobicContact CB-CD1 4.27Å; A558-I569 HydrophobicContact CB-CG2 3.9Å |
| 559 | M | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.8 | -34.3 | -179.7 | -65.5 | -56.7 | -171.7 | 0 | 0 | 113.5 | M523 V555 G556 Q557 V578 M599 M639 M642 | M523-M559 HydrophobicContact CE-CE 3.88Å; M523-M559 HydrophobicContact CE-SD 4.2Å; M523-M559 HydrophobicContact CG-CE 4.14Å; V555-M559 WeakPolarHBondContact O-CG 3.38Å; V555-M559 PolarHBondContact O-N 2.93Å; G556-M559 PolarHBondContact O-N 3.41Å; Q557-M559 VanDerWaalsContact C-N 3.35Å; Q557-M559 PolarHBondContact O-N 3.29Å; M559-V578 HydrophobicContact CE-CG1 3.86Å; M559-V578 HydrophobicContact SD-CG1 4.48Å; M559-M599 HydrophobicContact CB-SD 4.07Å; M559-M599 HydrophobicContact CG-SD 4.27Å; M559-M639 HydrophobicContact CB-CE 3.92Å; M559-M639 HydrophobicContact CE-CE 4.4Å; M559-M639 HydrophobicContact CG-CE 3.84Å; M559-M639 WeakPolarHBondContact O-CB 3.44Å; M559-M639 PolarHBondContact O-N 2.87Å; M559-M639 HydrophobicContact SD-CE 3.59Å; M559-M639 VanDerWaalsContact SD-CE 3.59Å; M559-M642 HydrophobicContact SD-CE 3.54Å; M559-M642 VanDerWaalsContact SD-CE 3.54Å |
| 560 | A | 94 | Very high | 93.2 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -90.3 | -16.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G556 Q557 A558 F596 V600 I612 Y617 | G556-A560 VanDerWaalsContact O-CB 3.31Å; G556-A560 WeakPolarHBondContact O-CB 3.46Å; G556-A560 PolarHBondContact O-N 2.95Å; Q557-A560 PolarHBondContact O-N 3.33Å; A558-A560 PolarHBondContact O-N 3.49Å; A560-F596 HydrophobicContact CB-CE2 4.12Å; A560-F596 HydrophobicContact CB-CZ 4.08Å; A560-V600 HydrophobicContact CB-CG2 4.01Å; A560-I612 HydrophobicContact CB-CD1 4.14Å; A560-I612 HydrophobicContact CB-CG2 4.39Å; A560-Y617 PolarHBondContact O-OH 3.14Å |
| 561 | S | 93.6 | Very high | 93.3 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 6% | 0.056 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -82.8 | 171.4 | -177.7 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | Q557 L638 | Q557-S561 WeakPolarHBondContact O-CB 3.47Å; Q557-S561 PolarHBondContact O-N 2.91Å; Q557-S561 PolarHBondContact O-OG 3.33Å; S561-L638 PolarHBondContact O-N 3.18Å |
| 562 | T | 93.6 | Very high | 93.3 | Very high | 61 Ų | 61 | 35 Ų | 35 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | trans | -65.3 | 161.5 | 165.5 | 56 | 0 | 0 | 0 | 0 | 111 | E564 K565 A566 | T562-E564 VanDerWaalsContact C-N 3.35Å; T562-E564 PolarHBondContact O-N 2.95Å; T562-K565 PolarHBondContact O-N 3.42Å; T562-A566 VanDerWaalsContact O-CB 3.32Å; T562-A566 WeakPolarHBondContact O-CB 3.44Å; T562-A566 PolarHBondContact O-N 3.3Å | ||
| 563 | E | 91.9 | Very high | 93.3 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.2 | -40.4 | -174.3 | -170.1 | 167.2 | 179.3 | 0 | 0 | 114.2 | A566 Y567 L638 K641 D676 V677 | E563-A566 PolarHBondContact O-N 3.02Å; E563-Y567 VanDerWaalsContact O-CB 3.3Å; E563-Y567 WeakPolarHBondContact O-CB 3.24Å; E563-Y567 PolarHBondContact O-N 3.4Å; E563-L638 HydrophobicContact CB-CD1 4.34Å; E563-L638 HydrophobicContact CG-CD1 4.12Å; E563-K641 IonicContact OE2-NZ 3.19Å; E563-K641 PolarHBondContact OE2-NZ 3.18Å; E563-D676 PolarHBondContact OE1-N 2.81Å; E563-V677 HydrophobicContact CG-CB 4.12Å; E563-V677 HydrophobicContact CG-CG1 3.92Å; E563-V677 HydrophobicContact CG-CG2 3.29Å; E563-V677 WeakPolarHBondContact OE1-CG2 3.41Å; E563-V677 PolarHBondContact OE1-N 3.46Å |
| 564 | E | 91.1 | Very high | 93.4 | Very high | 103 Ų | 103 | 39.8 Ų | 39.8 | 48% | 0.481 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.3 | -52.3 | 177.2 | -67.1 | 166.9 | -173.2 | 0 | 0 | 112.3 | T562 A566 Y567 E568 | T562-E564 VanDerWaalsContact C-N 3.35Å; T562-E564 PolarHBondContact O-N 2.95Å; E564-A566 VanDerWaalsContact C-N 3.33Å; E564-A566 PolarHBondContact O-N 3.4Å; E564-Y567 WeakPolarHBondContact O-CB 3.46Å; E564-Y567 PolarHBondContact O-N 3.28Å; E564-E568 PolarHBondContact O-N 2.97Å; E564-E568 VanDerWaalsContact O-N 3.14Å |
| 565 | K | 92 | Very high | 93.4 | Very high | 102 Ų | 102 | 37.1 Ų | 37.1 | 44% | 0.443 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 178.8 | -71.1 | -177 | 179.1 | 179.9 | 0 | 111.5 | T562 Y567 E568 I569 | T562-K565 PolarHBondContact O-N 3.42Å; K565-Y567 VanDerWaalsContact C-N 3.29Å; K565-Y567 PolarHBondContact O-N 3.11Å; K565-E568 PolarHBondContact O-N 2.86Å; K565-I569 WeakPolarHBondContact O-CG1 3.44Å; K565-I569 PolarHBondContact O-N 3.49Å |
| 566 | A | 93.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -35.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A558 T562 E563 E564 I569 M570 L638 | A558-A566 HydrophobicContact CB-CB 4.5Å; A558-A566 WeakPolarHBondContact O-CB 3.26Å; T562-A566 VanDerWaalsContact O-CB 3.32Å; T562-A566 WeakPolarHBondContact O-CB 3.44Å; T562-A566 PolarHBondContact O-N 3.3Å; E563-A566 PolarHBondContact O-N 3.02Å; E564-A566 VanDerWaalsContact C-N 3.33Å; E564-A566 PolarHBondContact O-N 3.4Å; A566-I569 PolarHBondContact O-N 3.26Å; A566-M570 HydrophobicContact CB-CE 4.38Å; A566-M570 WeakPolarHBondContact O-CB 3.41Å; A566-M570 VanDerWaalsContact O-CG 3.29Å; A566-M570 WeakPolarHBondContact O-CG 3.41Å; A566-M570 PolarHBondContact O-N 3.27Å; A566-L638 HydrophobicContact CB-CB 4.2Å; A566-L638 HydrophobicContact CB-CD2 3.6Å; A566-L638 HydrophobicContact CB-CG 4.3Å |
| 567 | Y | 93.8 | Very high | 93.6 | Very high | 33 Ų | 33 | 40 Ų | 40 | 13% | 0.129 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.3 | -172 | -115.1 | 0 | 0 | 0 | 112.4 | E563 E564 K565 I569 M570 R571 V677 V694 K695 D696 L697 | E563-Y567 VanDerWaalsContact O-CB 3.3Å; E563-Y567 WeakPolarHBondContact O-CB 3.24Å; E563-Y567 PolarHBondContact O-N 3.4Å; E564-Y567 WeakPolarHBondContact O-CB 3.46Å; E564-Y567 PolarHBondContact O-N 3.28Å; K565-Y567 VanDerWaalsContact C-N 3.29Å; K565-Y567 PolarHBondContact O-N 3.11Å; Y567-I569 VanDerWaalsContact C-N 3.29Å; Y567-I569 PolarHBondContact O-N 2.66Å; Y567-M570 HydrophobicContact CD2-CE 4.37Å; Y567-M570 PolarHBondContact O-N 3.4Å; Y567-R571 HydrophobicContact CD1-CG 4.23Å; Y567-R571 HydrophobicContact CD2-CG 4.29Å; Y567-R571 HydrophobicContact CE1-CG 3.94Å; Y567-R571 HydrophobicContact CE2-CG 4.04Å; Y567-R571 HydrophobicContact CG-CG 4.4Å; Y567-R571 WeakPolarHBondContact O-CB 3.47Å; Y567-R571 VanDerWaalsContact O-CG 3.28Å; Y567-R571 WeakPolarHBondContact O-CG 3.32Å; Y567-R571 PolarHBondContact O-N 3.42Å; Y567-V677 HydrophobicContact CD1-CG1 4.33Å; Y567-V677 HydrophobicContact CD2-CB 3.51Å; Y567-V677 HydrophobicContact CD2-CG1 4.05Å; Y567-V677 HydrophobicContact CD2-CG2 3.84Å; Y567-V677 HydrophobicContact CE2-CB 4.02Å; Y567-V677 HydrophobicContact CG-CB 3.85Å; Y567-V677 HydrophobicContact CG-CG1 3.86Å; Y567-V677 HydrophobicContact CG-CG2 4.21Å; Y567-V694 HydrophobicContact CD2-CG1 4Å; Y567-V694 HydrophobicContact CE2-CG1 3.62Å; Y567-K695 WeakPolarHBondContact CE2-O 3.46Å; Y567-K695 PolarHBondContact OH-O 3.37Å; Y567-D696 PolarHBondContact OH-O 3.43Å; Y567-L697 HydrophobicContact CE1-CD2 3.93Å; Y567-L697 PolarHBondContact OH-N 2.93Å |
| 568 | E | 92.4 | Very high | 93.8 | Very high | 138 Ų | 138 | 40 Ų | 40 | 65% | 0.645 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -55.4 | -45.7 | 173 | -67.5 | 178.6 | 173.5 | 0 | 0 | 111.6 | E564 K565 R571 E572 | E564-E568 PolarHBondContact O-N 2.97Å; E564-E568 VanDerWaalsContact O-N 3.14Å; K565-E568 PolarHBondContact O-N 2.86Å; E568-R571 PolarHBondContact O-N 3.2Å; E568-E572 WeakPolarHBondContact O-CB 3.22Å; E568-E572 PolarHBondContact O-N 3.44Å |
| 569 | I | 93 | Very high | 93.9 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.3 | -43.8 | 178.8 | -59 | 174.4 | 0 | 0 | 0 | 111.4 | R554 Q557 A558 K565 A566 Y567 R571 E572 L573 | R554-I569 HydrophobicContact CG-CG2 3.77Å; Q557-I569 HydrophobicContact CB-CD1 3.92Å; A558-I569 HydrophobicContact CB-CB 4.12Å; A558-I569 HydrophobicContact CB-CD1 4.27Å; A558-I569 HydrophobicContact CB-CG2 3.9Å; K565-I569 WeakPolarHBondContact O-CG1 3.44Å; K565-I569 PolarHBondContact O-N 3.49Å; A566-I569 PolarHBondContact O-N 3.26Å; Y567-I569 VanDerWaalsContact C-N 3.29Å; Y567-I569 PolarHBondContact O-N 2.66Å; I569-R571 VanDerWaalsContact C-N 3.27Å; I569-R571 PolarHBondContact O-N 3.2Å; I569-E572 PolarHBondContact O-N 2.72Å; I569-L573 HydrophobicContact CG2-CD1 4.04Å; I569-L573 WeakPolarHBondContact O-CG 3.41Å; I569-L573 PolarHBondContact O-N 3.24Å; I569-L573 VanDerWaalsContact O-N 3.11Å |
| 570 | M | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -37 | 178.4 | -75.8 | -173.6 | -67.2 | 0 | 0 | 111.6 | M523 A566 Y567 D574 V575 V578 L638 V677 L678 V694 | M523-M570 HydrophobicContact CE-CG 3.64Å; M523-M570 HydrophobicContact CE-SD 3.63Å; M523-M570 HydrophobicContact SD-CG 4.08Å; A566-M570 HydrophobicContact CB-CE 4.38Å; A566-M570 WeakPolarHBondContact O-CB 3.41Å; A566-M570 VanDerWaalsContact O-CG 3.29Å; A566-M570 WeakPolarHBondContact O-CG 3.41Å; A566-M570 PolarHBondContact O-N 3.27Å; Y567-M570 HydrophobicContact CD2-CE 4.37Å; Y567-M570 PolarHBondContact O-N 3.4Å; M570-D574 PolarHBondContact O-N 2.94Å; M570-V575 HydrophobicContact CB-CB 4.08Å; M570-V575 HydrophobicContact CB-CG2 4.32Å; M570-V575 HydrophobicContact CG-CB 4.35Å; M570-V575 HydrophobicContact CG-CG2 4.41Å; M570-V575 WeakPolarHBondContact O-CB 3.39Å; M570-V575 PolarHBondContact O-N 3.25Å; M570-V578 HydrophobicContact SD-CG2 3.62Å; M570-L638 HydrophobicContact CE-CD2 4.2Å; M570-L638 HydrophobicContact SD-CD2 4.47Å; M570-V677 HydrophobicContact CE-CG2 4.15Å; M570-L678 HydrophobicContact CE-CD2 3.94Å; M570-L678 HydrophobicContact CE-CG 4.43Å; M570-L678 HydrophobicContact SD-CD2 4.13Å; M570-V694 HydrophobicContact SD-CG2 3.86Å |
| 571 | R | 92.7 | Very high | 94.1 | Very high | 88 Ų | 88 | 39.9 Ų | 39.9 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -72.7 | -39 | 175 | -67.9 | -58.4 | -58.4 | -167.8 | 0.8 | 112.5 | Y567 E568 I569 L573 D574 D696 | Y567-R571 HydrophobicContact CD1-CG 4.23Å; Y567-R571 HydrophobicContact CD2-CG 4.29Å; Y567-R571 HydrophobicContact CE1-CG 3.94Å; Y567-R571 HydrophobicContact CE2-CG 4.04Å; Y567-R571 HydrophobicContact CG-CG 4.4Å; Y567-R571 WeakPolarHBondContact O-CB 3.47Å; Y567-R571 VanDerWaalsContact O-CG 3.28Å; Y567-R571 WeakPolarHBondContact O-CG 3.32Å; Y567-R571 PolarHBondContact O-N 3.42Å; E568-R571 PolarHBondContact O-N 3.2Å; I569-R571 VanDerWaalsContact C-N 3.27Å; I569-R571 PolarHBondContact O-N 3.2Å; R571-L573 PolarHBondContact O-N 3.1Å; R571-D574 PolarHBondContact O-N 3.3Å; R571-D696 IonicContact NH1-OD1 3.9Å |
| 572 | E | 92.2 | Very high | 94.2 | Very high | 122 Ų | 122 | 39.5 Ų | 39.5 | 57% | 0.57 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -58.2 | -34.6 | 174.2 | -176.1 | -171.8 | 176.9 | 0 | 0 | 112.1 | R554 E568 I569 | R554-E572 IonicContact CZ-OE2 3.25Å; R554-E572 IonicContact NE-OE2 3.43Å; R554-E572 PolarHBondContact NE-OE2 3.28Å; R554-E572 IonicContact NH2-OE2 2.68Å; R554-E572 PolarHBondContact NH2-OE2 3.2Å; E568-E572 WeakPolarHBondContact O-CB 3.22Å; E568-E572 PolarHBondContact O-N 3.44Å; I569-E572 PolarHBondContact O-N 2.72Å |
| 573 | L | 93.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 10.9 | -177.9 | -59.7 | 177.1 | 0 | 0 | 0 | 114 | Y78 L541 R554 I569 R571 V575 | Y78-L573 WeakPolarHBondContact CE1-O 2.88Å; L541-L573 HydrophobicContact CD2-CB 3.65Å; L541-L573 HydrophobicContact CD2-CD1 3.84Å; L541-L573 HydrophobicContact CD2-CG 4.34Å; R554-L573 HydrophobicContact CG-CD1 4.1Å; I569-L573 HydrophobicContact CG2-CD1 4.04Å; I569-L573 WeakPolarHBondContact O-CG 3.41Å; I569-L573 PolarHBondContact O-N 3.24Å; I569-L573 VanDerWaalsContact O-N 3.11Å; R571-L573 PolarHBondContact O-N 3.1Å; L573-V575 VanDerWaalsContact C-N 3.26Å; L573-V575 HydrophobicContact CB-CG2 4.09Å; L573-V575 PolarHBondContact O-N 3.04Å |
| 574 | D | 94.2 | Very high | 94 | Very high | 86 Ų | 86 | 36.2 Ų | 36.2 | 46% | 0.46 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 40.9 | -177.7 | -67.3 | -42.5 | 0 | 0 | 0 | 114.3 | Y78 M570 R571 S576 | Y78-D574 HydrophobicContact CE1-CB 4.03Å; Y78-D574 PolarHBondContact OH-OD2 2.71Å; M570-D574 PolarHBondContact O-N 2.94Å; R571-D574 PolarHBondContact O-N 3.3Å; D574-S576 PolarHBondContact O-N 2.97Å |
| 575 | V | 95 | Very high | 93.9 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | trans | -69.8 | 129.2 | -180 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | M523 L541 M570 L573 Y577 V578 V694 | M523-V575 HydrophobicContact CB-CB 4.47Å; M523-V575 HydrophobicContact CB-CG1 3.57Å; M523-V575 HydrophobicContact CB-CG2 3.97Å; M523-V575 HydrophobicContact SD-CG2 4.2Å; L541-V575 HydrophobicContact CD1-CG2 4.24Å; L541-V575 HydrophobicContact CD2-CG2 3.45Å; L541-V575 VanDerWaalsContact CD2-CG2 3.45Å; M570-V575 HydrophobicContact CB-CB 4.08Å; M570-V575 HydrophobicContact CB-CG2 4.32Å; M570-V575 HydrophobicContact CG-CB 4.35Å; M570-V575 HydrophobicContact CG-CG2 4.41Å; M570-V575 WeakPolarHBondContact O-CB 3.39Å; M570-V575 PolarHBondContact O-N 3.25Å; L573-V575 VanDerWaalsContact C-N 3.26Å; L573-V575 HydrophobicContact CB-CG2 4.09Å; L573-V575 PolarHBondContact O-N 3.04Å; V575-Y577 VanDerWaalsContact CG1-O 3.28Å; V575-Y577 WeakPolarHBondContact CG1-O 3.49Å; V575-V578 HydrophobicContact CG1-CG2 4.09Å; V575-V694 HydrophobicContact CB-CG2 4.38Å; V575-V694 HydrophobicContact CG1-CG2 3.91Å | ||
| 576 | S | 95.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 29.7 Ų | 29.7 | 27% | 0.266 | 14% | 0.144 | S | C | . | . | trans | -98.1 | -42.7 | 175.4 | -43.1 | 0 | 0 | 0 | 0 | 112.3 | K521 D574 V694 | K521-S576 PolarHBondContact N-OG 3.35Å; K521-S576 PolarHBondContact O-N 3.38Å; D574-S576 PolarHBondContact O-N 2.97Å; S576-V694 PolarHBondContact O-N 2.89Å | ||
| 577 | Y | 97.2 | Very high | 93.4 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 9% | 0.094 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 150.4 | -178.6 | -66.2 | -84.7 | 0 | 0 | 0 | 111.2 | W511 T516 A520 K521 V522 M523 V575 A681 I691 Y692 K693 | W511-Y577 HydrophobicContact CH2-CE1 4.36Å; T516-Y577 HydrophobicContact CG2-CD2 4.1Å; T516-Y577 HydrophobicContact CG2-CE1 4.13Å; T516-Y577 HydrophobicContact CG2-CE2 3.52Å; A520-Y577 HydrophobicContact CB-CD2 3.99Å; A520-Y577 HydrophobicContact CB-CE2 3.93Å; K521-Y577 PolarHBondContact O-N 3.48Å; V522-Y577 CarbonylContact C-O 3.53Å; V522-Y577 WeakPolarHBondContact CA-O 3.08Å; M523-Y577 PolarHBondContact N-O 3.31Å; V575-Y577 VanDerWaalsContact CG1-O 3.28Å; V575-Y577 WeakPolarHBondContact CG1-O 3.49Å; Y577-A681 HydrophobicContact CD1-CB 4.48Å; Y577-A681 HydrophobicContact CE1-CB 4.22Å; Y577-I691 HydrophobicContact CD1-CG2 3.95Å; Y577-I691 HydrophobicContact CG-CG2 4.49Å; Y577-Y692 CarbonylContact C-O 3.45Å; Y577-Y692 WeakPolarHBondContact CA-O 3.34Å; Y577-K693 HydrophobicContact CD1-CB 3.86Å; Y577-K693 HydrophobicContact CD1-CG 4.41Å; Y577-K693 HydrophobicContact CE1-CB 3.72Å; Y577-K693 HydrophobicContact CE1-CD 3.88Å; Y577-K693 HydrophobicContact CE1-CG 4.03Å |
| 578 | V | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.1 | 174.3 | -168.5 | 0 | 0 | 0 | 0 | 108.7 | M523 M559 M570 V575 M642 L678 I691 Y692 V694 | M523-V578 HydrophobicContact CB-CG2 4.49Å; M523-V578 HydrophobicContact CE-CB 4.38Å; M523-V578 HydrophobicContact CE-CG1 3.67Å; M523-V578 HydrophobicContact CE-CG2 3.78Å; M523-V578 CarbonylContact O-C 3.6Å; M523-V578 WeakPolarHBondContact O-CA 3.38Å; M559-V578 HydrophobicContact CE-CG1 3.86Å; M559-V578 HydrophobicContact SD-CG1 4.48Å; M570-V578 HydrophobicContact SD-CG2 3.62Å; V575-V578 HydrophobicContact CG1-CG2 4.09Å; V578-M642 HydrophobicContact CB-SD 4.21Å; V578-M642 HydrophobicContact CG1-CE 3.99Å; V578-M642 HydrophobicContact CG1-SD 3.68Å; V578-L678 HydrophobicContact CG2-CD2 4.27Å; V578-I691 WeakPolarHBondContact O-CA 3.25Å; V578-Y692 PolarHBondContact N-O 3.27Å; V578-Y692 PolarHBondContact O-N 3.1Å; V578-V694 HydrophobicContact CG2-CG2 3.99Å |
| 579 | L | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.2 | 177 | -178.3 | 153.3 | 0 | 0 | 0 | 109.5 | Y509 L512 V522 M523 I532 I581 V689 I691 | Y509-L579 HydrophobicContact CD1-CD1 4.28Å; Y509-L579 HydrophobicContact CE1-CD1 3.87Å; L512-L579 HydrophobicContact CD1-CD1 3.89Å; V522-L579 HydrophobicContact CG1-CB 4.06Å; M523-L579 PolarHBondContact O-N 3.49Å; I532-L579 HydrophobicContact CD1-CD1 4.34Å; L579-I581 HydrophobicContact CD2-CG1 4.34Å; L579-V689 HydrophobicContact CD1-CG1 3.81Å; L579-V689 HydrophobicContact CD2-CG1 4.08Å; L579-V689 HydrophobicContact CG-CG1 3.78Å; L579-I691 HydrophobicContact CD1-CG1 4.3Å; L579-I691 HydrophobicContact CG-CG1 4.42Å |
| 580 | V | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 147.7 | 174.1 | -61.8 | 0 | 0 | 0 | 0 | 111 | D592 M639 M642 R690 Y692 | V580-D592 WeakPolarHBondContact CA-OD2 3.48Å; V580-M639 HydrophobicContact CB-SD 4.34Å; V580-M639 HydrophobicContact CG1-CE 4.16Å; V580-M639 HydrophobicContact CG1-SD 3.88Å; V580-M642 HydrophobicContact CG1-CB 4.29Å; V580-M642 HydrophobicContact CG1-CE 3.51Å; V580-M642 HydrophobicContact CG1-SD 4.04Å; V580-M642 HydrophobicContact CG2-CB 4.16Å; V580-R690 HydrophobicContact CG2-CB 3.94Å; V580-R690 PolarHBondContact N-O 3.4Å; V580-R690 PolarHBondContact O-N 2.94Å; V580-Y692 HydrophobicContact CG2-CD2 4.34Å; V580-Y692 HydrophobicContact CG2-CE2 3.87Å |
| 581 | I | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.2 | 174.8 | -55.9 | -161.2 | 0 | 0 | 0 | 109.8 | F505 Y528 L579 Y588 D591 D592 L688 | F505-I581 HydrophobicContact CD1-CD1 4.45Å; F505-I581 HydrophobicContact CE1-CD1 3.41Å; F505-I581 VanDerWaalsContact CE1-CD1 3.41Å; F505-I581 HydrophobicContact CZ-CD1 3.92Å; Y528-I581 HydrophobicContact CD1-CD1 3.81Å; Y528-I581 HydrophobicContact CD2-CD1 4.2Å; Y528-I581 HydrophobicContact CD2-CG1 4.41Å; Y528-I581 HydrophobicContact CE1-CD1 3.28Å; Y528-I581 HydrophobicContact CE1-CG1 4.28Å; Y528-I581 HydrophobicContact CE2-CD1 3.71Å; Y528-I581 HydrophobicContact CE2-CG1 3.82Å; Y528-I581 HydrophobicContact CG-CD1 4.25Å; L579-I581 HydrophobicContact CD2-CG1 4.34Å; I581-Y588 HydrophobicContact CG2-CD1 4.32Å; I581-Y588 HydrophobicContact CG2-CE1 4.22Å; I581-D591 HydrophobicContact CG2-CB 4.3Å; I581-D592 PolarHBondContact N-OD2 3.38Å; I581-D592 PolarHBondContact O-N 2.85Å; I581-L688 CarbonylContact C-O 3.6Å; I581-L688 VanDerWaalsContact CA-O 3.3Å; I581-L688 WeakPolarHBondContact CA-O 3.16Å; I581-L688 WeakPolarHBondContact CG2-O 3.37Å |
| 582 | F | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -126.4 | 113.2 | -178.8 | 173.8 | -117.4 | 0 | 0 | 0 | 111.5 | C643 Y644 F647 W687 L688 | F582-C643 HydrophobicContact CB-CB 4.41Å; F582-C643 HydrophobicContact CD2-CB 3.86Å; F582-C643 HydrophobicContact CG-CB 4.36Å; F582-Y644 AromaticContact CE2-CD1 3.75Å; F582-Y644 HydrophobicContact CE2-CD1 3.75Å; F582-Y644 AromaticContact CE2-CE1 3.51Å; F582-Y644 HydrophobicContact CE2-CE1 3.51Å; F582-Y644 AromaticContact CZ-CD1 3.95Å; F582-Y644 HydrophobicContact CZ-CD1 3.95Å; F582-Y644 AromaticContact CZ-CE1 3.92Å; F582-Y644 HydrophobicContact CZ-CE1 3.92Å; F582-F647 AromaticContact CE1-CD2 3.64Å; F582-F647 HydrophobicContact CE1-CD2 3.64Å; F582-F647 AromaticContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CG 4.21Å; F582-F647 HydrophobicContact CE1-CZ 4.25Å; F582-F647 HydrophobicContact CZ-CD1 4.07Å; F582-F647 AromaticContact CZ-CD2 3.75Å; F582-F647 HydrophobicContact CZ-CD2 3.75Å; F582-F647 AromaticContact CZ-CE1 3.99Å; F582-F647 HydrophobicContact CZ-CE1 3.99Å; F582-F647 AromaticContact CZ-CE2 3.65Å; F582-F647 HydrophobicContact CZ-CE2 3.65Å; F582-F647 AromaticContact CZ-CG 3.95Å; F582-F647 HydrophobicContact CZ-CG 3.95Å; F582-F647 AromaticContact CZ-CZ 3.77Å; F582-F647 HydrophobicContact CZ-CZ 3.77Å; F582-W687 HydrophobicContact CD1-CB 4.37Å; F582-W687 HydrophobicContact CE1-CE3 4.48Å; F582-L688 PolarHBondContact N-O 3.06Å; F582-L688 VanDerWaalsContact O-CA 3.31Å; F582-L688 WeakPolarHBondContact O-CA 3.39Å | ||
| 583 | G | 92.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -97.1 | 1.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L585 T586 G587 Y588 D591 V663 | G583-L585 VanDerWaalsContact C-N 3.3Å; G583-L585 PolarHBondContact O-N 3.18Å; G583-T586 PolarHBondContact O-N 3.06Å; G583-T586 PolarHBondContact O-OG1 2.82Å; G583-G587 WeakPolarHBondContact O-CA 3.49Å; G583-G587 PolarHBondContact O-N 2.62Å; G583-Y588 WeakPolarHBondContact CA-O 3.47Å; G583-Y588 PolarHBondContact O-N 2.84Å; G583-Y588 VanDerWaalsContact O-N 3.09Å; G583-D591 VanDerWaalsContact N-CB 3.26Å; G583-D591 PolarHBondContact N-OD2 3.27Å; G583-V663 WeakPolarHBondContact O-CG2 3.45Å | ||
| 584 | G | 89.8 | Confident | 92.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D661 R662 | G584-D661 WeakPolarHBondContact CA-OD1 3.31Å; G584-R662 WeakPolarHBondContact O-CB 3.36Å; G584-R662 PolarHBondContact O-N 2.79Å |
| 585 | L | 89.2 | Confident | 92.7 | Very high | 33 Ų | 33 | 22.1 Ų | 22.1 | 17% | 0.173 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -42.7 | 177 | -177.1 | 60.3 | 0 | 0 | 0 | 112.6 | G583 F647 V650 T652 R662 W687 | G583-L585 VanDerWaalsContact C-N 3.3Å; G583-L585 PolarHBondContact O-N 3.18Å; L585-F647 HydrophobicContact CB-CE2 4.34Å; L585-V650 HydrophobicContact CD1-CG1 4.27Å; L585-T652 HydrophobicContact CD1-CG2 3.66Å; L585-R662 VanDerWaalsContact O-CD 3.25Å; L585-R662 WeakPolarHBondContact O-CD 3.15Å; L585-R662 VanDerWaalsContact O-CZ 3.32Å; L585-R662 PolarHBondContact O-NE 2.9Å; L585-R662 PolarHBondContact O-NH1 2.95Å; L585-R662 VanDerWaalsContact O-NH1 3.11Å; L585-W687 HydrophobicContact CB-CB 4.43Å; L585-W687 HydrophobicContact CD2-CB 3.98Å; L585-W687 HydrophobicContact CD2-CD2 4.42Å; L585-W687 HydrophobicContact CD2-CG 3.91Å |
| 586 | T | 86.3 | Confident | 92.7 | Very high | 35 Ų | 35 | 21.8 Ų | 21.8 | 22% | 0.215 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -23.9 | -174.8 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | F502 G583 Y588 H686 L688 | F502-T586 HydrophobicContact CE1-CG2 4.35Å; G583-T586 PolarHBondContact O-N 3.06Å; G583-T586 PolarHBondContact O-OG1 2.82Å; T586-Y588 PolarHBondContact OG1-N 2.71Å; T586-H686 HydrophobicContact CG2-CB 3.49Å; T586-H686 VanDerWaalsContact CG2-CB 3.49Å; T586-L688 HydrophobicContact CG2-CD2 4.23Å; T586-L688 HydrophobicContact CG2-CG 4.09Å; T586-L688 WeakPolarHBondContact OG1-CD2 3.33Å |
| 587 | G | 87.4 | Confident | 92.5 | Very high | 37 Ų | 37 | 21.4 Ų | 21.4 | 38% | 0.381 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 20.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G583 S589 V663 | G583-G587 WeakPolarHBondContact O-CA 3.49Å; G583-G587 PolarHBondContact O-N 2.62Å; G587-S589 PolarHBondContact O-N 3.11Å; G587-V663 VanDerWaalsContact C-CG2 3.48Å |
| 588 | Y | 89.3 | Confident | 92.3 | Very high | 47 Ų | 47 | 23.6 Ų | 23.6 | 18% | 0.184 | 14% | 0.136 | C | C | . | . | trans | -75.8 | 110 | 178.1 | -177.3 | -111.2 | 0 | 0 | 0 | 111.3 | L490 F505 I581 G583 T586 S590 V663 L688 | L490-Y588 HydrophobicContact CD1-CD2 3.56Å; L490-Y588 HydrophobicContact CD1-CE2 3.55Å; L490-Y588 HydrophobicContact CD1-CG 4.28Å; L490-Y588 HydrophobicContact CD2-CE2 3.96Å; L490-Y588 HydrophobicContact CG-CE2 4.42Å; F505-Y588 HydrophobicContact CZ-CE1 4.42Å; I581-Y588 HydrophobicContact CG2-CD1 4.32Å; I581-Y588 HydrophobicContact CG2-CE1 4.22Å; G583-Y588 WeakPolarHBondContact CA-O 3.47Å; G583-Y588 PolarHBondContact O-N 2.84Å; G583-Y588 VanDerWaalsContact O-N 3.09Å; T586-Y588 PolarHBondContact OG1-N 2.71Å; Y588-S590 VanDerWaalsContact C-N 3.33Å; Y588-S590 WeakPolarHBondContact CE1-O 3.27Å; Y588-S590 PolarHBondContact O-N 3.33Å; Y588-V663 WeakPolarHBondContact O-CG2 3.34Å; Y588-L688 HydrophobicContact CD1-CD2 4.2Å; Y588-L688 HydrophobicContact CG-CD2 4.05Å | ||
| 589 | S | 87 | Confident | 92.2 | Very high | 75 Ų | 75 | 23.6 Ų | 23.6 | 52% | 0.524 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -72.6 | -20.3 | -174 | 59 | 0 | 0 | 0 | 0 | 114.8 | G587 D591 N594 | G587-S589 PolarHBondContact O-N 3.11Å; S589-D591 PolarHBondContact O-N 2.87Å; S589-N594 PolarHBondContact O-ND2 3.47Å |
| 590 | S | 87.4 | Confident | 92 | Very high | 53 Ų | 53 | 23.7 Ų | 23.7 | 37% | 0.371 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -91.9 | 38.9 | -175.3 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | Y588 | Y588-S590 VanDerWaalsContact C-N 3.33Å; Y588-S590 WeakPolarHBondContact CE1-O 3.27Å; Y588-S590 PolarHBondContact O-N 3.33Å |
| 591 | D | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -87.7 | 169.4 | 179.4 | 76.4 | -19 | 0 | 0 | 0 | 112.9 | I581 G583 S589 I593 N594 K595 R664 | I581-D591 HydrophobicContact CG2-CB 4.3Å; G583-D591 VanDerWaalsContact N-CB 3.26Å; G583-D591 PolarHBondContact N-OD2 3.27Å; S589-D591 PolarHBondContact O-N 2.87Å; D591-I593 PolarHBondContact O-N 2.86Å; D591-N594 PolarHBondContact O-N 2.81Å; D591-N594 PolarHBondContact OD1-N 3.02Å; D591-K595 PolarHBondContact O-N 3.49Å; D591-R664 IonicContact OD1-NH1 2.68Å; D591-R664 IonicContact OD2-CZ 2.67Å; D591-R664 IonicContact OD2-NH1 3.26Å; D591-R664 PolarHBondContact OD2-NH1 3.43Å; D591-R664 IonicContact OD2-NH2 3.05Å; D591-R664 PolarHBondContact OD2-NH2 2.88Å |
| 592 | D | 95.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.3 | -20 | -172.2 | -71.2 | -23.2 | 0 | 0 | 0 | 112.8 | Y528 V580 I581 K595 F596 M599 M639 | Y528-D592 VanDerWaalsContact CE2-OD1 3.31Å; Y528-D592 WeakPolarHBondContact CE2-OD1 3.18Å; Y528-D592 PolarHBondContact OH-OD1 3.49Å; V580-D592 WeakPolarHBondContact CA-OD2 3.48Å; I581-D592 PolarHBondContact N-OD2 3.38Å; I581-D592 PolarHBondContact O-N 2.85Å; D592-K595 CarbonylContact O-C 3.52Å; D592-K595 PolarHBondContact O-N 3.46Å; D592-F596 WeakPolarHBondContact O-CA 3.46Å; D592-F596 WeakPolarHBondContact O-CB 3.46Å; D592-F596 PolarHBondContact O-N 2.81Å; D592-M599 HydrophobicContact CB-CE 3.89Å; D592-M639 HydrophobicContact CB-CE 4.05Å; D592-M639 HydrophobicContact CB-SD 3.85Å |
| 593 | I | 94.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70 | -41.7 | 174.7 | -63.8 | -65.6 | 0 | 0 | 0 | 111.4 | D591 K595 F596 F624 V626 M639 C643 Y644 | D591-I593 PolarHBondContact O-N 2.86Å; I593-K595 VanDerWaalsContact C-N 3.29Å; I593-K595 PolarHBondContact O-N 3.35Å; I593-F596 WeakPolarHBondContact O-CB 3.45Å; I593-F596 PolarHBondContact O-N 2.97Å; I593-F624 HydrophobicContact CG2-CE1 4.33Å; I593-V626 HydrophobicContact CG2-CG1 4.18Å; I593-M639 HydrophobicContact CD1-CG 3.95Å; I593-C643 HydrophobicContact CD1-CB 4.01Å; I593-C643 HydrophobicContact CG1-CB 4.02Å; I593-Y644 HydrophobicContact CD1-CE2 4.43Å |
| 594 | N | 92.8 | Very high | 91.2 | Very high | 74 Ų | 74 | 28.6 Ų | 28.6 | 40% | 0.396 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69.8 | -28.2 | 174.2 | -78.2 | -20 | 0 | 0 | 0 | 112.6 | S589 D591 V663 | S589-N594 PolarHBondContact O-ND2 3.47Å; D591-N594 PolarHBondContact O-N 2.81Å; D591-N594 PolarHBondContact OD1-N 3.02Å; N594-V663 WeakPolarHBondContact ND2-CG1 3.37Å |
| 595 | K | 92.6 | Very high | 91 | Very high | 38 Ų | 38 | 31.8 Ų | 31.8 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -83.7 | -11.1 | 174.5 | -61.6 | 177.6 | -171.8 | -179.5 | 0 | 113.4 | D527 Y528 D591 D592 I593 L597 W598 M599 | D527-K595 WeakPolarHBondContact OD2-CE 3.46Å; D527-K595 IonicContact OD2-NZ 2.96Å; D527-K595 PolarHBondContact OD2-NZ 2.89Å; Y528-K595 PolarHBondContact OH-NZ 2.96Å; D591-K595 PolarHBondContact O-N 3.49Å; D592-K595 CarbonylContact O-C 3.52Å; D592-K595 PolarHBondContact O-N 3.46Å; I593-K595 VanDerWaalsContact C-N 3.29Å; I593-K595 PolarHBondContact O-N 3.35Å; K595-L597 VanDerWaalsContact C-N 3.31Å; K595-L597 PolarHBondContact O-N 3.48Å; K595-W598 WeakPolarHBondContact O-CB 3.31Å; K595-W598 PolarHBondContact O-N 2.83Å; K595-M599 HydrophobicContact CB-CE 4.33Å; K595-M599 PolarHBondContact O-N 3.02Å |
| 596 | F | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56 | -40.5 | -169.6 | -180 | -108.8 | 0 | 0 | 0 | 113.7 | A560 D592 I593 W598 M599 V600 Y617 F624 L634 C637 M639 | A560-F596 HydrophobicContact CB-CE2 4.12Å; A560-F596 HydrophobicContact CB-CZ 4.08Å; D592-F596 WeakPolarHBondContact O-CA 3.46Å; D592-F596 WeakPolarHBondContact O-CB 3.46Å; D592-F596 PolarHBondContact O-N 2.81Å; I593-F596 WeakPolarHBondContact O-CB 3.45Å; I593-F596 PolarHBondContact O-N 2.97Å; F596-W598 PolarHBondContact O-N 2.93Å; F596-M599 WeakPolarHBondContact O-CA 3.48Å; F596-M599 VanDerWaalsContact O-CB 3.27Å; F596-M599 WeakPolarHBondContact O-CB 3.3Å; F596-M599 PolarHBondContact O-N 2.84Å; F596-V600 HydrophobicContact CD1-CG2 3.95Å; F596-V600 HydrophobicContact CE1-CG2 3.48Å; F596-V600 VanDerWaalsContact CE1-CG2 3.48Å; F596-V600 HydrophobicContact CE2-CG2 4.23Å; F596-V600 HydrophobicContact CG-CG2 4.5Å; F596-V600 HydrophobicContact CZ-CG2 3.64Å; F596-V600 PolarHBondContact O-N 3.26Å; F596-Y617 AromaticContact CE1-CD1 3.54Å; F596-Y617 HydrophobicContact CE1-CD1 3.54Å; F596-Y617 AromaticContact CE1-CE1 3.83Å; F596-Y617 HydrophobicContact CE1-CE1 3.83Å; F596-Y617 HydrophobicContact CE1-CG 4.09Å; F596-Y617 AromaticContact CZ-CD1 3.9Å; F596-Y617 HydrophobicContact CZ-CD1 3.9Å; F596-Y617 AromaticContact CZ-CE1 3.68Å; F596-Y617 HydrophobicContact CZ-CE1 3.68Å; F596-F624 AromaticContact CD1-CE2 4Å; F596-F624 HydrophobicContact CD1-CE2 4Å; F596-F624 HydrophobicContact CD1-CZ 4.02Å; F596-L634 HydrophobicContact CD1-CD1 3.97Å; F596-L634 HydrophobicContact CE1-CD1 3.57Å; F596-L634 HydrophobicContact CZ-CD1 4.24Å; F596-C637 HydrophobicContact CZ-CB 4.37Å; F596-M639 HydrophobicContact CD2-CB 3.78Å; F596-M639 HydrophobicContact CD2-CG 3.77Å; F596-M639 HydrophobicContact CE2-CB 3.67Å; F596-M639 HydrophobicContact CE2-CG 4.21Å |
| 597 | L | 92.8 | Very high | 90.6 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.5 | -32 | 177.8 | -77.3 | 159.9 | 0 | 0 | 0 | 112.7 | K595 V600 R601 E614 Y618 F624 | K595-L597 VanDerWaalsContact C-N 3.31Å; K595-L597 PolarHBondContact O-N 3.48Å; L597-V600 PolarHBondContact O-N 2.7Å; L597-R601 WeakPolarHBondContact O-CG 3.34Å; L597-R601 PolarHBondContact O-N 3.47Å; L597-E614 HydrophobicContact CD2-CG 4.11Å; L597-Y618 HydrophobicContact CD1-CE1 4.4Å; L597-Y618 HydrophobicContact CD2-CE1 3.71Å; L597-Y618 WeakPolarHBondContact CD2-OH 3.49Å; L597-F624 HydrophobicContact CD1-CB 4.49Å; L597-F624 HydrophobicContact CD1-CD2 4.35Å; L597-F624 HydrophobicContact CD1-CG 4.21Å; L597-F624 HydrophobicContact CD2-CD2 4.34Å; L597-F624 HydrophobicContact CG-CD2 4.36Å; L597-F624 HydrophobicContact CG-CE2 4.44Å |
| 598 | W | 92.6 | Very high | 90.4 | Very high | 70 Ų | 70 | 37.9 Ų | 37.9 | 27% | 0.265 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.6 | -37.3 | 172.8 | -69.6 | 113.2 | 0 | 0 | 0 | 112.1 | P344 A347 S348 K595 F596 V600 R601 I602 | P344-W598 HydrophobicContact CB-CZ3 4.42Å; A347-W598 HydrophobicContact CB-CH2 4.02Å; A347-W598 HydrophobicContact CB-CZ3 4.22Å; S348-W598 VanDerWaalsContact CB-CE3 3.5Å; K595-W598 WeakPolarHBondContact O-CB 3.31Å; K595-W598 PolarHBondContact O-N 2.83Å; F596-W598 PolarHBondContact O-N 2.93Å; W598-V600 VanDerWaalsContact C-N 3.29Å; W598-V600 PolarHBondContact O-N 2.94Å; W598-R601 PolarHBondContact O-N 2.83Å; W598-I602 WeakPolarHBondContact O-CB 3.47Å; W598-I602 WeakPolarHBondContact O-CD1 3.45Å; W598-I602 WeakPolarHBondContact O-CG1 2.99Å; W598-I602 PolarHBondContact O-N 3.23Å |
| 599 | M | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -40.5 | 173.6 | -49.1 | -171.5 | -172.5 | 0 | 0 | 111.1 | W525 M559 D592 K595 F596 G603 M639 | W525-M599 HydrophobicContact CB-CE 3.92Å; W525-M599 HydrophobicContact CD2-CE 3.74Å; W525-M599 HydrophobicContact CD2-CG 3.83Å; W525-M599 HydrophobicContact CD2-SD 4.02Å; W525-M599 HydrophobicContact CE3-CB 4.44Å; W525-M599 HydrophobicContact CE3-CE 4.17Å; W525-M599 HydrophobicContact CE3-CG 3.76Å; W525-M599 HydrophobicContact CE3-SD 3.86Å; W525-M599 HydrophobicContact CG-CE 3.61Å; W525-M599 HydrophobicContact CG-SD 4.48Å; W525-M599 HydrophobicContact CH2-CB 3.91Å; W525-M599 HydrophobicContact CH2-CG 3.73Å; W525-M599 HydrophobicContact CZ2-CB 4.35Å; W525-M599 HydrophobicContact CZ2-CG 3.76Å; W525-M599 HydrophobicContact CZ3-CB 3.96Å; W525-M599 HydrophobicContact CZ3-CG 3.73Å; W525-M599 HydrophobicContact CZ3-SD 4.3Å; M559-M599 HydrophobicContact CB-SD 4.07Å; M559-M599 HydrophobicContact CG-SD 4.27Å; D592-M599 HydrophobicContact CB-CE 3.89Å; K595-M599 HydrophobicContact CB-CE 4.33Å; K595-M599 PolarHBondContact O-N 3.02Å; F596-M599 WeakPolarHBondContact O-CA 3.48Å; F596-M599 VanDerWaalsContact O-CB 3.27Å; F596-M599 WeakPolarHBondContact O-CB 3.3Å; F596-M599 PolarHBondContact O-N 2.84Å; M599-G603 WeakPolarHBondContact O-CA 3.17Å; M599-G603 PolarHBondContact O-N 3.45Å; M599-M639 HydrophobicContact CE-CE 3.93Å; M599-M639 HydrophobicContact SD-CE 3.65Å |
| 600 | V | 93.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -48.8 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | A560 F596 L597 W598 I602 G603 G604 I612 E614 Y617 | A560-V600 HydrophobicContact CB-CG2 4.01Å; F596-V600 HydrophobicContact CD1-CG2 3.95Å; F596-V600 HydrophobicContact CE1-CG2 3.48Å; F596-V600 VanDerWaalsContact CE1-CG2 3.48Å; F596-V600 HydrophobicContact CE2-CG2 4.23Å; F596-V600 HydrophobicContact CG-CG2 4.5Å; F596-V600 HydrophobicContact CZ-CG2 3.64Å; F596-V600 PolarHBondContact O-N 3.26Å; L597-V600 PolarHBondContact O-N 2.7Å; W598-V600 VanDerWaalsContact C-N 3.29Å; W598-V600 PolarHBondContact O-N 2.94Å; V600-I602 PolarHBondContact O-N 3.19Å; V600-G603 PolarHBondContact O-N 3.46Å; V600-G604 PolarHBondContact O-N 2.83Å; V600-I612 HydrophobicContact CG1-CG2 3.81Å; V600-E614 HydrophobicContact CG1-CB 4.26Å; V600-Y617 HydrophobicContact CB-CD2 4.45Å; V600-Y617 HydrophobicContact CB-CE2 4.33Å; V600-Y617 HydrophobicContact CG1-CD2 3.62Å; V600-Y617 HydrophobicContact CG1-CE2 3.5Å; V600-Y617 HydrophobicContact CG2-CD2 3.93Å; V600-Y617 HydrophobicContact CG2-CE1 4.38Å; V600-Y617 HydrophobicContact CG2-CE2 3.79Å; V600-Y617 HydrophobicContact CG2-CG 4.3Å |
| 601 | R | 91.4 | Very high | 89.8 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 31% | 0.306 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 178.5 | -73.1 | 173 | -172.2 | 150.1 | 6.8 | 112.7 | P344 L597 W598 S605 E614 | P344-R601 HydrophobicContact CB-CB 4.37Å; L597-R601 WeakPolarHBondContact O-CG 3.34Å; L597-R601 PolarHBondContact O-N 3.47Å; W598-R601 PolarHBondContact O-N 2.83Å; R601-S605 WeakPolarHBondContact O-CB 3.15Å; R601-S605 PolarHBondContact O-N 2.87Å; R601-E614 WeakPolarHBondContact CG-OE2 3.31Å; R601-E614 IonicContact CZ-OE1 3.64Å; R601-E614 IonicContact CZ-OE2 3.32Å; R601-E614 VanDerWaalsContact NE-CD 3.25Å; R601-E614 IonicContact NE-OE1 2.62Å; R601-E614 PolarHBondContact NE-OE1 3.17Å; R601-E614 IonicContact NE-OE2 3.71Å; R601-E614 PolarHBondContact NE-OE2 3.28Å; R601-E614 IonicContact NH2-OE1 2.72Å; R601-E614 PolarHBondContact NH2-OE1 3.41Å; R601-E614 IonicContact NH2-OE2 3.2Å |
| 602 | I | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.3 | -41.4 | 179.1 | -64.2 | 164.1 | 0 | 0 | 0 | 110.2 | P344 I345 W525 I552 S553 W598 V600 G604 S605 | P344-I602 HydrophobicContact CB-CG1 4.32Å; P344-I602 HydrophobicContact CG-CG1 4.24Å; I345-I602 HydrophobicContact CD1-CG2 4.02Å; I345-I602 HydrophobicContact CG1-CD1 3.72Å; I345-I602 HydrophobicContact CG1-CG1 3.75Å; I345-I602 HydrophobicContact CG1-CG2 3.99Å; W525-I602 HydrophobicContact CH2-CB 4.44Å; W525-I602 HydrophobicContact CH2-CD1 4.02Å; W525-I602 HydrophobicContact CZ2-CD1 3.83Å; I552-I602 HydrophobicContact CG2-CG2 4.02Å; S553-I602 WeakPolarHBondContact CB-O 3.36Å; S553-I602 PolarHBondContact OG-O 3.37Å; W598-I602 WeakPolarHBondContact O-CB 3.47Å; W598-I602 WeakPolarHBondContact O-CD1 3.45Å; W598-I602 WeakPolarHBondContact O-CG1 2.99Å; W598-I602 PolarHBondContact O-N 3.23Å; V600-I602 PolarHBondContact O-N 3.19Å; I602-G604 VanDerWaalsContact C-N 3.33Å; I602-G604 PolarHBondContact O-N 3.28Å; I602-S605 WeakPolarHBondContact O-CB 3.33Å; I602-S605 PolarHBondContact O-N 3.42Å; I602-S605 PolarHBondContact O-OG 3.33Å |
| 603 | G | 90.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.2 | -43.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S553 Q557 M599 V600 S605 G609 | S553-G603 PolarHBondContact OG-O 2.83Å; S553-G603 VanDerWaalsContact OG-O 3.05Å; Q557-G603 PolarHBondContact NE2-O 3.1Å; M599-G603 WeakPolarHBondContact O-CA 3.17Å; M599-G603 PolarHBondContact O-N 3.45Å; V600-G603 PolarHBondContact O-N 3.46Å; G603-S605 VanDerWaalsContact C-N 3.34Å; G603-S605 PolarHBondContact O-N 2.97Å; G603-G609 VanDerWaalsContact O-CA 3.32Å; G603-G609 WeakPolarHBondContact O-CA 3.49Å |
| 604 | G | 89.3 | Confident | 89.1 | Confident | 23 Ų | 23 | 49 Ų | 49 | 24% | 0.237 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -7.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | V600 I602 T606 G609 | V600-G604 PolarHBondContact O-N 2.83Å; I602-G604 VanDerWaalsContact C-N 3.33Å; I602-G604 PolarHBondContact O-N 3.28Å; G604-T606 VanDerWaalsContact C-N 3.33Å; G604-T606 PolarHBondContact O-N 3.15Å; G604-G609 WeakPolarHBondContact CA-O 2.9Å |
| 605 | S | 86.3 | Confident | 89 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 46% | 0.462 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -16.5 | -176 | 70.3 | 0 | 0 | 0 | 0 | 114.7 | R601 I602 G603 | R601-S605 WeakPolarHBondContact O-CB 3.15Å; R601-S605 PolarHBondContact O-N 2.87Å; I602-S605 WeakPolarHBondContact O-CB 3.33Å; I602-S605 PolarHBondContact O-N 3.42Å; I602-S605 PolarHBondContact O-OG 3.33Å; G603-S605 VanDerWaalsContact C-N 3.34Å; G603-S605 PolarHBondContact O-N 2.97Å |
| 606 | T | 85.6 | Confident | 89 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 14% | 0.141 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -101.2 | 157.9 | -179.6 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | T550 S553 Q557 G604 T608 G609 K610 | T550-T606 HydrophobicContact CG2-CG2 4.31Å; S553-T606 VanDerWaalsContact CB-CG2 3.45Å; S553-T606 VanDerWaalsContact OG-CG2 3.26Å; S553-T606 WeakPolarHBondContact OG-CG2 3.44Å; S553-T606 PolarHBondContact OG-OG1 3.33Å; Q557-T606 PolarHBondContact NE2-OG1 3.2Å; G604-T606 VanDerWaalsContact C-N 3.33Å; G604-T606 PolarHBondContact O-N 3.15Å; T606-T608 VanDerWaalsContact C-N 3.26Å; T606-T608 PolarHBondContact O-N 3.47Å; T606-T608 PolarHBondContact OG1-OG1 2.85Å; T606-G609 CarbonylContact O-C 3.58Å; T606-G609 WeakPolarHBondContact O-CA 3.48Å; T606-G609 PolarHBondContact O-N 2.85Å; T606-K610 PolarHBondContact O-N 3.04Å |
| 607 | D | 81.6 | Confident | 88.9 | Confident | 124 Ų | 124 | 53.3 Ų | 53.3 | 66% | 0.663 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -37.8 | -179.4 | -71.3 | -40.7 | 0 | 0 | 0 | 113.2 | G609 K610 | D607-G609 VanDerWaalsContact C-N 3.29Å; D607-G609 PolarHBondContact O-N 3.48Å; D607-K610 WeakPolarHBondContact O-CG 3.3Å; D607-K610 WeakPolarHBondContact OD1-CE 3.41Å; D607-K610 IonicContact OD1-NZ 2.84Å; D607-K610 PolarHBondContact OD1-NZ 2.99Å |
| 608 | T | 82.5 | Confident | 88.9 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -31.3 | 176.7 | 53 | 0 | 0 | 0 | 0 | 112.3 | Q557 T606 H611 | Q557-T608 PolarHBondContact NE2-OG1 2.81Å; Q557-T608 VanDerWaalsContact NE2-OG1 3.1Å; T606-T608 VanDerWaalsContact C-N 3.26Å; T606-T608 PolarHBondContact O-N 3.47Å; T606-T608 PolarHBondContact OG1-OG1 2.85Å; T608-H611 PolarHBondContact O-CE1 3.44Å; T608-H611 VanDerWaalsContact O-CE1 3.25Å; T608-H611 PolarHBondContact O-ND1 3.14Å |
| 609 | G | 81 | Confident | 88.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q557 G603 G604 T606 D607 H611 I612 | Q557-G609 VanDerWaalsContact NE2-CA 3.33Å; G603-G609 VanDerWaalsContact O-CA 3.32Å; G603-G609 WeakPolarHBondContact O-CA 3.49Å; G604-G609 WeakPolarHBondContact CA-O 2.9Å; T606-G609 CarbonylContact O-C 3.58Å; T606-G609 WeakPolarHBondContact O-CA 3.48Å; T606-G609 PolarHBondContact O-N 2.85Å; D607-G609 VanDerWaalsContact C-N 3.29Å; D607-G609 PolarHBondContact O-N 3.48Å; G609-H611 PolarHBondContact O-N 3.4Å; G609-I612 WeakPolarHBondContact O-CB 3.34Å; G609-I612 PolarHBondContact O-N 2.93Å |
| 610 | K | 82.9 | Confident | 88.6 | Confident | 132 Ų | 132 | 58.1 Ų | 58.1 | 57% | 0.574 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -21.3 | -177.7 | -78.7 | 177 | 177.1 | 164.7 | 0 | 115.5 | T606 D607 I612 | T606-K610 PolarHBondContact O-N 3.04Å; D607-K610 WeakPolarHBondContact O-CG 3.3Å; D607-K610 WeakPolarHBondContact OD1-CE 3.41Å; D607-K610 IonicContact OD1-NZ 2.84Å; D607-K610 PolarHBondContact OD1-NZ 2.99Å; K610-I612 VanDerWaalsContact C-N 3.27Å |
| 611 | H | 87.3 | Confident | 88.4 | Confident | 90 Ų | 90 | 63.2 Ų | 63.2 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -19.1 | 176.3 | 65.3 | -85.3 | 0 | 0 | 0 | 113.2 | T608 G609 | T608-H611 PolarHBondContact O-CE1 3.44Å; T608-H611 VanDerWaalsContact O-CE1 3.25Å; T608-H611 PolarHBondContact O-ND1 3.14Å; G609-H611 PolarHBondContact O-N 3.4Å |
| 612 | I | 89.3 | Confident | 88.3 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | trans | -89.6 | 109.8 | 176.3 | -59 | -176.4 | 0 | 0 | 0 | 108.3 | Q557 A560 V600 G609 K610 Y617 | Q557-I612 HydrophobicContact CB-CD1 3.97Å; Q557-I612 HydrophobicContact CG-CD1 3.78Å; A560-I612 HydrophobicContact CB-CD1 4.14Å; A560-I612 HydrophobicContact CB-CG2 4.39Å; V600-I612 HydrophobicContact CG1-CG2 3.81Å; G609-I612 WeakPolarHBondContact O-CB 3.34Å; G609-I612 PolarHBondContact O-N 2.93Å; K610-I612 VanDerWaalsContact C-N 3.27Å; I612-Y617 HydrophobicContact CG2-CE2 3.89Å | ||
| 613 | K | 89.1 | Confident | 88.3 | Confident | 127 Ų | 127 | 66.5 Ų | 66.5 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | trans | -112 | 135.9 | 175.8 | -59.7 | 175.4 | -176.8 | 172.8 | 0 | 110 | N615 D616 Y617 | K613-N615 VanDerWaalsContact C-N 3.25Å; K613-N615 PolarHBondContact O-N 2.86Å; K613-D616 WeakPolarHBondContact O-CB 3.22Å; K613-D616 PolarHBondContact O-N 3.18Å; K613-D616 VanDerWaalsContact O-N 3.1Å; K613-Y617 VanDerWaalsContact O-CD2 3.31Å; K613-Y617 WeakPolarHBondContact O-CD2 3.28Å; K613-Y617 WeakPolarHBondContact O-CE2 3.39Å | ||
| 614 | E | 90.5 | Very high | 88.3 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 24% | 0.238 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -57.1 | -39.9 | 179.3 | -173.9 | 173.2 | 172.7 | 0 | 0 | 112.4 | L597 V600 R601 D616 Y617 Y618 | L597-E614 HydrophobicContact CD2-CG 4.11Å; V600-E614 HydrophobicContact CG1-CB 4.26Å; R601-E614 WeakPolarHBondContact CG-OE2 3.31Å; R601-E614 IonicContact CZ-OE1 3.64Å; R601-E614 IonicContact CZ-OE2 3.32Å; R601-E614 VanDerWaalsContact NE-CD 3.25Å; R601-E614 IonicContact NE-OE1 2.62Å; R601-E614 PolarHBondContact NE-OE1 3.17Å; R601-E614 IonicContact NE-OE2 3.71Å; R601-E614 PolarHBondContact NE-OE2 3.28Å; R601-E614 IonicContact NH2-OE1 2.72Å; R601-E614 PolarHBondContact NH2-OE1 3.41Å; R601-E614 IonicContact NH2-OE2 3.2Å; E614-D616 PolarHBondContact O-N 3.47Å; E614-D616 VanDerWaalsContact O-N 3.16Å; E614-Y617 PolarHBondContact O-N 3.29Å; E614-Y617 VanDerWaalsContact O-N 3.14Å; E614-Y618 HydrophobicContact CG-CE2 3.86Å; E614-Y618 PolarHBondContact OE1-OH 2.9Å |
| 615 | N | 91.4 | Very high | 88.5 | Confident | 125 Ų | 125 | 71.6 Ų | 71.6 | 67% | 0.668 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -60.6 | -25.3 | 179.2 | -68.4 | -9.2 | 0 | 0 | 0 | 113.9 | K613 Y617 Y618 | K613-N615 VanDerWaalsContact C-N 3.25Å; K613-N615 PolarHBondContact O-N 2.86Å; N615-Y617 PolarHBondContact O-N 3.28Å; N615-Y618 PolarHBondContact O-N 3.33Å |
| 616 | D | 92.5 | Very high | 88.7 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -72.1 | -19 | -178.1 | -61.6 | -15.6 | 0 | 0 | 0 | 111.6 | K613 E614 S631 V633 | K613-D616 WeakPolarHBondContact O-CB 3.22Å; K613-D616 PolarHBondContact O-N 3.18Å; K613-D616 VanDerWaalsContact O-N 3.1Å; E614-D616 PolarHBondContact O-N 3.47Å; E614-D616 VanDerWaalsContact O-N 3.16Å; D616-S631 WeakPolarHBondContact O-CB 3.22Å; D616-S631 PolarHBondContact O-OG 2.71Å; D616-V633 HydrophobicContact CB-CG1 4.45Å; D616-V633 HydrophobicContact CB-CG2 4.38Å; D616-V633 WeakPolarHBondContact O-CB 3.3Å |
| 617 | Y | 93 | Very high | 89 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -92.7 | -6.9 | 178.4 | -60.4 | -86 | 0 | 0 | 0 | 113.4 | A560 F596 V600 I612 K613 E614 N615 V633 L634 C637 | A560-Y617 PolarHBondContact O-OH 3.14Å; F596-Y617 AromaticContact CE1-CD1 3.54Å; F596-Y617 HydrophobicContact CE1-CD1 3.54Å; F596-Y617 AromaticContact CE1-CE1 3.83Å; F596-Y617 HydrophobicContact CE1-CE1 3.83Å; F596-Y617 HydrophobicContact CE1-CG 4.09Å; F596-Y617 AromaticContact CZ-CD1 3.9Å; F596-Y617 HydrophobicContact CZ-CD1 3.9Å; F596-Y617 AromaticContact CZ-CE1 3.68Å; F596-Y617 HydrophobicContact CZ-CE1 3.68Å; V600-Y617 HydrophobicContact CB-CD2 4.45Å; V600-Y617 HydrophobicContact CB-CE2 4.33Å; V600-Y617 HydrophobicContact CG1-CD2 3.62Å; V600-Y617 HydrophobicContact CG1-CE2 3.5Å; V600-Y617 HydrophobicContact CG2-CD2 3.93Å; V600-Y617 HydrophobicContact CG2-CE1 4.38Å; V600-Y617 HydrophobicContact CG2-CE2 3.79Å; V600-Y617 HydrophobicContact CG2-CG 4.3Å; I612-Y617 HydrophobicContact CG2-CE2 3.89Å; K613-Y617 VanDerWaalsContact O-CD2 3.31Å; K613-Y617 WeakPolarHBondContact O-CD2 3.28Å; K613-Y617 WeakPolarHBondContact O-CE2 3.39Å; E614-Y617 PolarHBondContact O-N 3.29Å; E614-Y617 VanDerWaalsContact O-N 3.14Å; N615-Y617 PolarHBondContact O-N 3.28Å; Y617-V633 HydrophobicContact CD1-CG1 4.29Å; Y617-V633 HydrophobicContact CE1-CG1 3.89Å; Y617-L634 HydrophobicContact CD1-CB 4.16Å; Y617-L634 HydrophobicContact CD1-CD1 4.23Å; Y617-C637 HydrophobicContact CE1-CB 4.38Å |
| 618 | Y | 92.7 | Very high | 89.4 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -89.6 | 154.1 | 174.4 | -63.4 | -43.2 | 0 | 0 | 0 | 111.4 | L597 E614 N615 E623 F624 | L597-Y618 HydrophobicContact CD1-CE1 4.4Å; L597-Y618 HydrophobicContact CD2-CE1 3.71Å; L597-Y618 WeakPolarHBondContact CD2-OH 3.49Å; E614-Y618 HydrophobicContact CG-CE2 3.86Å; E614-Y618 PolarHBondContact OE1-OH 2.9Å; N615-Y618 PolarHBondContact O-N 3.33Å; Y618-E623 WeakPolarHBondContact CA-O 3.2Å; Y618-F624 HydrophobicContact CD1-CB 3.98Å; Y618-F624 HydrophobicContact CD1-CD2 4.42Å; Y618-F624 HydrophobicContact CE1-CB 3.92Å; Y618-F624 HydrophobicContact CE1-CD2 4.41Å |
| 619 | T | 90.8 | Very high | 89.8 | Confident | 9 Ų | 9 | 73.2 Ų | 73.2 | 6% | 0.055 | 37% | 0.366 | C | S | . | . | trans | -61.9 | 163.3 | 165.1 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | T621 G622 E623 R625 E629 | T619-T621 PolarHBondContact O-N 3.48Å; T619-T621 PolarHBondContact OG1-N 2.96Å; T619-T621 PolarHBondContact OG1-OG1 3.35Å; T619-G622 PolarHBondContact O-N 2.9Å; T619-G622 PolarHBondContact OG1-N 3.22Å; T619-E623 WeakPolarHBondContact CG2-O 3.39Å; T619-E623 PolarHBondContact N-O 2.9Å; T619-E623 PolarHBondContact OG1-N 3.4Å; T619-E623 PolarHBondContact OG1-O 3.27Å; T619-R625 HydrophobicContact CG2-CB 4.17Å; T619-R625 HydrophobicContact CG2-CG 4.27Å; T619-E629 WeakPolarHBondContact CG2-O 3.47Å | ||
| 620 | P | 88 | Confident | 90.2 | Very high | 142 Ų | 142 | 73.5 Ų | 73.5 | 92% | 0.922 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -19.9 | 171.9 | -26.2 | 35.6 | 0 | 0 | 0 | 114.3 | ||
| 621 | T | 89.2 | Confident | 90.7 | Very high | 109 Ų | 109 | 67.7 Ų | 67.7 | 67% | 0.669 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -8.3 | 174 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | T619 | T619-T621 PolarHBondContact O-N 3.48Å; T619-T621 PolarHBondContact OG1-N 2.96Å; T619-T621 PolarHBondContact OG1-OG1 3.35Å |
| 622 | G | 89.4 | Confident | 90.9 | Very high | 50 Ų | 50 | 67.6 Ų | 67.6 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 88.2 | 17 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T619 | T619-G622 PolarHBondContact O-N 2.9Å; T619-G622 PolarHBondContact OG1-N 3.22Å |
| 623 | E | 90.8 | Very high | 91.1 | Very high | 100 Ų | 100 | 70.2 Ų | 70.2 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | trans | -99 | 146.2 | -179.1 | -62 | 176.3 | 166.3 | 0 | 0 | 111.2 | Y618 T619 R625 | Y618-E623 WeakPolarHBondContact CA-O 3.2Å; T619-E623 WeakPolarHBondContact CG2-O 3.39Å; T619-E623 PolarHBondContact N-O 2.9Å; T619-E623 PolarHBondContact OG1-N 3.4Å; T619-E623 PolarHBondContact OG1-O 3.27Å; E623-R625 HydrophobicContact CB-CG 4.11Å; E623-R625 WeakPolarHBondContact OE2-CD 3.34Å; E623-R625 IonicContact OE2-NH1 3.87Å | ||
| 624 | F | 92.2 | Very high | 91.3 | Very high | 56 Ų | 56 | 64.2 Ų | 64.2 | 25% | 0.246 | 34% | 0.342 | C | S | . | . | trans | -92.2 | 106.5 | 170.7 | -175 | -106.5 | 0 | 0 | 0 | 109.5 | I593 F596 L597 Y618 L634 | I593-F624 HydrophobicContact CG2-CE1 4.33Å; F596-F624 AromaticContact CD1-CE2 4Å; F596-F624 HydrophobicContact CD1-CE2 4Å; F596-F624 HydrophobicContact CD1-CZ 4.02Å; L597-F624 HydrophobicContact CD1-CB 4.49Å; L597-F624 HydrophobicContact CD1-CD2 4.35Å; L597-F624 HydrophobicContact CD1-CG 4.21Å; L597-F624 HydrophobicContact CD2-CD2 4.34Å; L597-F624 HydrophobicContact CG-CD2 4.36Å; L597-F624 HydrophobicContact CG-CE2 4.44Å; Y618-F624 HydrophobicContact CD1-CB 3.98Å; Y618-F624 HydrophobicContact CD1-CD2 4.42Å; Y618-F624 HydrophobicContact CE1-CB 3.92Å; Y618-F624 HydrophobicContact CE1-CD2 4.41Å; F624-L634 HydrophobicContact CD2-CD2 4.12Å; F624-L634 HydrophobicContact CE2-CD1 3.87Å; F624-L634 HydrophobicContact CE2-CD2 3.57Å; F624-L634 HydrophobicContact CE2-CG 4.37Å; F624-L634 HydrophobicContact CZ-CD1 4.11Å; F624-L634 HydrophobicContact CZ-CD2 3.97Å | ||
| 625 | R | 91.7 | Very high | 91.4 | Very high | 73 Ų | 73 | 62.9 Ų | 62.9 | 28% | 0.275 | 34% | 0.337 | S | S | . | . | trans | -128.7 | 141 | -176.2 | -64.6 | -178 | 69.7 | 171.3 | -11.2 | 111.4 | T619 E623 D627 E629 G630 L634 | T619-R625 HydrophobicContact CG2-CB 4.17Å; T619-R625 HydrophobicContact CG2-CG 4.27Å; E623-R625 HydrophobicContact CB-CG 4.11Å; E623-R625 WeakPolarHBondContact OE2-CD 3.34Å; E623-R625 IonicContact OE2-NH1 3.87Å; R625-D627 IonicContact CZ-OD1 3.96Å; R625-D627 IonicContact CZ-OD2 2.9Å; R625-D627 IonicContact NE-OD1 2.69Å; R625-D627 PolarHBondContact NE-OD1 3.19Å; R625-D627 IonicContact NE-OD2 3.79Å; R625-D627 PolarHBondContact NE-OD2 3.39Å; R625-D627 IonicContact NH2-OD1 3.21Å; R625-D627 IonicContact NH2-OD2 2.66Å; R625-D627 PolarHBondContact NH2-OD2 3.44Å; R625-E629 IonicContact CZ-OE2 2.87Å; R625-E629 IonicContact NE-OE2 3.44Å; R625-E629 IonicContact NH1-OE2 2.63Å; R625-E629 PolarHBondContact NH1-OE2 3Å; R625-E629 IonicContact NH2-OE2 3.45Å; R625-E629 PolarHBondContact NH2-OE2 3.17Å; R625-G630 VanDerWaalsContact O-CA 3.22Å; R625-G630 WeakPolarHBondContact O-CA 3.4Å; R625-L634 VanDerWaalsContact O-CD2 3.26Å; R625-L634 WeakPolarHBondContact O-CD2 3.44Å | ||
| 626 | V | 91.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | trans | -102.1 | -2.7 | 178.8 | -64.5 | 0 | 0 | 0 | 0 | 113 | I593 Y640 Y644 R664 A666 G669 | I593-V626 HydrophobicContact CG2-CG1 4.18Å; V626-Y640 HydrophobicContact CB-CE2 4.23Å; V626-Y644 HydrophobicContact CB-CE2 4.34Å; V626-Y644 HydrophobicContact CG1-CE2 4.33Å; V626-R664 HydrophobicContact CG1-CG 4.46Å; V626-R664 HydrophobicContact CG2-CB 3.82Å; V626-R664 HydrophobicContact CG2-CG 4.01Å; V626-A666 HydrophobicContact CG2-CB 4.19Å; V626-G669 PolarHBondContact O-N 2.87Å | ||
| 627 | D | 91.3 | Very high | 91.4 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -81.9 | -170.7 | 177.8 | 59.1 | 25.2 | 0 | 0 | 0 | 111.7 | R625 E629 G630 A666 E667 | R625-D627 IonicContact CZ-OD1 3.96Å; R625-D627 IonicContact CZ-OD2 2.9Å; R625-D627 IonicContact NE-OD1 2.69Å; R625-D627 PolarHBondContact NE-OD1 3.19Å; R625-D627 IonicContact NE-OD2 3.79Å; R625-D627 PolarHBondContact NE-OD2 3.39Å; R625-D627 IonicContact NH2-OD1 3.21Å; R625-D627 IonicContact NH2-OD2 2.66Å; R625-D627 PolarHBondContact NH2-OD2 3.44Å; D627-E629 PolarHBondContact O-N 3.24Å; D627-E629 VanDerWaalsContact O-N 3.15Å; D627-E629 WeakPolarHBondContact OD1-CB 3.49Å; D627-E629 PolarHBondContact OD1-N 2.61Å; D627-G630 PolarHBondContact O-N 2.63Å; D627-G630 PolarHBondContact OD1-N 2.95Å; D627-A666 HydrophobicContact CB-CB 4.35Å; D627-E667 VanDerWaalsContact CA-O 3.26Å; D627-E667 WeakPolarHBondContact CA-O 3.21Å; D627-E667 VanDerWaalsContact CB-O 3.25Å; D627-E667 WeakPolarHBondContact CB-O 3.28Å |
| 628 | R | 89.8 | Confident | 91.5 | Very high | 182 Ų | 182 | 57 Ų | 57 | 69% | 0.687 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20 | -179.6 | -66.1 | -176.5 | 179.7 | 169.8 | 2.4 | 113.6 | G630 G669 | R628-G630 VanDerWaalsContact C-N 3.33Å; R628-G669 VanDerWaalsContact N-CA 3.28Å |
| 629 | E | 90.7 | Very high | 91.6 | Very high | 124 Ų | 124 | 54.6 Ų | 54.6 | 58% | 0.579 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -7 | 177.6 | -62.6 | 177.5 | -171 | 0 | 0 | 112 | T619 R625 D627 | T619-E629 WeakPolarHBondContact CG2-O 3.47Å; R625-E629 IonicContact CZ-OE2 2.87Å; R625-E629 IonicContact NE-OE2 3.44Å; R625-E629 IonicContact NH1-OE2 2.63Å; R625-E629 PolarHBondContact NH1-OE2 3Å; R625-E629 IonicContact NH2-OE2 3.45Å; R625-E629 PolarHBondContact NH2-OE2 3.17Å; D627-E629 PolarHBondContact O-N 3.24Å; D627-E629 VanDerWaalsContact O-N 3.15Å; D627-E629 WeakPolarHBondContact OD1-CB 3.49Å; D627-E629 PolarHBondContact OD1-N 2.61Å |
| 630 | G | 89.9 | Confident | 91.8 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 6% | 0.062 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -56.9 | 154.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R625 D627 R628 L635 | R625-G630 VanDerWaalsContact O-CA 3.22Å; R625-G630 WeakPolarHBondContact O-CA 3.4Å; D627-G630 PolarHBondContact O-N 2.63Å; D627-G630 PolarHBondContact OD1-N 2.95Å; R628-G630 VanDerWaalsContact C-N 3.33Å; G630-L635 WeakPolarHBondContact O-CD1 3.35Å |
| 631 | S | 93 | Very high | 92.2 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | trans | -57.9 | 136.2 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | D616 V633 L634 L635 | D616-S631 WeakPolarHBondContact O-CB 3.22Å; D616-S631 PolarHBondContact O-OG 2.71Å; S631-V633 PolarHBondContact O-N 3.04Å; S631-V633 VanDerWaalsContact O-N 3.14Å; S631-V633 PolarHBondContact OG-N 3.4Å; S631-L634 WeakPolarHBondContact O-CB 3.42Å; S631-L634 PolarHBondContact O-N 2.93Å; S631-L635 PolarHBondContact O-N 2.88Å | ||
| 632 | P | 91.9 | Very high | 92.4 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 57% | 0.571 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.4 | -23.3 | 174 | 25.8 | -34.7 | 0 | 0 | 0 | 112.4 | N636 | P632-N636 WeakPolarHBondContact O-CB 3.28Å; P632-N636 PolarHBondContact O-N 3.05Å; P632-N636 PolarHBondContact O-ND2 3.37Å |
| 633 | V | 92.8 | Very high | 92.7 | Very high | 65 Ų | 65 | 41.1 Ų | 41.1 | 39% | 0.394 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70 | -41.6 | 174.2 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | D616 Y617 S631 C637 | D616-V633 HydrophobicContact CB-CG1 4.45Å; D616-V633 HydrophobicContact CB-CG2 4.38Å; D616-V633 WeakPolarHBondContact O-CB 3.3Å; Y617-V633 HydrophobicContact CD1-CG1 4.29Å; Y617-V633 HydrophobicContact CE1-CG1 3.89Å; S631-V633 PolarHBondContact O-N 3.04Å; S631-V633 VanDerWaalsContact O-N 3.14Å; S631-V633 PolarHBondContact OG-N 3.4Å; V633-C637 PolarHBondContact O-N 3.13Å; V633-C637 VanDerWaalsContact O-N 3.13Å |
| 634 | L | 93.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.7 | -46.6 | 175.6 | 177.4 | 64.9 | 0 | 0 | 0 | 111.4 | F596 Y617 F624 R625 S631 N636 C637 Y640 | F596-L634 HydrophobicContact CD1-CD1 3.97Å; F596-L634 HydrophobicContact CE1-CD1 3.57Å; F596-L634 HydrophobicContact CZ-CD1 4.24Å; Y617-L634 HydrophobicContact CD1-CB 4.16Å; Y617-L634 HydrophobicContact CD1-CD1 4.23Å; F624-L634 HydrophobicContact CD2-CD2 4.12Å; F624-L634 HydrophobicContact CE2-CD1 3.87Å; F624-L634 HydrophobicContact CE2-CD2 3.57Å; F624-L634 HydrophobicContact CE2-CG 4.37Å; F624-L634 HydrophobicContact CZ-CD1 4.11Å; F624-L634 HydrophobicContact CZ-CD2 3.97Å; R625-L634 VanDerWaalsContact O-CD2 3.26Å; R625-L634 WeakPolarHBondContact O-CD2 3.44Å; S631-L634 WeakPolarHBondContact O-CB 3.42Å; S631-L634 PolarHBondContact O-N 2.93Å; L634-N636 PolarHBondContact O-N 3.22Å; L634-N636 VanDerWaalsContact O-N 3.15Å; L634-C637 PolarHBondContact O-N 3.17Å; L634-C637 VanDerWaalsContact O-N 3.09Å; L634-C637 PolarHBondContact O-SG 3.03Å; L634-Y640 HydrophobicContact CG-CD2 4.45Å; L634-Y640 WeakPolarHBondContact O-CB 3.46Å |
| 635 | L | 92.3 | Very high | 93 | Very high | 24 Ų | 24 | 35 Ų | 35 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -22.8 | -179.2 | -70.5 | 160.9 | 0 | 0 | 0 | 113.2 | G630 S631 Y640 N670 | G630-L635 WeakPolarHBondContact O-CD1 3.35Å; S631-L635 PolarHBondContact O-N 2.88Å; L635-Y640 HydrophobicContact CD2-CE1 4.11Å; L635-Y640 HydrophobicContact CD2-CE2 3.9Å; L635-Y640 WeakPolarHBondContact O-CD1 3.43Å; L635-N670 HydrophobicContact CD2-CB 4.2Å |
| 636 | N | 92.5 | Very high | 93 | Very high | 78 Ų | 78 | 37.5 Ų | 37.5 | 42% | 0.417 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 0.8 | 177.8 | -70.3 | -50 | 0 | 0 | 0 | 114 | P632 L634 | P632-N636 WeakPolarHBondContact O-CB 3.28Å; P632-N636 PolarHBondContact O-N 3.05Å; P632-N636 PolarHBondContact O-ND2 3.37Å; L634-N636 PolarHBondContact O-N 3.22Å; L634-N636 VanDerWaalsContact O-N 3.15Å |
| 637 | C | 93.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -73.3 | 151.9 | 178.9 | 83.1 | 0 | 0 | 0 | 0 | 111.2 | F596 Y617 V633 L634 M639 Y640 K641 | F596-C637 HydrophobicContact CZ-CB 4.37Å; Y617-C637 HydrophobicContact CE1-CB 4.38Å; V633-C637 PolarHBondContact O-N 3.13Å; V633-C637 VanDerWaalsContact O-N 3.13Å; L634-C637 PolarHBondContact O-N 3.17Å; L634-C637 VanDerWaalsContact O-N 3.09Å; L634-C637 PolarHBondContact O-SG 3.03Å; C637-M639 VanDerWaalsContact C-N 3.33Å; C637-M639 PolarHBondContact O-N 3.48Å; C637-Y640 PolarHBondContact O-N 2.86Å; C637-Y640 VanDerWaalsContact SG-CB 3.5Å; C637-Y640 PolarHBondContact SG-N 2.96Å; C637-K641 PolarHBondContact O-N 2.83Å |
| 638 | L | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | -177.7 | -172.5 | 73.4 | 0 | 0 | 0 | 111.4 | S561 E563 A566 M570 Y640 K641 M642 L678 | S561-L638 PolarHBondContact O-N 3.18Å; E563-L638 HydrophobicContact CB-CD1 4.34Å; E563-L638 HydrophobicContact CG-CD1 4.12Å; A566-L638 HydrophobicContact CB-CB 4.2Å; A566-L638 HydrophobicContact CB-CD2 3.6Å; A566-L638 HydrophobicContact CB-CG 4.3Å; M570-L638 HydrophobicContact CE-CD2 4.2Å; M570-L638 HydrophobicContact SD-CD2 4.47Å; L638-Y640 PolarHBondContact O-N 2.97Å; L638-K641 PolarHBondContact O-N 3.15Å; L638-M642 HydrophobicContact CD1-CG 4.37Å; L638-M642 HydrophobicContact CD2-CE 3.85Å; L638-M642 HydrophobicContact CD2-SD 4.14Å; L638-M642 HydrophobicContact CG-CE 3.8Å; L638-M642 HydrophobicContact CG-CG 4.16Å; L638-M642 HydrophobicContact CG-SD 4.05Å; L638-M642 WeakPolarHBondContact O-CB 3.39Å; L638-M642 VanDerWaalsContact O-CG 3.3Å; L638-M642 WeakPolarHBondContact O-CG 3.45Å; L638-M642 PolarHBondContact O-N 2.67Å; L638-L678 HydrophobicContact CD1-CD1 3.82Å; L638-L678 HydrophobicContact CD2-CD1 4.48Å; L638-L678 HydrophobicContact CG-CD1 4.47Å |
| 639 | M | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 179.3 | -176.5 | 60 | 71.5 | 0 | 0 | 112.5 | M559 V580 D592 I593 F596 M599 C637 K641 M642 C643 | M559-M639 HydrophobicContact CB-CE 3.92Å; M559-M639 HydrophobicContact CE-CE 4.4Å; M559-M639 HydrophobicContact CG-CE 3.84Å; M559-M639 WeakPolarHBondContact O-CB 3.44Å; M559-M639 PolarHBondContact O-N 2.87Å; M559-M639 HydrophobicContact SD-CE 3.59Å; M559-M639 VanDerWaalsContact SD-CE 3.59Å; V580-M639 HydrophobicContact CB-SD 4.34Å; V580-M639 HydrophobicContact CG1-CE 4.16Å; V580-M639 HydrophobicContact CG1-SD 3.88Å; D592-M639 HydrophobicContact CB-CE 4.05Å; D592-M639 HydrophobicContact CB-SD 3.85Å; I593-M639 HydrophobicContact CD1-CG 3.95Å; F596-M639 HydrophobicContact CD2-CB 3.78Å; F596-M639 HydrophobicContact CD2-CG 3.77Å; F596-M639 HydrophobicContact CE2-CB 3.67Å; F596-M639 HydrophobicContact CE2-CG 4.21Å; M599-M639 HydrophobicContact CE-CE 3.93Å; M599-M639 HydrophobicContact SD-CE 3.65Å; C637-M639 VanDerWaalsContact C-N 3.33Å; C637-M639 PolarHBondContact O-N 3.48Å; M639-K641 PolarHBondContact O-N 3.06Å; M639-M642 PolarHBondContact O-N 2.8Å; M639-M642 HydrophobicContact SD-CE 4.47Å; M639-C643 WeakPolarHBondContact O-CB 3.44Å; M639-C643 PolarHBondContact O-N 3.42Å; M639-C643 PolarHBondContact O-SG 3.16Å; M639-C643 VanDerWaalsContact SD-SG 3.65Å |
| 640 | Y | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 177.2 | -179.7 | -79.8 | 0 | 0 | 0 | 110.4 | V626 L634 L635 C637 L638 M642 C643 Y644 G669 N670 F673 | V626-Y640 HydrophobicContact CB-CE2 4.23Å; L634-Y640 HydrophobicContact CG-CD2 4.45Å; L634-Y640 WeakPolarHBondContact O-CB 3.46Å; L635-Y640 HydrophobicContact CD2-CE1 4.11Å; L635-Y640 HydrophobicContact CD2-CE2 3.9Å; L635-Y640 WeakPolarHBondContact O-CD1 3.43Å; C637-Y640 PolarHBondContact O-N 2.86Å; C637-Y640 VanDerWaalsContact SG-CB 3.5Å; C637-Y640 PolarHBondContact SG-N 2.96Å; L638-Y640 PolarHBondContact O-N 2.97Å; Y640-M642 PolarHBondContact O-N 2.87Å; Y640-C643 PolarHBondContact O-N 2.69Å; Y640-Y644 HydrophobicContact CD1-CD2 4.1Å; Y640-Y644 AromaticContact CD2-CD2 3.53Å; Y640-Y644 HydrophobicContact CD2-CD2 3.53Å; Y640-Y644 AromaticContact CD2-CE2 3.62Å; Y640-Y644 HydrophobicContact CD2-CE2 3.62Å; Y640-Y644 AromaticContact CE1-CD2 3.95Å; Y640-Y644 HydrophobicContact CE1-CD2 3.95Å; Y640-Y644 AromaticContact CE2-CD2 3.39Å; Y640-Y644 HydrophobicContact CE2-CD2 3.39Å; Y640-Y644 AromaticContact CE2-CE2 3.44Å; Y640-Y644 HydrophobicContact CE2-CE2 3.44Å; Y640-Y644 VanDerWaalsContact CE2-CE2 3.44Å; Y640-Y644 HydrophobicContact CE2-CG 4.48Å; Y640-Y644 AromaticContact CG-CD2 3.87Å; Y640-Y644 HydrophobicContact CG-CD2 3.87Å; Y640-Y644 HydrophobicContact CG-CE2 4.38Å; Y640-Y644 AromaticContact CZ-CD2 3.59Å; Y640-Y644 WeakPolarHBondContact O-CB 3.1Å; Y640-Y644 WeakPolarHBondContact O-CD2 3.49Å; Y640-Y644 PolarHBondContact O-N 3.17Å; Y640-G669 PolarHBondContact OH-N 3.48Å; Y640-N670 HydrophobicContact CE1-CB 4.13Å; Y640-N670 PolarHBondContact OH-N 2.86Å; Y640-F673 HydrophobicContact CE1-CE1 4.41Å |
| 641 | K | 94.9 | Very high | 92.8 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 12% | 0.122 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 178.7 | -72.8 | -166.5 | -178.5 | -167.7 | 0 | 112 | E563 C637 L638 M639 Y645 F673 L675 | E563-K641 IonicContact OE2-NZ 3.19Å; E563-K641 PolarHBondContact OE2-NZ 3.18Å; C637-K641 PolarHBondContact O-N 2.83Å; L638-K641 PolarHBondContact O-N 3.15Å; M639-K641 PolarHBondContact O-N 3.06Å; K641-Y645 WeakPolarHBondContact O-CB 3.24Å; K641-Y645 PolarHBondContact O-N 3.33Å; K641-F673 VanDerWaalsContact CA-CE2 3.44Å; K641-F673 HydrophobicContact CB-CD2 4.18Å; K641-F673 HydrophobicContact CB-CE2 3.58Å; K641-F673 HydrophobicContact CB-CZ 4.17Å; K641-F673 HydrophobicContact CD-CD2 4.23Å; K641-F673 HydrophobicContact CD-CE2 4.46Å; K641-F673 HydrophobicContact CG-CD2 3.99Å; K641-F673 HydrophobicContact CG-CE2 3.85Å; K641-F673 HydrophobicContact CG-CZ 4.44Å; K641-F673 WeakPolarHBondContact O-CE2 3.33Å; K641-F673 WeakPolarHBondContact O-CZ 3.45Å; K641-L675 HydrophobicContact CB-CD2 3.81Å; K641-L675 HydrophobicContact CD-CD2 4.16Å |
| 642 | M | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -52.6 | 178.1 | -69.9 | -170.9 | -63.3 | 0 | 0 | 111.2 | M559 V578 V580 L638 M639 Y640 Y644 L678 Y692 | M559-M642 HydrophobicContact SD-CE 3.54Å; M559-M642 VanDerWaalsContact SD-CE 3.54Å; V578-M642 HydrophobicContact CB-SD 4.21Å; V578-M642 HydrophobicContact CG1-CE 3.99Å; V578-M642 HydrophobicContact CG1-SD 3.68Å; V580-M642 HydrophobicContact CG1-CB 4.29Å; V580-M642 HydrophobicContact CG1-CE 3.51Å; V580-M642 HydrophobicContact CG1-SD 4.04Å; V580-M642 HydrophobicContact CG2-CB 4.16Å; L638-M642 HydrophobicContact CD1-CG 4.37Å; L638-M642 HydrophobicContact CD2-CE 3.85Å; L638-M642 HydrophobicContact CD2-SD 4.14Å; L638-M642 HydrophobicContact CG-CE 3.8Å; L638-M642 HydrophobicContact CG-CG 4.16Å; L638-M642 HydrophobicContact CG-SD 4.05Å; L638-M642 WeakPolarHBondContact O-CB 3.39Å; L638-M642 VanDerWaalsContact O-CG 3.3Å; L638-M642 WeakPolarHBondContact O-CG 3.45Å; L638-M642 PolarHBondContact O-N 2.67Å; M639-M642 PolarHBondContact O-N 2.8Å; M639-M642 HydrophobicContact SD-CE 4.47Å; Y640-M642 PolarHBondContact O-N 2.87Å; M642-Y644 PolarHBondContact O-N 2.76Å; M642-L678 HydrophobicContact CG-CD1 3.76Å; M642-L678 HydrophobicContact SD-CD1 3.56Å; M642-L678 VanDerWaalsContact SD-CD1 3.56Å; M642-Y692 HydrophobicContact CB-CD2 4.17Å; M642-Y692 HydrophobicContact CB-CE2 3.83Å; M642-Y692 HydrophobicContact CG-CD2 4.13Å; M642-Y692 HydrophobicContact CG-CE2 4.25Å; M642-Y692 PolarHBondContact O-OH 3.44Å; M642-Y692 HydrophobicContact SD-CD2 4.15Å |
| 643 | C | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | -177.2 | -70.9 | 0 | 0 | 0 | 0 | 113 | F582 I593 M639 Y640 R690 | F582-C643 HydrophobicContact CB-CB 4.41Å; F582-C643 HydrophobicContact CD2-CB 3.86Å; F582-C643 HydrophobicContact CG-CB 4.36Å; I593-C643 HydrophobicContact CD1-CB 4.01Å; I593-C643 HydrophobicContact CG1-CB 4.02Å; M639-C643 WeakPolarHBondContact O-CB 3.44Å; M639-C643 PolarHBondContact O-N 3.42Å; M639-C643 PolarHBondContact O-SG 3.16Å; M639-C643 VanDerWaalsContact SD-SG 3.65Å; Y640-C643 PolarHBondContact O-N 2.69Å; C643-R690 PolarHBondContact O-NH1 3.07Å |
| 644 | Y | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -97.1 | 7.1 | -173.5 | -66.6 | -62 | 0 | 0 | 0 | 115.3 | F582 I593 V626 Y640 M642 R646 F647 D661 R664 I668 | F582-Y644 AromaticContact CE2-CD1 3.75Å; F582-Y644 HydrophobicContact CE2-CD1 3.75Å; F582-Y644 AromaticContact CE2-CE1 3.51Å; F582-Y644 HydrophobicContact CE2-CE1 3.51Å; F582-Y644 AromaticContact CZ-CD1 3.95Å; F582-Y644 HydrophobicContact CZ-CD1 3.95Å; F582-Y644 AromaticContact CZ-CE1 3.92Å; F582-Y644 HydrophobicContact CZ-CE1 3.92Å; I593-Y644 HydrophobicContact CD1-CE2 4.43Å; V626-Y644 HydrophobicContact CB-CE2 4.34Å; V626-Y644 HydrophobicContact CG1-CE2 4.33Å; Y640-Y644 HydrophobicContact CD1-CD2 4.1Å; Y640-Y644 AromaticContact CD2-CD2 3.53Å; Y640-Y644 HydrophobicContact CD2-CD2 3.53Å; Y640-Y644 AromaticContact CD2-CE2 3.62Å; Y640-Y644 HydrophobicContact CD2-CE2 3.62Å; Y640-Y644 AromaticContact CE1-CD2 3.95Å; Y640-Y644 HydrophobicContact CE1-CD2 3.95Å; Y640-Y644 AromaticContact CE2-CD2 3.39Å; Y640-Y644 HydrophobicContact CE2-CD2 3.39Å; Y640-Y644 AromaticContact CE2-CE2 3.44Å; Y640-Y644 HydrophobicContact CE2-CE2 3.44Å; Y640-Y644 VanDerWaalsContact CE2-CE2 3.44Å; Y640-Y644 HydrophobicContact CE2-CG 4.48Å; Y640-Y644 AromaticContact CG-CD2 3.87Å; Y640-Y644 HydrophobicContact CG-CD2 3.87Å; Y640-Y644 HydrophobicContact CG-CE2 4.38Å; Y640-Y644 AromaticContact CZ-CD2 3.59Å; Y640-Y644 WeakPolarHBondContact O-CB 3.1Å; Y640-Y644 WeakPolarHBondContact O-CD2 3.49Å; Y640-Y644 PolarHBondContact O-N 3.17Å; M642-Y644 PolarHBondContact O-N 2.76Å; Y644-R646 PolarHBondContact O-N 2.79Å; Y644-F647 HydrophobicContact CD1-CB 4.28Å; Y644-F647 AromaticContact CD1-CD1 3.63Å; Y644-F647 HydrophobicContact CD1-CD1 3.63Å; Y644-F647 HydrophobicContact CD1-CE1 4.27Å; Y644-F647 HydrophobicContact CD1-CG 4.17Å; Y644-F647 HydrophobicContact CE1-CD1 4.04Å; Y644-F647 HydrophobicContact CE1-CE1 4.23Å; Y644-F647 VanDerWaalsContact O-CB 3.27Å; Y644-F647 WeakPolarHBondContact O-CB 3.35Å; Y644-F647 PolarHBondContact O-N 2.97Å; Y644-D661 WeakPolarHBondContact CE1-OD2 3.41Å; Y644-D661 VanDerWaalsContact CZ-OD2 3.3Å; Y644-D661 PolarHBondContact OH-OD2 2.91Å; Y644-R664 VanDerWaalsContact CZ-NH2 3.29Å; Y644-R664 VanDerWaalsContact OH-CZ 3.23Å; Y644-R664 PolarHBondContact OH-NE 3.45Å; Y644-R664 PolarHBondContact OH-NH2 3.09Å; Y644-I668 HydrophobicContact CD1-CG2 3.57Å; Y644-I668 HydrophobicContact CE1-CG2 3.42Å; Y644-I668 VanDerWaalsContact CE1-CG2 3.42Å; Y644-I668 HydrophobicContact CE2-CG2 4.48Å; Y644-I668 HydrophobicContact CG-CG2 4.13Å |
| 645 | Y | 94.7 | Very high | 90.6 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 123.7 | 179 | -176.6 | -117.5 | 0 | 0 | 0 | 111.2 | K641 F647 F673 L675 E680 R690 Y692 | K641-Y645 WeakPolarHBondContact O-CB 3.24Å; K641-Y645 PolarHBondContact O-N 3.33Å; Y645-F647 PolarHBondContact O-N 3.27Å; Y645-F673 HydrophobicContact CD2-CD2 4.45Å; Y645-F673 HydrophobicContact CD2-CE2 4.01Å; Y645-L675 HydrophobicContact CD1-CD1 4.25Å; Y645-L675 HydrophobicContact CD2-CD1 3.89Å; Y645-L675 HydrophobicContact CD2-CG 3.87Å; Y645-L675 HydrophobicContact CE2-CD1 4.26Å; Y645-L675 HydrophobicContact CE2-CG 4.1Å; Y645-L675 HydrophobicContact CG-CD1 3.88Å; Y645-L675 HydrophobicContact CG-CG 4.37Å; Y645-E680 HydrophobicContact CD1-CB 4.18Å; Y645-E680 HydrophobicContact CE1-CB 3.91Å; Y645-R690 VanDerWaalsContact O-CZ 3.32Å; Y645-R690 PolarHBondContact O-NH1 3.15Å; Y645-R690 PolarHBondContact O-NH2 2.64Å; Y645-Y692 HydrophobicContact CD1-CE1 4.19Å |
| 646 | R | 92.6 | Very high | 90.4 | Very high | 125 Ų | 125 | 53 Ų | 53 | 47% | 0.472 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 4.9 | -174.9 | -60.1 | 173.9 | 173.2 | 172.1 | -9.1 | 116.1 | Y644 G648 Q649 E680 | Y644-R646 PolarHBondContact O-N 2.79Å; R646-G648 VanDerWaalsContact C-N 3.26Å; R646-G648 PolarHBondContact O-N 3.02Å; R646-Q649 PolarHBondContact O-N 2.9Å; R646-E680 IonicContact CZ-OE2 2.76Å; R646-E680 IonicContact NH1-OE2 2.73Å; R646-E680 PolarHBondContact NH1-OE2 2.78Å |
| 647 | F | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -69.5 | -26.3 | 179.6 | -172.2 | -111.7 | 0 | 0 | 0 | 112.1 | F582 L585 Y644 Y645 Q649 V650 T652 G659 F660 D661 I668 W687 | F582-F647 AromaticContact CE1-CD2 3.64Å; F582-F647 HydrophobicContact CE1-CD2 3.64Å; F582-F647 AromaticContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CG 4.21Å; F582-F647 HydrophobicContact CE1-CZ 4.25Å; F582-F647 HydrophobicContact CZ-CD1 4.07Å; F582-F647 AromaticContact CZ-CD2 3.75Å; F582-F647 HydrophobicContact CZ-CD2 3.75Å; F582-F647 AromaticContact CZ-CE1 3.99Å; F582-F647 HydrophobicContact CZ-CE1 3.99Å; F582-F647 AromaticContact CZ-CE2 3.65Å; F582-F647 HydrophobicContact CZ-CE2 3.65Å; F582-F647 AromaticContact CZ-CG 3.95Å; F582-F647 HydrophobicContact CZ-CG 3.95Å; F582-F647 AromaticContact CZ-CZ 3.77Å; F582-F647 HydrophobicContact CZ-CZ 3.77Å; L585-F647 HydrophobicContact CB-CE2 4.34Å; Y644-F647 HydrophobicContact CD1-CB 4.28Å; Y644-F647 AromaticContact CD1-CD1 3.63Å; Y644-F647 HydrophobicContact CD1-CD1 3.63Å; Y644-F647 HydrophobicContact CD1-CE1 4.27Å; Y644-F647 HydrophobicContact CD1-CG 4.17Å; Y644-F647 HydrophobicContact CE1-CD1 4.04Å; Y644-F647 HydrophobicContact CE1-CE1 4.23Å; Y644-F647 VanDerWaalsContact O-CB 3.27Å; Y644-F647 WeakPolarHBondContact O-CB 3.35Å; Y644-F647 PolarHBondContact O-N 2.97Å; Y645-F647 PolarHBondContact O-N 3.27Å; F647-Q649 PolarHBondContact O-N 3.41Å; F647-V650 HydrophobicContact CD2-CB 4.42Å; F647-V650 PolarHBondContact O-N 3.46Å; F647-T652 HydrophobicContact CE2-CG2 3.75Å; F647-T652 HydrophobicContact CZ-CG2 3.52Å; F647-G659 VanDerWaalsContact O-CA 3.27Å; F647-G659 WeakPolarHBondContact O-CA 3.4Å; F647-F660 WeakPolarHBondContact CZ-O 3.27Å; F647-D661 HydrophobicContact CE1-CB 4.48Å; F647-I668 HydrophobicContact CB-CD1 4.47Å; F647-I668 HydrophobicContact CD1-CD1 4.12Å; F647-I668 HydrophobicContact CD1-CG2 3.97Å; F647-I668 HydrophobicContact CE1-CG2 4.23Å; F647-W687 HydrophobicContact CB-CZ3 4.27Å; F647-W687 HydrophobicContact CD2-CE3 4.06Å; F647-W687 AromaticContact CD2-CZ3 3.96Å; F647-W687 HydrophobicContact CD2-CZ3 3.96Å |
| 648 | G | 89.6 | Confident | 89.9 | Confident | 5 Ų | 5 | 53 Ų | 53 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -59 | -17.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R646 P658 | R646-G648 VanDerWaalsContact C-N 3.26Å; R646-G648 PolarHBondContact O-N 3.02Å; G648-P658 CarbonylContact O-C 3.47Å; G648-P658 WeakPolarHBondContact O-CB 3.16Å |
| 649 | Q | 88.6 | Confident | 89.7 | Confident | 130 Ų | 130 | 53 Ų | 53 | 61% | 0.607 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -98.9 | -10.2 | -179.4 | -60.1 | 172.4 | 7.5 | 0 | 0 | 112.7 | R646 F647 | R646-Q649 PolarHBondContact O-N 2.9Å; F647-Q649 PolarHBondContact O-N 3.41Å |
| 650 | V | 89.4 | Confident | 89.6 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | trans | -91 | 132.1 | -174.8 | -179.3 | 0 | 0 | 0 | 0 | 111 | L585 F647 P658 G659 W687 | L585-V650 HydrophobicContact CD1-CG1 4.27Å; F647-V650 HydrophobicContact CD2-CB 4.42Å; F647-V650 PolarHBondContact O-N 3.46Å; V650-P658 WeakPolarHBondContact O-CA 3.4Å; V650-G659 PolarHBondContact O-N 2.72Å; V650-W687 HydrophobicContact CG2-CH2 3.36Å; V650-W687 HydrophobicContact CG2-CZ2 3.92Å; V650-W687 HydrophobicContact CG2-CZ3 3.8Å | ||
| 651 | Y | 87.1 | Confident | 89.4 | Confident | 164 Ų | 164 | 53.4 Ų | 53.4 | 64% | 0.643 | 26% | 0.259 | S | S | * | . | trans | -88.2 | 109.3 | 170.6 | -70.3 | -89 | 0 | 0 | 0 | 109.9 | P658 | Y651-P658 HydrophobicContact CD1-CB 4.21Å; Y651-P658 HydrophobicContact CD2-CB 4.43Å; Y651-P658 HydrophobicContact CE1-CB 3.97Å; Y651-P658 HydrophobicContact CE1-CG 4.19Å; Y651-P658 HydrophobicContact CE2-CB 4.2Å; Y651-P658 HydrophobicContact CG-CB 4.44Å | ||
| 652 | T | 82.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -84.2 | -35.3 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | L585 F647 F660 R662 | L585-T652 HydrophobicContact CD1-CG2 3.66Å; F647-T652 HydrophobicContact CE2-CG2 3.75Å; F647-T652 HydrophobicContact CZ-CG2 3.52Å; T652-F660 WeakPolarHBondContact CB-O 3.27Å; T652-F660 WeakPolarHBondContact CG2-O 3.5Å; T652-F660 PolarHBondContact OG1-O 2.94Å; T652-R662 PolarHBondContact O-NH2 3.31Å |
| 653 | E | 81.1 | Confident | 89.1 | Confident | 72 Ų | 72 | 58.1 Ų | 58.1 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -134.4 | 139.4 | 177 | -67.9 | -178.9 | -175.3 | 0 | 0 | 110.4 | K655 R656 | E653-K655 PolarHBondContact O-N 3.47Å; E653-R656 HydrophobicContact CB-CB 4.02Å; E653-R656 HydrophobicContact CB-CG 3.78Å; E653-R656 HydrophobicContact CG-CG 4.4Å; E653-R656 PolarHBondContact O-N 2.82Å; E653-R656 WeakPolarHBondContact OE2-CG 3.25Å; E653-R656 IonicContact OE2-NE 3.08Å |
| 654 | A | 78.7 | Confident | 89 | Confident | 113 Ų | 113 | 60.2 Ų | 60.2 | 93% | 0.934 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -13.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 655 | K | 84 | Confident | 88.8 | Confident | 204 Ų | 204 | 65.7 Ų | 65.7 | 89% | 0.887 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -0.6 | -179.7 | -65.1 | -175.5 | 179.8 | 179.6 | 0 | 114.1 | E653 | E653-K655 PolarHBondContact O-N 3.47Š|
| 656 | R | 86.5 | Confident | 88.6 | Confident | 123 Ų | 123 | 65.1 Ų | 65.1 | 46% | 0.464 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -106.4 | 155 | -177.3 | -65.8 | -65.9 | -172.3 | 171.8 | 3.8 | 110.2 | E653 F660 | E653-R656 HydrophobicContact CB-CB 4.02Å; E653-R656 HydrophobicContact CB-CG 3.78Å; E653-R656 HydrophobicContact CG-CG 4.4Å; E653-R656 PolarHBondContact O-N 2.82Å; E653-R656 WeakPolarHBondContact OE2-CG 3.25Å; E653-R656 IonicContact OE2-NE 3.08Å; R656-F660 HydrophobicContact CB-CB 3.79Å; R656-F660 HydrophobicContact CB-CD1 4.02Å; R656-F660 HydrophobicContact CB-CD2 4.16Å; R656-F660 HydrophobicContact CB-CG 3.71Å; R656-F660 HydrophobicContact CG-CD1 3.8Å; R656-F660 HydrophobicContact CG-CD2 4.22Å; R656-F660 HydrophobicContact CG-CE1 4.01Å; R656-F660 HydrophobicContact CG-CE2 4.41Å; R656-F660 HydrophobicContact CG-CG 3.91Å; R656-F660 HydrophobicContact CG-CZ 4.32Å |
| 657 | P | 87.1 | Confident | 88.6 | Confident | 48 Ų | 48 | 62 Ų | 62 | 31% | 0.312 | 31% | 0.308 | S | S | . | . | trans | -60 | 157.7 | 172.9 | 26.4 | -34.5 | 0 | 0 | 0 | 110.9 | F660 E667 | P657-F660 WeakPolarHBondContact O-CB 3.44Å; P657-E667 HydrophobicContact CB-CG 4.5Å; P657-E667 HydrophobicContact CG-CB 4.2Å; P657-E667 HydrophobicContact CG-CG 4.04Å; P657-E667 WeakPolarHBondContact CG-OE2 3.36Å | ||
| 658 | P | 89.5 | Confident | 88.6 | Confident | 32 Ų | 32 | 62 Ų | 62 | 21% | 0.208 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 144.4 | 172.9 | 30.4 | -35.8 | 0 | 0 | 0 | 109.9 | G648 V650 Y651 K671 | G648-P658 CarbonylContact O-C 3.47Å; G648-P658 WeakPolarHBondContact O-CB 3.16Å; V650-P658 WeakPolarHBondContact O-CA 3.4Å; Y651-P658 HydrophobicContact CD1-CB 4.21Å; Y651-P658 HydrophobicContact CD2-CB 4.43Å; Y651-P658 HydrophobicContact CE1-CB 3.97Å; Y651-P658 HydrophobicContact CE1-CG 4.19Å; Y651-P658 HydrophobicContact CE2-CB 4.2Å; Y651-P658 HydrophobicContact CG-CB 4.44Å; P658-K671 PolarHBondContact O-NZ 2.75Å |
| 659 | G | 89.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 30.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F647 V650 I668 | F647-G659 VanDerWaalsContact O-CA 3.27Å; F647-G659 WeakPolarHBondContact O-CA 3.4Å; V650-G659 PolarHBondContact O-N 2.72Å; G659-I668 WeakPolarHBondContact O-CG2 3.21Å; G659-I668 PolarHBondContact O-N 2.81Å |
| 660 | F | 92.3 | Very high | 88.5 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 121.6 | 175.6 | -175.4 | -94.6 | 0 | 0 | 0 | 111.6 | F647 T652 R656 P657 N665 | F647-F660 WeakPolarHBondContact CZ-O 3.27Å; T652-F660 WeakPolarHBondContact CB-O 3.27Å; T652-F660 WeakPolarHBondContact CG2-O 3.5Å; T652-F660 PolarHBondContact OG1-O 2.94Å; R656-F660 HydrophobicContact CB-CB 3.79Å; R656-F660 HydrophobicContact CB-CD1 4.02Å; R656-F660 HydrophobicContact CB-CD2 4.16Å; R656-F660 HydrophobicContact CB-CG 3.71Å; R656-F660 HydrophobicContact CG-CD1 3.8Å; R656-F660 HydrophobicContact CG-CD2 4.22Å; R656-F660 HydrophobicContact CG-CE1 4.01Å; R656-F660 HydrophobicContact CG-CE2 4.41Å; R656-F660 HydrophobicContact CG-CG 3.91Å; R656-F660 HydrophobicContact CG-CZ 4.32Å; P657-F660 WeakPolarHBondContact O-CB 3.44Å; F660-N665 HydrophobicContact CZ-CB 4.48Å |
| 661 | D | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 118.4 | -179.4 | -167 | -49.5 | 0 | 0 | 0 | 111.9 | G584 Y644 F647 V663 R664 N665 A666 | G584-D661 WeakPolarHBondContact CA-OD1 3.31Å; Y644-D661 WeakPolarHBondContact CE1-OD2 3.41Å; Y644-D661 VanDerWaalsContact CZ-OD2 3.3Å; Y644-D661 PolarHBondContact OH-OD2 2.91Å; F647-D661 HydrophobicContact CE1-CB 4.48Å; D661-V663 VanDerWaalsContact C-N 3.33Å; D661-V663 PolarHBondContact O-N 2.78Å; D661-V663 PolarHBondContact OD1-N 2.88Å; D661-R664 HydrophobicContact CB-CB 4.33Å; D661-R664 VanDerWaalsContact CG-CZ 3.45Å; D661-R664 IonicContact OD1-CZ 2.67Å; D661-R664 PolarHBondContact OD1-N 3.49Å; D661-R664 VanDerWaalsContact OD1-N 3.08Å; D661-R664 IonicContact OD1-NE 3.9Å; D661-R664 IonicContact OD1-NH1 3.67Å; D661-R664 PolarHBondContact OD1-NH1 3.24Å; D661-R664 IonicContact OD2-CZ 2.76Å; D661-R664 IonicContact OD2-NE 3.28Å; D661-R664 PolarHBondContact OD2-NE 2.99Å; D661-R664 IonicContact OD2-NH1 3.81Å; D661-R664 PolarHBondContact OD2-NH1 3.31Å; D661-R664 IonicContact OD2-NH2 3.71Å; D661-R664 PolarHBondContact OD2-NH2 2.8Å; D661-N665 VanDerWaalsContact O-CA 3.26Å; D661-N665 WeakPolarHBondContact O-CA 3.4Å; D661-N665 PolarHBondContact O-N 3.33Å; D661-A666 WeakPolarHBondContact CB-O 3.26Å; D661-A666 PolarHBondContact N-O 2.98Å; D661-A666 PolarHBondContact O-N 2.91Å |
| 662 | R | 91 | Very high | 88.4 | Confident | 96 Ų | 96 | 56.7 Ų | 56.7 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -24 | -177.9 | -66.5 | -169.1 | -178.8 | 168.4 | -2.6 | 114.2 | G584 L585 T652 | G584-R662 WeakPolarHBondContact O-CB 3.36Å; G584-R662 PolarHBondContact O-N 2.79Å; L585-R662 VanDerWaalsContact O-CD 3.25Å; L585-R662 WeakPolarHBondContact O-CD 3.15Å; L585-R662 VanDerWaalsContact O-CZ 3.32Å; L585-R662 PolarHBondContact O-NE 2.9Å; L585-R662 PolarHBondContact O-NH1 2.95Å; L585-R662 VanDerWaalsContact O-NH1 3.11Å; T652-R662 PolarHBondContact O-NH2 3.31Å |
| 663 | V | 91.2 | Very high | 88.7 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -46.2 | -178.8 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | G583 G587 Y588 N594 D661 | G583-V663 WeakPolarHBondContact O-CG2 3.45Å; G587-V663 VanDerWaalsContact C-CG2 3.48Å; Y588-V663 WeakPolarHBondContact O-CG2 3.34Å; N594-V663 WeakPolarHBondContact ND2-CG1 3.37Å; D661-V663 VanDerWaalsContact C-N 3.33Å; D661-V663 PolarHBondContact O-N 2.78Å; D661-V663 PolarHBondContact OD1-N 2.88Å |
| 664 | R | 92.3 | Very high | 89.1 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 17% | 0.166 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.9 | -178.1 | -78.3 | 76.4 | 80.4 | -172.9 | 13.4 | 112.9 | D591 V626 Y644 D661 A666 | D591-R664 IonicContact OD1-NH1 2.68Å; D591-R664 IonicContact OD2-CZ 2.67Å; D591-R664 IonicContact OD2-NH1 3.26Å; D591-R664 PolarHBondContact OD2-NH1 3.43Å; D591-R664 IonicContact OD2-NH2 3.05Å; D591-R664 PolarHBondContact OD2-NH2 2.88Å; V626-R664 HydrophobicContact CG1-CG 4.46Å; V626-R664 HydrophobicContact CG2-CB 3.82Å; V626-R664 HydrophobicContact CG2-CG 4.01Å; Y644-R664 VanDerWaalsContact CZ-NH2 3.29Å; Y644-R664 VanDerWaalsContact OH-CZ 3.23Å; Y644-R664 PolarHBondContact OH-NE 3.45Å; Y644-R664 PolarHBondContact OH-NH2 3.09Å; D661-R664 HydrophobicContact CB-CB 4.33Å; D661-R664 VanDerWaalsContact CG-CZ 3.45Å; D661-R664 IonicContact OD1-CZ 2.67Å; D661-R664 PolarHBondContact OD1-N 3.49Å; D661-R664 VanDerWaalsContact OD1-N 3.08Å; D661-R664 IonicContact OD1-NE 3.9Å; D661-R664 IonicContact OD1-NH1 3.67Å; D661-R664 PolarHBondContact OD1-NH1 3.24Å; D661-R664 IonicContact OD2-CZ 2.76Å; D661-R664 IonicContact OD2-NE 3.28Å; D661-R664 PolarHBondContact OD2-NE 2.99Å; D661-R664 IonicContact OD2-NH1 3.81Å; D661-R664 PolarHBondContact OD2-NH1 3.31Å; D661-R664 IonicContact OD2-NH2 3.71Å; D661-R664 PolarHBondContact OD2-NH2 2.8Å; R664-A666 PolarHBondContact O-N 2.99Å |
| 665 | N | 91.1 | Very high | 89.7 | Confident | 115 Ų | 115 | 56.5 Ų | 56.5 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 37.3 | -177.3 | -67.5 | -61.4 | 0 | 0 | 0 | 113.3 | F660 D661 | F660-N665 HydrophobicContact CZ-CB 4.48Å; D661-N665 VanDerWaalsContact O-CA 3.26Å; D661-N665 WeakPolarHBondContact O-CA 3.4Å; D661-N665 PolarHBondContact O-N 3.33Å |
| 666 | A | 91.3 | Very high | 90 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V626 D627 D661 R664 | V626-A666 HydrophobicContact CG2-CB 4.19Å; D627-A666 HydrophobicContact CB-CB 4.35Å; D661-A666 WeakPolarHBondContact CB-O 3.26Å; D661-A666 PolarHBondContact N-O 2.98Å; D661-A666 PolarHBondContact O-N 2.91Å; R664-A666 PolarHBondContact O-N 2.99Å |
| 667 | E | 92.8 | Very high | 90.2 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 29% | 0.285 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129.8 | 167.4 | -178.5 | -176.8 | 169.6 | 0 | 0 | 108.7 | D627 P657 K671 | D627-E667 VanDerWaalsContact CA-O 3.26Å; D627-E667 WeakPolarHBondContact CA-O 3.21Å; D627-E667 VanDerWaalsContact CB-O 3.25Å; D627-E667 WeakPolarHBondContact CB-O 3.28Å; P657-E667 HydrophobicContact CB-CG 4.5Å; P657-E667 HydrophobicContact CG-CB 4.2Å; P657-E667 HydrophobicContact CG-CG 4.04Å; P657-E667 WeakPolarHBondContact CG-OE2 3.36Å; E667-K671 WeakPolarHBondContact OE1-CE 3.49Å; E667-K671 IonicContact OE1-NZ 3.97Å; E667-K671 PolarHBondContact OE1-NZ 3.25Å |
| 668 | I | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -59.8 | 142.8 | -178.1 | 65.6 | 176 | 0 | 0 | 0 | 112 | Y644 F647 G659 N670 K671 | Y644-I668 HydrophobicContact CD1-CG2 3.57Å; Y644-I668 HydrophobicContact CE1-CG2 3.42Å; Y644-I668 VanDerWaalsContact CE1-CG2 3.42Å; Y644-I668 HydrophobicContact CE2-CG2 4.48Å; Y644-I668 HydrophobicContact CG-CG2 4.13Å; F647-I668 HydrophobicContact CB-CD1 4.47Å; F647-I668 HydrophobicContact CD1-CD1 4.12Å; F647-I668 HydrophobicContact CD1-CG2 3.97Å; F647-I668 HydrophobicContact CE1-CG2 4.23Å; G659-I668 WeakPolarHBondContact O-CG2 3.21Å; G659-I668 PolarHBondContact O-N 2.81Å; I668-N670 WeakPolarHBondContact CD1-O 3.39Å; I668-K671 HydrophobicContact CD1-CG 4.29Å; I668-K671 HydrophobicContact CG1-CG 3.99Å | ||
| 669 | G | 87.8 | Confident | 90.7 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -69.9 | -49.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V626 R628 Y640 | V626-G669 PolarHBondContact O-N 2.87Å; R628-G669 VanDerWaalsContact N-CA 3.28Å; Y640-G669 PolarHBondContact OH-N 3.48Å |
| 670 | N | 89.3 | Confident | 91 | Very high | 44 Ų | 44 | 48 Ų | 48 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | trans | -104.7 | 112.7 | 178.4 | -168.9 | 4.2 | 0 | 0 | 0 | 110.4 | L635 Y640 I668 D672 F673 | L635-N670 HydrophobicContact CD2-CB 4.2Å; Y640-N670 HydrophobicContact CE1-CB 4.13Å; Y640-N670 PolarHBondContact OH-N 2.86Å; I668-N670 WeakPolarHBondContact CD1-O 3.39Å; N670-D672 PolarHBondContact OD1-O 3.25Å; N670-F673 HydrophobicContact CB-CD1 4.4Å | ||
| 671 | K | 85.8 | Confident | 91.2 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | trans | -93 | -36.9 | -175.6 | -67.7 | -164.5 | 179.6 | -162.9 | 0 | 114.1 | P658 E667 I668 | P658-K671 PolarHBondContact O-NZ 2.75Å; E667-K671 WeakPolarHBondContact OE1-CE 3.49Å; E667-K671 IonicContact OE1-NZ 3.97Å; E667-K671 PolarHBondContact OE1-NZ 3.25Å; I668-K671 HydrophobicContact CD1-CG 4.29Å; I668-K671 HydrophobicContact CG1-CG 3.99Å | ||
| 672 | D | 86.6 | Confident | 91.4 | Very high | 119 Ų | 119 | 52.1 Ų | 52.1 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | trans | -125.5 | 104.5 | -170.8 | -63.1 | -46.6 | 0 | 0 | 0 | 108.9 | N670 | N670-D672 PolarHBondContact OD1-O 3.25Š| ||
| 673 | F | 89.5 | Confident | 91.7 | Very high | 31 Ų | 31 | 49 Ų | 49 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | trans | -147.3 | 153 | 172.3 | 61.2 | -90.3 | 0 | 0 | 0 | 109.2 | Y640 K641 Y645 N670 L675 | Y640-F673 HydrophobicContact CE1-CE1 4.41Å; K641-F673 VanDerWaalsContact CA-CE2 3.44Å; K641-F673 HydrophobicContact CB-CD2 4.18Å; K641-F673 HydrophobicContact CB-CE2 3.58Å; K641-F673 HydrophobicContact CB-CZ 4.17Å; K641-F673 HydrophobicContact CD-CD2 4.23Å; K641-F673 HydrophobicContact CD-CE2 4.46Å; K641-F673 HydrophobicContact CG-CD2 3.99Å; K641-F673 HydrophobicContact CG-CE2 3.85Å; K641-F673 HydrophobicContact CG-CZ 4.44Å; K641-F673 WeakPolarHBondContact O-CE2 3.33Å; K641-F673 WeakPolarHBondContact O-CZ 3.45Å; Y645-F673 HydrophobicContact CD2-CD2 4.45Å; Y645-F673 HydrophobicContact CD2-CE2 4.01Å; N670-F673 HydrophobicContact CB-CD1 4.4Å; F673-L675 HydrophobicContact CE2-CD2 4.42Å | ||
| 674 | E | 90.3 | Very high | 91.9 | Very high | 151 Ų | 151 | 47.6 Ų | 47.6 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | trans | -105.3 | 161.1 | 172.8 | -63.2 | -163.9 | 163.6 | 0 | 0 | 110.9 | ||||
| 675 | L | 91.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | trans | -104.1 | 115.8 | 173.9 | -65.2 | 172.4 | 0 | 0 | 0 | 108.4 | K641 Y645 F673 L678 Y692 K695 | K641-L675 HydrophobicContact CB-CD2 3.81Å; K641-L675 HydrophobicContact CD-CD2 4.16Å; Y645-L675 HydrophobicContact CD1-CD1 4.25Å; Y645-L675 HydrophobicContact CD2-CD1 3.89Å; Y645-L675 HydrophobicContact CD2-CG 3.87Å; Y645-L675 HydrophobicContact CE2-CD1 4.26Å; Y645-L675 HydrophobicContact CE2-CG 4.1Å; Y645-L675 HydrophobicContact CG-CD1 3.88Å; Y645-L675 HydrophobicContact CG-CG 4.37Å; F673-L675 HydrophobicContact CE2-CD2 4.42Å; L675-L678 HydrophobicContact CB-CB 4.25Å; L675-L678 WeakPolarHBondContact CB-O 3.46Å; L675-L678 HydrophobicContact CD1-CB 4.21Å; L675-Y692 HydrophobicContact CD1-CD1 3.76Å; L675-Y692 HydrophobicContact CD1-CE1 3.55Å; L675-K695 PolarHBondContact O-NZ 3.28Å | ||
| 676 | D | 89.9 | Confident | 91.9 | Very high | 94 Ų | 94 | 49.1 Ų | 49.1 | 50% | 0.503 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -80.4 | -37.4 | -176.2 | -65 | -42.4 | 0 | 0 | 0 | 112.2 | E563 K695 R704 | E563-D676 PolarHBondContact OE1-N 2.81Å; D676-K695 WeakPolarHBondContact O-CD 3.46Å; D676-K695 PolarHBondContact O-NZ 3.32Å; D676-R704 VanDerWaalsContact C-NH1 3.3Å; D676-R704 PolarHBondContact O-NH1 2.72Å |
| 677 | V | 90.5 | Very high | 92 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -107 | -16.9 | -174 | -49.1 | 0 | 0 | 0 | 0 | 113.3 | E563 Y567 M570 K695 | E563-V677 HydrophobicContact CG-CB 4.12Å; E563-V677 HydrophobicContact CG-CG1 3.92Å; E563-V677 HydrophobicContact CG-CG2 3.29Å; E563-V677 WeakPolarHBondContact OE1-CG2 3.41Å; E563-V677 PolarHBondContact OE1-N 3.46Å; Y567-V677 HydrophobicContact CD1-CG1 4.33Å; Y567-V677 HydrophobicContact CD2-CB 3.51Å; Y567-V677 HydrophobicContact CD2-CG1 4.05Å; Y567-V677 HydrophobicContact CD2-CG2 3.84Å; Y567-V677 HydrophobicContact CE2-CB 4.02Å; Y567-V677 HydrophobicContact CG-CB 3.85Å; Y567-V677 HydrophobicContact CG-CG1 3.86Å; Y567-V677 HydrophobicContact CG-CG2 4.21Å; M570-V677 HydrophobicContact CE-CG2 4.15Å; V677-K695 WeakPolarHBondContact O-CB 3.47Å; V677-K695 PolarHBondContact O-N 2.76Å |
| 678 | L | 93.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 149.2 | 177.9 | -64.5 | -177.8 | 0 | 0 | 0 | 111.1 | M570 V578 L638 M642 L675 Y692 K693 V694 K695 | M570-L678 HydrophobicContact CE-CD2 3.94Å; M570-L678 HydrophobicContact CE-CG 4.43Å; M570-L678 HydrophobicContact SD-CD2 4.13Å; V578-L678 HydrophobicContact CG2-CD2 4.27Å; L638-L678 HydrophobicContact CD1-CD1 3.82Å; L638-L678 HydrophobicContact CD2-CD1 4.48Å; L638-L678 HydrophobicContact CG-CD1 4.47Å; M642-L678 HydrophobicContact CG-CD1 3.76Å; M642-L678 HydrophobicContact SD-CD1 3.56Å; M642-L678 VanDerWaalsContact SD-CD1 3.56Å; L675-L678 HydrophobicContact CB-CB 4.25Å; L675-L678 WeakPolarHBondContact CB-O 3.46Å; L675-L678 HydrophobicContact CD1-CB 4.21Å; L678-Y692 HydrophobicContact CB-CD1 4.47Å; L678-Y692 HydrophobicContact CD1-CG 4.46Å; L678-K693 WeakPolarHBondContact CA-O 3.44Å; L678-V694 HydrophobicContact CD2-CB 4.28Å; L678-V694 HydrophobicContact CD2-CG2 3.78Å; L678-K695 VanDerWaalsContact O-CE 3.26Å; L678-K695 WeakPolarHBondContact O-CE 3.43Å; L678-K695 PolarHBondContact O-NZ 2.95Å |
| 679 | E | 94.6 | Very high | 92.3 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.5 | 167.2 | 65.2 | -174.4 | 177.8 | 0 | 0 | 110 | A681 Y692 K693 K695 | E679-A681 PolarHBondContact O-N 3.35Å; E679-Y692 CarbonylContact O-C 3.5Å; E679-Y692 VanDerWaalsContact O-CA 3.28Å; E679-Y692 WeakPolarHBondContact O-CA 3.45Å; E679-K693 HydrophobicContact CG-CB 3.7Å; E679-K693 HydrophobicContact CG-CG 4.2Å; E679-K693 PolarHBondContact N-O 3.02Å; E679-K693 PolarHBondContact O-N 3.45Å; E679-K693 WeakPolarHBondContact OE1-CD 3.46Å; E679-K693 WeakPolarHBondContact OE1-CE 3.49Å; E679-K693 WeakPolarHBondContact OE1-CG 3.22Å; E679-K693 IonicContact OE1-NZ 3.48Å; E679-K693 PolarHBondContact OE1-NZ 3.21Å; E679-K695 HydrophobicContact CB-CG 4.41Å; E679-K695 HydrophobicContact CG-CG 4.46Å |
| 680 | E | 95.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 116 | 174.1 | -179.8 | 176.2 | -145.1 | 0 | 0 | 109 | Y645 R646 T683 R690 Y692 | Y645-E680 HydrophobicContact CD1-CB 4.18Å; Y645-E680 HydrophobicContact CE1-CB 3.91Å; R646-E680 IonicContact CZ-OE2 2.76Å; R646-E680 IonicContact NH1-OE2 2.73Å; R646-E680 PolarHBondContact NH1-OE2 2.78Å; E680-T683 PolarHBondContact OE1-OG1 2.83Å; E680-R690 IonicContact OE1-CZ 3.98Å; E680-R690 IonicContact OE1-NE 2.73Å; E680-R690 IonicContact OE1-NH2 3.94Å; E680-R690 PolarHBondContact OE1-NH2 3.49Å; E680-Y692 HydrophobicContact CB-CD1 4.28Å; E680-Y692 HydrophobicContact CB-CE1 3.99Å; E680-Y692 HydrophobicContact CG-CE1 4.37Å |
| 681 | A | 95.8 | Very high | 93.1 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -40.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | W511 Y577 E679 I691 K693 | W511-A681 HydrophobicContact CH2-CB 3.8Å; W511-A681 HydrophobicContact CZ2-CB 4.47Å; Y577-A681 HydrophobicContact CD1-CB 4.48Å; Y577-A681 HydrophobicContact CE1-CB 4.22Å; E679-A681 PolarHBondContact O-N 3.35Å; A681-I691 WeakPolarHBondContact CB-O 3.33Å; A681-I691 PolarHBondContact N-O 3.32Å; A681-K693 HydrophobicContact CB-CB 4.06Å |
| 682 | Y | 96.9 | Very high | 93.6 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 141.4 | 175.8 | -167.1 | -108.7 | 0 | 0 | 0 | 111.6 | E507 W511 T684 I691 | E507-Y682 HydrophobicContact CG-CE1 4.33Å; E507-Y682 PolarHBondContact OE1-OH 3.23Å; W511-Y682 HydrophobicContact CB-CD1 4.07Å; W511-Y682 HydrophobicContact CB-CE1 4.05Å; W511-Y682 HydrophobicContact CB-CG 4.36Å; W511-Y682 AromaticContact CD1-CD2 3.25Å; W511-Y682 AromaticContact CD1-CE2 3.34Å; W511-Y682 AromaticContact CD1-CG 3.67Å; W511-Y682 AromaticContact CD1-CZ 3.86Å; W511-Y682 HydrophobicContact CD2-CD1 4.15Å; W511-Y682 AromaticContact CD2-CD2 3.97Å; W511-Y682 HydrophobicContact CD2-CD2 3.97Å; W511-Y682 AromaticContact CD2-CG 3.65Å; W511-Y682 HydrophobicContact CD2-CG 3.65Å; W511-Y682 AromaticContact CE2-CD2 3.71Å; W511-Y682 AromaticContact CE2-CG 3.76Å; W511-Y682 HydrophobicContact CE3-CG 4.24Å; W511-Y682 AromaticContact CG-CD1 3.87Å; W511-Y682 HydrophobicContact CG-CD1 3.87Å; W511-Y682 AromaticContact CG-CD2 3.75Å; W511-Y682 HydrophobicContact CG-CD2 3.75Å; W511-Y682 HydrophobicContact CG-CE1 4.14Å; W511-Y682 HydrophobicContact CG-CE2 4Å; W511-Y682 AromaticContact CG-CG 3.66Å; W511-Y682 HydrophobicContact CG-CG 3.66Å; W511-Y682 HydrophobicContact CZ2-CD2 4.49Å; W511-Y682 HydrophobicContact CZ2-CG 4.44Å; W511-Y682 AromaticContact NE1-CD2 3.23Å; W511-Y682 AromaticContact NE1-CE2 3.74Å; W511-Y682 AromaticContact NE1-CG 3.74Å; Y682-T684 HydrophobicContact CD1-CG2 4.5Å; Y682-T684 HydrophobicContact CE1-CG2 4.04Å; Y682-I691 HydrophobicContact CD1-CD1 4.31Å; Y682-I691 PolarHBondContact N-O 3.46Å; Y682-I691 PolarHBondContact O-N 3.28Å |
| 683 | T | 96.3 | Very high | 94.1 | Very high | 29 Ų | 29 | 41.2 Ų | 41.2 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 128.7 | 170.5 | -70.8 | 0 | 0 | 0 | 0 | 107.3 | E680 W687 R690 | E680-T683 PolarHBondContact OE1-OG1 2.83Å; T683-W687 HydrophobicContact CG2-CB 4.05Å; T683-W687 HydrophobicContact CG2-CD2 3.93Å; T683-W687 HydrophobicContact CG2-CG 3.57Å; T683-R690 HydrophobicContact CG2-CG 4.2Å; T683-R690 PolarHBondContact OG1-NE 3.25Å |
| 684 | T | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | trans | -64.7 | 163.8 | -178.5 | 43.8 | 0 | 0 | 0 | 0 | 113.3 | D504 E507 A508 Y682 H686 W687 L688 V689 | D504-T684 HydrophobicContact CB-CG2 3.92Å; D504-T684 VanDerWaalsContact O-CG2 3.27Å; D504-T684 WeakPolarHBondContact O-CG2 3.36Å; E507-T684 HydrophobicContact CB-CG2 4.46Å; A508-T684 HydrophobicContact CB-CG2 3.68Å; Y682-T684 HydrophobicContact CD1-CG2 4.5Å; Y682-T684 HydrophobicContact CE1-CG2 4.04Å; T684-H686 VanDerWaalsContact C-N 3.3Å; T684-H686 PolarHBondContact O-N 3.29Å; T684-W687 PolarHBondContact O-N 2.52Å; T684-L688 PolarHBondContact OG1-N 3.03Å; T684-L688 VanDerWaalsContact OG1-N 3.16Å; T684-V689 HydrophobicContact CG2-CB 3.97Å; T684-V689 WeakPolarHBondContact CG2-O 3.39Å; T684-V689 PolarHBondContact N-O 3.37Å; T684-V689 VanDerWaalsContact N-O 3.15Å; T684-V689 PolarHBondContact OG1-N 2.91Å; T684-V689 PolarHBondContact OG1-O 3.44Å | ||
| 685 | E | 93 | Very high | 94.5 | Very high | 144 Ų | 144 | 36 Ų | 36 | 67% | 0.673 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -46.6 | -176.7 | -175.3 | 176.1 | -171.4 | 0 | 0 | 113 | E507 | E507-E685 PolarHBondContact OE1-N 3.05Å; E507-E685 PolarHBondContact OE2-N 2.77Å |
| 686 | H | 91.2 | Very high | 94.4 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 21% | 0.213 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 17.2 | -179.8 | -43.2 | 83.6 | 0 | 0 | 0 | 113.3 | F502 D504 T586 T684 L688 | F502-H686 HydrophobicContact CD1-CB 4.26Å; F502-H686 AromaticContact CD1-CD2 3.7Å; F502-H686 AromaticContact CD1-CE1 3.77Å; F502-H686 AromaticContact CD1-CG 3.61Å; F502-H686 AromaticContact CD1-ND1 3.64Å; F502-H686 AromaticContact CD1-NE2 3.76Å; F502-H686 AromaticContact CE1-CD2 3.6Å; F502-H686 AromaticContact CE1-CG 3.93Å; F502-H686 AromaticContact CE1-NE2 3.81Å; D504-H686 IonicContact OD1-CE1 3.75Å; D504-H686 IonicContact OD1-CG 2.99Å; D504-H686 IonicContact OD1-ND1 3.58Å; D504-H686 PolarHBondContact OD1-ND1 3.42Å; D504-H686 WeakPolarHBondContact OD2-CA 3.49Å; D504-H686 WeakPolarHBondContact OD2-CB 3.36Å; D504-H686 IonicContact OD2-CG 3.02Å; D504-H686 PolarHBondContact OD2-N 3.26Å; D504-H686 IonicContact OD2-ND1 2.94Å; D504-H686 PolarHBondContact OD2-ND1 3.46Å; T586-H686 HydrophobicContact CG2-CB 3.49Å; T586-H686 VanDerWaalsContact CG2-CB 3.49Å; T684-H686 VanDerWaalsContact C-N 3.3Å; T684-H686 PolarHBondContact O-N 3.29Å; H686-L688 PolarHBondContact O-N 3.04Å; H686-L688 VanDerWaalsContact O-N 3.13Å |
| 687 | W | 93.6 | Very high | 94 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 21% | 0.208 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 58.9 | 20.5 | 177.6 | -65.5 | 27.3 | 0 | 0 | 0 | 113.9 | F582 L585 F647 V650 T683 T684 | F582-W687 HydrophobicContact CD1-CB 4.37Å; F582-W687 HydrophobicContact CE1-CE3 4.48Å; L585-W687 HydrophobicContact CB-CB 4.43Å; L585-W687 HydrophobicContact CD2-CB 3.98Å; L585-W687 HydrophobicContact CD2-CD2 4.42Å; L585-W687 HydrophobicContact CD2-CG 3.91Å; F647-W687 HydrophobicContact CB-CZ3 4.27Å; F647-W687 HydrophobicContact CD2-CE3 4.06Å; F647-W687 AromaticContact CD2-CZ3 3.96Å; F647-W687 HydrophobicContact CD2-CZ3 3.96Å; V650-W687 HydrophobicContact CG2-CH2 3.36Å; V650-W687 HydrophobicContact CG2-CZ2 3.92Å; V650-W687 HydrophobicContact CG2-CZ3 3.8Å; T683-W687 HydrophobicContact CG2-CB 4.05Å; T683-W687 HydrophobicContact CG2-CD2 3.93Å; T683-W687 HydrophobicContact CG2-CG 3.57Å; T684-W687 PolarHBondContact O-N 2.52Å |
| 688 | L | 93.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -66.5 | -42 | 178.6 | -80.8 | 174.8 | 0 | 0 | 0 | 112.4 | L490 F502 D504 I581 F582 T586 Y588 T684 H686 | L490-L688 HydrophobicContact CD1-CD1 4.04Å; F502-L688 HydrophobicContact CB-CD1 4.12Å; D504-L688 HydrophobicContact CB-CB 3.73Å; D504-L688 HydrophobicContact CB-CD1 3.91Å; D504-L688 HydrophobicContact CB-CG 4.33Å; D504-L688 WeakPolarHBondContact OD2-CB 3.14Å; D504-L688 WeakPolarHBondContact OD2-CD1 3.48Å; D504-L688 WeakPolarHBondContact OD2-CG 2.91Å; I581-L688 CarbonylContact C-O 3.6Å; I581-L688 VanDerWaalsContact CA-O 3.3Å; I581-L688 WeakPolarHBondContact CA-O 3.16Å; I581-L688 WeakPolarHBondContact CG2-O 3.37Å; F582-L688 PolarHBondContact N-O 3.06Å; F582-L688 VanDerWaalsContact O-CA 3.31Å; F582-L688 WeakPolarHBondContact O-CA 3.39Å; T586-L688 HydrophobicContact CG2-CD2 4.23Å; T586-L688 HydrophobicContact CG2-CG 4.09Å; T586-L688 WeakPolarHBondContact OG1-CD2 3.33Å; Y588-L688 HydrophobicContact CD1-CD2 4.2Å; Y588-L688 HydrophobicContact CG-CD2 4.05Å; T684-L688 PolarHBondContact OG1-N 3.03Å; T684-L688 VanDerWaalsContact OG1-N 3.16Å; H686-L688 PolarHBondContact O-N 3.04Å; H686-L688 VanDerWaalsContact O-N 3.13Å |
| 689 | V | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130 | 178.2 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | F505 A508 L579 T684 | F505-V689 HydrophobicContact CD1-CG2 4.09Å; F505-V689 HydrophobicContact CE1-CG2 4.38Å; F505-V689 HydrophobicContact CG-CG2 4.42Å; A508-V689 HydrophobicContact CB-CB 3.69Å; A508-V689 HydrophobicContact CB-CG1 3.51Å; A508-V689 HydrophobicContact CB-CG2 4.27Å; L579-V689 HydrophobicContact CD1-CG1 3.81Å; L579-V689 HydrophobicContact CD2-CG1 4.08Å; L579-V689 HydrophobicContact CG-CG1 3.78Å; T684-V689 HydrophobicContact CG2-CB 3.97Å; T684-V689 WeakPolarHBondContact CG2-O 3.39Å; T684-V689 PolarHBondContact N-O 3.37Å; T684-V689 VanDerWaalsContact N-O 3.15Å; T684-V689 PolarHBondContact OG1-N 2.91Å; T684-V689 PolarHBondContact OG1-O 3.44Å |
| 690 | R | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135.1 | 177.9 | -49.8 | -170.8 | 74.7 | 172 | -1 | 109.7 | V580 C643 Y645 E680 T683 Y692 | V580-R690 HydrophobicContact CG2-CB 3.94Å; V580-R690 PolarHBondContact N-O 3.4Å; V580-R690 PolarHBondContact O-N 2.94Å; C643-R690 PolarHBondContact O-NH1 3.07Å; Y645-R690 VanDerWaalsContact O-CZ 3.32Å; Y645-R690 PolarHBondContact O-NH1 3.15Å; Y645-R690 PolarHBondContact O-NH2 2.64Å; E680-R690 IonicContact OE1-CZ 3.98Å; E680-R690 IonicContact OE1-NE 2.73Å; E680-R690 IonicContact OE1-NH2 3.94Å; E680-R690 PolarHBondContact OE1-NH2 3.49Å; T683-R690 HydrophobicContact CG2-CG 4.2Å; T683-R690 PolarHBondContact OG1-NE 3.25Å; R690-Y692 HydrophobicContact CB-CE2 3.74Å; R690-Y692 PolarHBondContact NE-OH 3.02Å; R690-Y692 VanDerWaalsContact NE-OH 3.09Å; R690-Y692 PolarHBondContact NH2-OH 2.9Å |
| 691 | I | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.5 | -177.4 | -58.3 | 161.8 | 0 | 0 | 0 | 108.5 | A508 W511 L512 Y577 V578 L579 A681 Y682 | A508-I691 HydrophobicContact CB-CD1 4.14Å; W511-I691 HydrophobicContact CE3-CD1 3.67Å; W511-I691 HydrophobicContact CZ3-CB 4.43Å; W511-I691 HydrophobicContact CZ3-CD1 4.06Å; W511-I691 HydrophobicContact CZ3-CG2 3.94Å; L512-I691 HydrophobicContact CD1-CD1 4Å; L512-I691 HydrophobicContact CD2-CD1 4.1Å; L512-I691 HydrophobicContact CD2-CG2 4.07Å; L512-I691 HydrophobicContact CG-CD1 3.67Å; Y577-I691 HydrophobicContact CD1-CG2 3.95Å; Y577-I691 HydrophobicContact CG-CG2 4.49Å; V578-I691 WeakPolarHBondContact O-CA 3.25Å; L579-I691 HydrophobicContact CD1-CG1 4.3Å; L579-I691 HydrophobicContact CG-CG1 4.42Å; A681-I691 WeakPolarHBondContact CB-O 3.33Å; A681-I691 PolarHBondContact N-O 3.32Å; Y682-I691 HydrophobicContact CD1-CD1 4.31Å; Y682-I691 PolarHBondContact N-O 3.46Å; Y682-I691 PolarHBondContact O-N 3.28Å |
| 692 | Y | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 145.2 | 176.5 | -63.8 | -87.3 | 0 | 0 | 0 | 109.8 | Y577 V578 V580 M642 Y645 L675 L678 E679 E680 R690 | Y577-Y692 CarbonylContact C-O 3.45Å; Y577-Y692 WeakPolarHBondContact CA-O 3.34Å; V578-Y692 PolarHBondContact N-O 3.27Å; V578-Y692 PolarHBondContact O-N 3.1Å; V580-Y692 HydrophobicContact CG2-CD2 4.34Å; V580-Y692 HydrophobicContact CG2-CE2 3.87Å; M642-Y692 HydrophobicContact CB-CD2 4.17Å; M642-Y692 HydrophobicContact CB-CE2 3.83Å; M642-Y692 HydrophobicContact CG-CD2 4.13Å; M642-Y692 HydrophobicContact CG-CE2 4.25Å; M642-Y692 PolarHBondContact O-OH 3.44Å; M642-Y692 HydrophobicContact SD-CD2 4.15Å; Y645-Y692 HydrophobicContact CD1-CE1 4.19Å; L675-Y692 HydrophobicContact CD1-CD1 3.76Å; L675-Y692 HydrophobicContact CD1-CE1 3.55Å; L678-Y692 HydrophobicContact CB-CD1 4.47Å; L678-Y692 HydrophobicContact CD1-CG 4.46Å; E679-Y692 CarbonylContact O-C 3.5Å; E679-Y692 VanDerWaalsContact O-CA 3.28Å; E679-Y692 WeakPolarHBondContact O-CA 3.45Å; E680-Y692 HydrophobicContact CB-CD1 4.28Å; E680-Y692 HydrophobicContact CB-CE1 3.99Å; E680-Y692 HydrophobicContact CG-CE1 4.37Å; R690-Y692 HydrophobicContact CB-CE2 3.74Å; R690-Y692 PolarHBondContact NE-OH 3.02Å; R690-Y692 VanDerWaalsContact NE-OH 3.09Å; R690-Y692 PolarHBondContact NH2-OH 2.9Å |
| 693 | K | 96.6 | Very high | 86.7 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 33% | 0.326 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 136.6 | 171 | 173.9 | 164.5 | 164.3 | -112.4 | 0 | 109.3 | Y577 L678 E679 A681 | Y577-K693 HydrophobicContact CD1-CB 3.86Å; Y577-K693 HydrophobicContact CD1-CG 4.41Å; Y577-K693 HydrophobicContact CE1-CB 3.72Å; Y577-K693 HydrophobicContact CE1-CD 3.88Å; Y577-K693 HydrophobicContact CE1-CG 4.03Å; L678-K693 WeakPolarHBondContact CA-O 3.44Å; E679-K693 HydrophobicContact CG-CB 3.7Å; E679-K693 HydrophobicContact CG-CG 4.2Å; E679-K693 PolarHBondContact N-O 3.02Å; E679-K693 PolarHBondContact O-N 3.45Å; E679-K693 WeakPolarHBondContact OE1-CD 3.46Å; E679-K693 WeakPolarHBondContact OE1-CE 3.49Å; E679-K693 WeakPolarHBondContact OE1-CG 3.22Å; E679-K693 IonicContact OE1-NZ 3.48Å; E679-K693 PolarHBondContact OE1-NZ 3.21Å; A681-K693 HydrophobicContact CB-CB 4.06Å |
| 694 | V | 95.3 | Very high | 84.6 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 123 | 176 | -177 | 0 | 0 | 0 | 0 | 108.1 | Y567 M570 V575 S576 V578 L678 | Y567-V694 HydrophobicContact CD2-CG1 4Å; Y567-V694 HydrophobicContact CE2-CG1 3.62Å; M570-V694 HydrophobicContact SD-CG2 3.86Å; V575-V694 HydrophobicContact CB-CG2 4.38Å; V575-V694 HydrophobicContact CG1-CG2 3.91Å; S576-V694 PolarHBondContact O-N 2.89Å; V578-V694 HydrophobicContact CG2-CG2 3.99Å; L678-V694 HydrophobicContact CD2-CB 4.28Å; L678-V694 HydrophobicContact CD2-CG2 3.78Å |
| 695 | K | 92.8 | Very high | 81.9 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 28% | 0.283 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 147.8 | 178.3 | -66.5 | 173.9 | -177.7 | 162.2 | 0 | 110.4 | Y567 L675 D676 V677 L678 E679 | Y567-K695 WeakPolarHBondContact CE2-O 3.46Å; Y567-K695 PolarHBondContact OH-O 3.37Å; L675-K695 PolarHBondContact O-NZ 3.28Å; D676-K695 WeakPolarHBondContact O-CD 3.46Å; D676-K695 PolarHBondContact O-NZ 3.32Å; V677-K695 WeakPolarHBondContact O-CB 3.47Å; V677-K695 PolarHBondContact O-N 2.76Å; L678-K695 VanDerWaalsContact O-CE 3.26Å; L678-K695 WeakPolarHBondContact O-CE 3.43Å; L678-K695 PolarHBondContact O-NZ 2.95Å; E679-K695 HydrophobicContact CB-CG 4.41Å; E679-K695 HydrophobicContact CG-CG 4.46Å |
| 696 | D | 88.3 | Confident | 81.3 | Confident | 124 Ų | 124 | 77.5 Ų | 77.5 | 66% | 0.663 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 161.4 | 169.5 | -69.1 | -46.9 | 0 | 0 | 0 | 111.1 | Y567 R571 | Y567-D696 PolarHBondContact OH-O 3.43Å; R571-D696 IonicContact NH1-OD1 3.9Å |
| 697 | L | 81.4 | Confident | 80.8 | Confident | 111 Ų | 111 | 79.1 Ų | 79.1 | 58% | 0.581 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 143 | 173.7 | -73.7 | 166.1 | 0 | 0 | 0 | 109.5 | Y567 N699 | Y567-L697 HydrophobicContact CE1-CD2 3.93Å; Y567-L697 PolarHBondContact OH-N 2.93Å; L697-N699 PolarHBondContact O-N 2.73Å |
| 698 | D | 79.4 | Confident | 80.1 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 40% | 0.401 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 131.6 | 175.1 | -72.1 | -32.9 | 0 | 0 | 0 | 109.8 | R700 R704 | D698-R700 WeakPolarHBondContact CB-O 3.29Å; D698-R700 PolarHBondContact O-N 2.62Å; D698-R704 IonicContact OD1-CZ 2.67Å; D698-R704 IonicContact OD1-NH2 3.5Å; D698-R704 PolarHBondContact OD1-NH2 3.25Å; D698-R704 IonicContact OD2-CZ 3.37Å; D698-R704 IonicContact OD2-NE 2.86Å; D698-R704 PolarHBondContact OD2-NE 3.34Å; D698-R704 IonicContact OD2-NH2 3.41Å; D698-R704 PolarHBondContact OD2-NH2 2.75Å |
| 699 | N | 78.7 | Confident | 79.3 | Confident | 174 Ų | 174 | 85.1 Ų | 85.1 | 93% | 0.93 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -56.1 | -15 | -179.4 | -76.1 | -36.5 | 0 | 0 | 0 | 113.5 | L697 | L697-N699 PolarHBondContact O-N 2.73Š|
| 700 | R | 77.7 | Confident | 78.2 | Confident | 208 Ų | 208 | 90.4 Ų | 90.4 | 79% | 0.785 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -130.7 | 128.3 | 172.6 | -63 | -178.7 | 178.5 | -179 | -0.6 | 107.8 | D698 L702 | D698-R700 WeakPolarHBondContact CB-O 3.29Å; D698-R700 PolarHBondContact O-N 2.62Å; R700-L702 PolarHBondContact O-N 3.48Å |
| 701 | G | 68.1 | Low | 76.9 | Confident | 88 Ų | 88 | 96.5 Ų | 96.5 | 91% | 0.907 | 52% | 0.52 | S | S | * | . | trans | -70 | 58.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S703 | G701-S703 PolarHBondContact O-N 2.72Š| ||
| 702 | L | 58 | Low | 75.5 | Confident | 138 Ų | 138 | 103.4 Ų | 103.4 | 72% | 0.723 | 56% | 0.558 | S | S | * | * | trans | -69.5 | 113.9 | 163.4 | -73.2 | 163.4 | 0 | 0 | 0 | 106.8 | R700 R704 | R700-L702 PolarHBondContact O-N 3.48Å; L702-R704 PolarHBondContact O-N 3.45Å | ||
| 703 | S | 52 | Low | 73.8 | Confident | 99 Ų | 99 | 111.3 Ų | 111.3 | 69% | 0.692 | 60% | 0.6 | S | S | * | * | trans | -59.4 | 109.4 | 171.1 | 54.5 | 0 | 0 | 0 | 0 | 108.1 | G701 T705 | G701-S703 PolarHBondContact O-N 2.72Å; S703-T705 PolarHBondContact O-N 2.86Å | ||
| 704 | R | 53.3 | Low | 71.9 | Confident | 112 Ų | 112 | 114.3 Ų | 114.3 | 42% | 0.423 | 62% | 0.623 | S | S | . | * | trans | -68.7 | 108.4 | 167.2 | -62.2 | -178.5 | -177.8 | -166.5 | -1.3 | 106 | D676 D698 L702 | D676-R704 VanDerWaalsContact C-NH1 3.3Å; D676-R704 PolarHBondContact O-NH1 2.72Å; D698-R704 IonicContact OD1-CZ 2.67Å; D698-R704 IonicContact OD1-NH2 3.5Å; D698-R704 PolarHBondContact OD1-NH2 3.25Å; D698-R704 IonicContact OD2-CZ 3.37Å; D698-R704 IonicContact OD2-NE 2.86Å; D698-R704 PolarHBondContact OD2-NE 3.34Å; D698-R704 IonicContact OD2-NH2 3.41Å; D698-R704 PolarHBondContact OD2-NH2 2.75Å; L702-R704 PolarHBondContact O-N 3.45Å | ||
| 705 | T | 37.7 | Very low | 69.8 | Low | 169 Ų | 169 | 123.9 Ų | 123.9 | 100% | 1.037 | 68% | 0.675 | S | S | * | * | trans | -112.6 | 0 | 175.8 | 48.7 | 0 | 0 | 0 | 0 | 110.2 | S703 | S703-T705 PolarHBondContact O-N 2.86Š|
Retrieved 705 of 705 residues in 667.1 ms
(Link to these results)