| 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 | 39 | Very low | 35.5 | Very low | 236 Ų | 236 | 162.6 Ų | 162.6 | 100% | 1.163 | 81% | 0.807 | S | S | * | * | 0 | 89.7 | 0 | -173.1 | -179.9 | -167.6 | 0 | 0 | 109.6 | |||||
| 2 | Y | 29.9 | Very low | 38.8 | Very low | 227 Ų | 227 | 162 Ų | 162 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -163.1 | 147.4 | 161.3 | -92.7 | -75 | 0 | 0 | 0 | 105.1 | ||||
| 3 | F | 30 | Very low | 42.6 | Very low | 199 Ų | 199 | 161.4 Ų | 161.4 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 76.9 | 27 | -179.4 | -69.9 | -80.2 | 0 | 0 | 0 | 120.7 | ||
| 4 | I | 33.9 | Very low | 46.4 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | trans | -131.2 | 64 | 152.7 | -45.2 | 179.3 | 0 | 0 | 0 | 110.6 | ||||
| 5 | T | 35.7 | Very low | 49.7 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -137.2 | 134.8 | 160.4 | 39.8 | 0 | 0 | 0 | 0 | 107.6 | ||
| 6 | N | 28.2 | Very low | 52.7 | Low | 159 Ų | 159 | 136.3 Ų | 136.3 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | trans | 72.4 | 24.6 | 178.5 | -58.1 | -24.5 | 0 | 0 | 0 | 119.4 | Q8 | N6-Q8 PolarHBondContact O-N 2.68Š| ||
| 7 | I | 32.2 | Very low | 55.3 | Low | 134 Ų | 134 | 130.6 Ų | 130.6 | 69% | 0.687 | 64% | 0.639 | S | S | * | * | trans | -80.2 | 103.1 | 138 | -52.7 | -176.9 | 0 | 0 | 0 | 105.8 | L9 | I7-L9 HydrophobicContact CB-CG 4.44Å; I7-L9 HydrophobicContact CG2-CD2 3.99Å; I7-L9 HydrophobicContact CG2-CG 3.77Å; I7-L9 PolarHBondContact O-N 3.16Å | ||
| 8 | Q | 30.1 | Very low | 57.7 | Low | 190 Ų | 190 | 125.6 Ų | 125.6 | 89% | 0.888 | 62% | 0.622 | S | S | * | * | trans | -66.7 | 78.4 | 159.3 | -76.1 | -176.1 | -25.1 | 0 | 0 | 107.7 | N6 G10 | N6-Q8 PolarHBondContact O-N 2.68Å; Q8-G10 PolarHBondContact O-N 3.11Å | ||
| 9 | L | 40.2 | Very low | 59.8 | Low | 117 Ų | 117 | 119 Ų | 119 | 61% | 0.613 | 59% | 0.59 | S | S | * | * | trans | -61.5 | 92.3 | 161.7 | -75.5 | 170.6 | 0 | 0 | 0 | 105.6 | I7 Y11 | I7-L9 HydrophobicContact CB-CG 4.44Å; I7-L9 HydrophobicContact CG2-CD2 3.99Å; I7-L9 HydrophobicContact CG2-CG 3.77Å; I7-L9 PolarHBondContact O-N 3.16Å; L9-Y11 PolarHBondContact O-N 3.27Å | ||
| 10 | G | 41.7 | Very low | 61.7 | Low | 59 Ų | 59 | 113.1 Ų | 113.1 | 61% | 0.608 | 56% | 0.56 | S | S | * | * | trans | -56.2 | 105.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q8 F12 | Q8-G10 PolarHBondContact O-N 3.11Å; G10-F12 PolarHBondContact O-N 3.38Å | ||
| 11 | Y | 50 | Low | 63.4 | Low | 178 Ų | 178 | 112.9 Ų | 112.9 | 70% | 0.698 | 56% | 0.559 | S | S | * | * | trans | -43.7 | 105.1 | -158.8 | -72.5 | -82 | 0 | 0 | 0 | 111.9 | L9 R13 H52 | L9-Y11 PolarHBondContact O-N 3.27Å; Y11-R13 PolarHBondContact O-N 2.8Å; Y11-H52 AromaticContact CD1-ND1 3.93Å | ||
| 12 | F | 75.1 | Confident | 66.3 | Low | 155 Ų | 155 | 102.6 Ų | 102.6 | 68% | 0.68 | 51% | 0.51 | S | S | * | . | trans | -66.5 | 109.6 | 178.2 | -79.5 | -83.4 | 0 | 0 | 0 | 107.5 | G10 T14 S50 | G10-F12 PolarHBondContact O-N 3.38Å; F12-T14 PolarHBondContact O-N 3.38Å; F12-S50 VanDerWaalsContact O-CB 3.31Å; F12-S50 WeakPolarHBondContact O-CB 3.33Å | ||
| 13 | R | 88.6 | Confident | 69.5 | Low | 154 Ų | 154 | 91.8 Ų | 91.8 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 123.3 | 170.3 | -65.1 | -176.8 | -177.8 | -173.3 | -0.2 | 108 | Y11 T127 | Y11-R13 PolarHBondContact O-N 2.8Å; R13-T127 HydrophobicContact CB-CG2 3.81Å |
| 14 | T | 95.2 | Very high | 72.7 | Confident | 19 Ų | 19 | 83.9 Ų | 83.9 | 12% | 0.117 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 130.5 | -176.3 | -73.9 | 0 | 0 | 0 | 0 | 110.2 | F12 Y16 A18 I46 S50 D53 T127 I128 | F12-T14 PolarHBondContact O-N 3.38Å; T14-Y16 PolarHBondContact O-N 3.15Å; T14-A18 HydrophobicContact CG2-CB 3.9Å; T14-I46 HydrophobicContact CG2-CD1 3.8Å; T14-S50 PolarHBondContact OG1-OG 2.83Å; T14-D53 PolarHBondContact N-OD2 2.84Å; T14-T127 CarbonylContact O-C 3.51Å; T14-T127 VanDerWaalsContact O-CA 3.26Å; T14-T127 WeakPolarHBondContact O-CA 3.46Å; T14-T127 WeakPolarHBondContact O-CB 3.45Å; T14-I128 HydrophobicContact CG2-CD1 3.58Å; T14-I128 HydrophobicContact CG2-CG1 4.22Å; T14-I128 PolarHBondContact O-N 3.34Å |
| 15 | P | 95.8 | Very high | 75.7 | Confident | 63 Ų | 63 | 79.6 Ų | 79.6 | 41% | 0.409 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -58.2 | 134.3 | 171.1 | -24 | 34.5 | 0 | 0 | 0 | 111 | M17 A18 L126 | P15-M17 PolarHBondContact O-N 3.22Å; P15-A18 WeakPolarHBondContact O-CB 3.44Å; P15-A18 PolarHBondContact O-N 3.03Å; P15-L126 CarbonylContact C-O 3.54Å; P15-L126 WeakPolarHBondContact CA-O 3.09Å |
| 16 | Y | 97.6 | Very high | 78.6 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.1 | -30.8 | -179.1 | 176.9 | -111.9 | 0 | 0 | 0 | 112.3 | T14 A18 L19 A20 L60 L126 I128 L131 E165 F168 V169 | T14-Y16 PolarHBondContact O-N 3.15Å; Y16-A18 PolarHBondContact O-N 2.9Å; Y16-A18 VanDerWaalsContact O-N 3.1Å; Y16-L19 HydrophobicContact CD2-CB 4.38Å; Y16-L19 HydrophobicContact CD2-CD2 4.34Å; Y16-L19 HydrophobicContact CE2-CB 4.49Å; Y16-L19 HydrophobicContact CE2-CD2 4.02Å; Y16-L19 HydrophobicContact CE2-CG 4.37Å; Y16-L19 PolarHBondContact O-N 3.24Å; Y16-A20 HydrophobicContact CD1-CB 4.4Å; Y16-A20 HydrophobicContact CE1-CB 4.13Å; Y16-A20 PolarHBondContact O-N 2.89Å; Y16-L60 HydrophobicContact CD2-CD1 4.48Å; Y16-L60 HydrophobicContact CE2-CD1 4.2Å; Y16-L126 HydrophobicContact CD1-CD2 3.81Å; Y16-L126 HydrophobicContact CD1-CG 4.42Å; Y16-L126 HydrophobicContact CG-CD2 4.22Å; Y16-L126 HydrophobicContact CG-CG 4.4Å; Y16-L126 PolarHBondContact N-O 2.83Å; Y16-I128 HydrophobicContact CD2-CG1 4.37Å; Y16-L131 HydrophobicContact CD1-CD2 4.17Å; Y16-L131 HydrophobicContact CD2-CD2 3.54Å; Y16-L131 HydrophobicContact CE1-CD2 3.92Å; Y16-L131 HydrophobicContact CE2-CD2 3.24Å; Y16-L131 HydrophobicContact CG-CD2 3.98Å; Y16-L131 VanDerWaalsContact CZ-CD2 3.42Å; Y16-E165 HydrophobicContact CD1-CB 3.82Å; Y16-E165 HydrophobicContact CD1-CG 3.67Å; Y16-E165 HydrophobicContact CE1-CB 3.98Å; Y16-E165 HydrophobicContact CE1-CG 4.22Å; Y16-F168 HydrophobicContact CE1-CB 4.5Å; Y16-F168 WeakPolarHBondContact OH-CB 3.42Å; Y16-V169 HydrophobicContact CD1-CG2 4.25Å; Y16-V169 HydrophobicContact CE1-CG2 3.63Å |
| 17 | M | 97.1 | Very high | 81.7 | Confident | 40 Ų | 40 | 68.3 Ų | 68.3 | 20% | 0.197 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -43.2 | -39.2 | 167.4 | -173.6 | 64.8 | 72.9 | 0 | 0 | 114 | P15 L19 A20 M21 Q162 E165 | P15-M17 PolarHBondContact O-N 3.22Å; M17-L19 PolarHBondContact O-N 3.26Å; M17-A20 PolarHBondContact O-N 3.11Å; M17-M21 HydrophobicContact CG-CE 3.8Å; M17-M21 HydrophobicContact CG-CG 4.26Å; M17-M21 HydrophobicContact CG-SD 4.25Å; M17-M21 WeakPolarHBondContact O-CB 3.35Å; M17-M21 VanDerWaalsContact O-CG 3.32Å; M17-M21 WeakPolarHBondContact O-CG 3.25Å; M17-M21 PolarHBondContact O-N 3.49Å; M17-M21 HydrophobicContact SD-CE 3.64Å; M17-M21 HydrophobicContact SD-CG 4.04Å; M17-M21 HydrophobicContact SD-SD 4.46Å; M17-Q162 HydrophobicContact CE-CB 3.73Å; M17-Q162 WeakPolarHBondContact CE-O 3.33Å; M17-E165 HydrophobicContact CB-CG 4.33Å; M17-E165 HydrophobicContact CE-CG 3.98Å; M17-E165 PolarHBondContact N-OE1 3.32Å; M17-E165 HydrophobicContact SD-CG 4.27Å |
| 18 | A | 97.7 | Very high | 84.5 | Confident | 41 Ų | 41 | 67.5 Ų | 67.5 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T14 P15 Y16 T22 F42 | T14-A18 HydrophobicContact CG2-CB 3.9Å; P15-A18 WeakPolarHBondContact O-CB 3.44Å; P15-A18 PolarHBondContact O-N 3.03Å; Y16-A18 PolarHBondContact O-N 2.9Å; Y16-A18 VanDerWaalsContact O-N 3.1Å; A18-T22 PolarHBondContact O-N 3.3Å; A18-T22 VanDerWaalsContact O-N 3.13Å; A18-T22 PolarHBondContact O-OG1 3.23Å; A18-F42 HydrophobicContact CB-CE2 4.25Å |
| 19 | L | 98.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 173.9 | 178.6 | 57.3 | 0 | 0 | 0 | 111.3 | Y16 M17 M21 T22 L23 F42 L60 I128 | Y16-L19 HydrophobicContact CD2-CB 4.38Å; Y16-L19 HydrophobicContact CD2-CD2 4.34Å; Y16-L19 HydrophobicContact CE2-CB 4.49Å; Y16-L19 HydrophobicContact CE2-CD2 4.02Å; Y16-L19 HydrophobicContact CE2-CG 4.37Å; Y16-L19 PolarHBondContact O-N 3.24Å; M17-L19 PolarHBondContact O-N 3.26Å; L19-M21 VanDerWaalsContact C-N 3.3Å; L19-M21 PolarHBondContact O-N 3.28Å; L19-T22 WeakPolarHBondContact O-CB 3.24Å; L19-T22 PolarHBondContact O-N 2.93Å; L19-T22 VanDerWaalsContact O-N 3.13Å; L19-L23 HydrophobicContact CD1-CD1 4.08Å; L19-L23 HydrophobicContact CD1-CD2 4.23Å; L19-L23 HydrophobicContact CD1-CG 3.88Å; L19-L23 HydrophobicContact CG-CD1 3.88Å; L19-L23 HydrophobicContact CG-CG 4.17Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 VanDerWaalsContact O-CG 3.22Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 2.55Å; L19-F42 HydrophobicContact CB-CE2 4.3Å; L19-F42 HydrophobicContact CB-CZ 3.81Å; L19-F42 HydrophobicContact CD1-CD1 4.45Å; L19-F42 HydrophobicContact CD1-CE1 3.75Å; L19-F42 HydrophobicContact CD1-CZ 3.86Å; L19-F42 HydrophobicContact CG-CZ 4.37Å; L19-L60 HydrophobicContact CD2-CB 3.84Å; L19-L60 HydrophobicContact CD2-CD1 3.82Å; L19-L60 HydrophobicContact CD2-CG 4.5Å; L19-I128 HydrophobicContact CB-CD1 3.9Å; L19-I128 HydrophobicContact CB-CG1 4.47Å; L19-I128 HydrophobicContact CD2-CD1 4.43Å |
| 20 | A | 98.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y16 M17 T24 E165 F168 | Y16-A20 HydrophobicContact CD1-CB 4.4Å; Y16-A20 HydrophobicContact CE1-CB 4.13Å; Y16-A20 PolarHBondContact O-N 2.89Å; M17-A20 PolarHBondContact O-N 3.11Å; A20-T24 PolarHBondContact O-N 3.31Å; A20-T24 PolarHBondContact O-OG1 2.86Å; A20-E165 HydrophobicContact CB-CG 4.11Å; A20-F168 HydrophobicContact CB-CD2 3.93Å; A20-F168 VanDerWaalsContact O-CE2 3.26Å; A20-F168 WeakPolarHBondContact O-CE2 3.42Å |
| 21 | M | 98.1 | Very high | 91.9 | Very high | 109 Ų | 109 | 59 Ų | 59 | 54% | 0.537 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.4 | -47.8 | 171.8 | -73.4 | -173.2 | 175.6 | 0 | 0 | 111.6 | M17 L19 L23 T24 V25 | M17-M21 HydrophobicContact CG-CE 3.8Å; M17-M21 HydrophobicContact CG-CG 4.26Å; M17-M21 HydrophobicContact CG-SD 4.25Å; M17-M21 WeakPolarHBondContact O-CB 3.35Å; M17-M21 VanDerWaalsContact O-CG 3.32Å; M17-M21 WeakPolarHBondContact O-CG 3.25Å; M17-M21 PolarHBondContact O-N 3.49Å; M17-M21 HydrophobicContact SD-CE 3.64Å; M17-M21 HydrophobicContact SD-CG 4.04Å; M17-M21 HydrophobicContact SD-SD 4.46Å; L19-M21 VanDerWaalsContact C-N 3.3Å; L19-M21 PolarHBondContact O-N 3.28Å; M21-L23 VanDerWaalsContact C-N 3.29Å; M21-L23 PolarHBondContact O-N 3.49Å; M21-T24 WeakPolarHBondContact O-CA 3.42Å; M21-T24 WeakPolarHBondContact O-CB 3.17Å; M21-T24 PolarHBondContact O-N 3.06Å; M21-V25 WeakPolarHBondContact O-CG2 3.18Å; M21-V25 PolarHBondContact O-N 3.29Å |
| 22 | T | 98.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.8 | -45 | 175 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | A18 L19 T24 V25 I26 I38 F42 | A18-T22 PolarHBondContact O-N 3.3Å; A18-T22 VanDerWaalsContact O-N 3.13Å; A18-T22 PolarHBondContact O-OG1 3.23Å; L19-T22 WeakPolarHBondContact O-CB 3.24Å; L19-T22 PolarHBondContact O-N 2.93Å; L19-T22 VanDerWaalsContact O-N 3.13Å; T22-T24 VanDerWaalsContact C-N 3.34Å; T22-T24 PolarHBondContact O-N 2.88Å; T22-V25 PolarHBondContact O-N 3.4Å; T22-I26 HydrophobicContact CG2-CD1 3.95Å; T22-I26 WeakPolarHBondContact O-CG1 3.49Å; T22-I26 PolarHBondContact O-N 3.14Å; T22-I38 HydrophobicContact CG2-CG2 3.87Å; T22-F42 HydrophobicContact CG2-CB 3.8Å; T22-F42 HydrophobicContact CG2-CD1 4.46Å; T22-F42 HydrophobicContact CG2-CD2 4.26Å; T22-F42 HydrophobicContact CG2-CG 3.91Å; T22-F42 VanDerWaalsContact OG1-CD2 3.25Å; T22-F42 WeakPolarHBondContact OG1-CD2 3.26Å |
| 23 | L | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66 | -33.3 | 176.5 | -66.2 | 175.3 | 0 | 0 | 0 | 112.9 | L19 M21 E27 F168 M177 I179 | L19-L23 HydrophobicContact CD1-CD1 4.08Å; L19-L23 HydrophobicContact CD1-CD2 4.23Å; L19-L23 HydrophobicContact CD1-CG 3.88Å; L19-L23 HydrophobicContact CG-CD1 3.88Å; L19-L23 HydrophobicContact CG-CG 4.17Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 VanDerWaalsContact O-CG 3.22Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 2.55Å; M21-L23 VanDerWaalsContact C-N 3.29Å; M21-L23 PolarHBondContact O-N 3.49Å; L23-E27 VanDerWaalsContact O-CB 3.29Å; L23-E27 WeakPolarHBondContact O-CB 3.29Å; L23-E27 PolarHBondContact O-N 3.21Å; L23-F168 HydrophobicContact CB-CD1 3.97Å; L23-F168 HydrophobicContact CB-CD2 4.46Å; L23-F168 HydrophobicContact CB-CE1 3.71Å; L23-F168 HydrophobicContact CB-CE2 4.23Å; L23-F168 HydrophobicContact CB-CG 4.34Å; L23-F168 HydrophobicContact CB-CZ 3.85Å; L23-F168 HydrophobicContact CD1-CB 4.33Å; L23-F168 HydrophobicContact CD1-CD1 3.98Å; L23-F168 HydrophobicContact CD1-CG 4.07Å; L23-M177 HydrophobicContact CD1-CE 3.53Å; L23-I179 HydrophobicContact CB-CG2 4.31Å; L23-I179 HydrophobicContact CD2-CD1 3.63Å; L23-I179 HydrophobicContact CD2-CG2 4.31Å |
| 24 | T | 97 | Very high | 95 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 20% | 0.202 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 172.8 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | A20 M21 T22 N28 F168 | A20-T24 PolarHBondContact O-N 3.31Å; A20-T24 PolarHBondContact O-OG1 2.86Å; M21-T24 WeakPolarHBondContact O-CA 3.42Å; M21-T24 WeakPolarHBondContact O-CB 3.17Å; M21-T24 PolarHBondContact O-N 3.06Å; T22-T24 VanDerWaalsContact C-N 3.34Å; T22-T24 PolarHBondContact O-N 2.88Å; T24-N28 PolarHBondContact O-N 3.09Å; T24-N28 PolarHBondContact O-ND2 2.98Å; T24-F168 VanDerWaalsContact OG1-CE2 3.26Å; T24-F168 WeakPolarHBondContact OG1-CE2 3.38Å |
| 25 | V | 97.5 | Very high | 95 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | M21 T22 E27 N28 T29 I38 | M21-V25 WeakPolarHBondContact O-CG2 3.18Å; M21-V25 PolarHBondContact O-N 3.29Å; T22-V25 PolarHBondContact O-N 3.4Å; V25-E27 PolarHBondContact O-N 2.87Å; V25-N28 CarbonylContact O-C 3.38Å; V25-N28 PolarHBondContact O-N 2.68Å; V25-N28 VanDerWaalsContact O-N 3.17Å; V25-T29 WeakPolarHBondContact O-CB 3.48Å; V25-T29 PolarHBondContact O-N 3.24Å; V25-T29 VanDerWaalsContact O-N 3.08Å; V25-T29 PolarHBondContact O-OG1 2.91Å; V25-I38 HydrophobicContact CG1-CD1 3.65Å; V25-I38 HydrophobicContact CG1-CG1 4.41Å |
| 26 | I | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 176.3 | -71.1 | 170.8 | 0 | 0 | 0 | 111.4 | T22 N28 T29 I35 I38 L39 I179 L181 | T22-I26 HydrophobicContact CG2-CD1 3.95Å; T22-I26 WeakPolarHBondContact O-CG1 3.49Å; T22-I26 PolarHBondContact O-N 3.14Å; I26-N28 PolarHBondContact O-N 3.18Å; I26-N28 VanDerWaalsContact O-N 3.15Å; I26-T29 PolarHBondContact O-N 3.26Å; I26-I35 HydrophobicContact CG1-CG2 4.28Å; I26-I35 HydrophobicContact CG2-CD1 4.38Å; I26-I35 HydrophobicContact CG2-CG1 4.22Å; I26-I35 HydrophobicContact CG2-CG2 3.91Å; I26-I38 HydrophobicContact CD1-CG2 4.28Å; I26-I38 HydrophobicContact CG1-CB 4.42Å; I26-I38 HydrophobicContact CG1-CG2 3.88Å; I26-L39 HydrophobicContact CD1-CB 4.11Å; I26-L39 HydrophobicContact CD1-CD1 4.25Å; I26-I179 HydrophobicContact CG2-CB 4.43Å; I26-L181 HydrophobicContact CG2-CB 4.25Å |
| 27 | E | 93 | Very high | 95.1 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.1 | -31.7 | 177.7 | 173.9 | 174.3 | -138.2 | 0 | 0 | 113.4 | L23 V25 R167 R171 | L23-E27 VanDerWaalsContact O-CB 3.29Å; L23-E27 WeakPolarHBondContact O-CB 3.29Å; L23-E27 PolarHBondContact O-N 3.21Å; V25-E27 PolarHBondContact O-N 2.87Å; E27-R167 IonicContact OE2-CZ 3.38Å; E27-R167 IonicContact OE2-NH1 3.76Å; E27-R167 PolarHBondContact OE2-NH1 2.91Å; E27-R171 IonicContact OE1-CZ 3.87Å; E27-R171 IonicContact OE1-NH1 2.83Å; E27-R171 PolarHBondContact OE1-NH1 3.44Å; E27-R171 IonicContact OE1-NH2 3.31Å; E27-R171 PolarHBondContact OE1-NH2 3.39Å; E27-R171 IonicContact OE2-NH1 2.95Å |
| 28 | N | 92.5 | Very high | 95.2 | Very high | 117 Ų | 117 | 50.2 Ų | 50.2 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 3.3 | 179.4 | -66.3 | -73.9 | 0 | 0 | 0 | 113.5 | T24 V25 I26 P30 | T24-N28 PolarHBondContact O-N 3.09Å; T24-N28 PolarHBondContact O-ND2 2.98Å; V25-N28 CarbonylContact O-C 3.38Å; V25-N28 PolarHBondContact O-N 2.68Å; V25-N28 VanDerWaalsContact O-N 3.17Å; I26-N28 PolarHBondContact O-N 3.18Å; I26-N28 VanDerWaalsContact O-N 3.15Å; N28-P30 WeakPolarHBondContact O-CD 3.37Å |
| 29 | T | 92.9 | Very high | 95.2 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | trans | -100.6 | 113.6 | -178.3 | -63 | 0 | 0 | 0 | 0 | 109.9 | V25 I26 E34 I35 I38 | V25-T29 WeakPolarHBondContact O-CB 3.48Å; V25-T29 PolarHBondContact O-N 3.24Å; V25-T29 VanDerWaalsContact O-N 3.08Å; V25-T29 PolarHBondContact O-OG1 2.91Å; I26-T29 PolarHBondContact O-N 3.26Å; T29-E34 HydrophobicContact CG2-CB 3.65Å; T29-E34 HydrophobicContact CG2-CG 3.55Å; T29-I35 HydrophobicContact CG2-CG1 3.79Å; T29-I35 WeakPolarHBondContact O-CD1 3.45Å; T29-I38 HydrophobicContact CG2-CD1 4.21Å | ||
| 30 | P | 84.1 | Confident | 95.2 | Very high | 107 Ų | 107 | 48.5 Ų | 48.5 | 70% | 0.695 | 26% | 0.255 | S | S | * | . | trans | -80.1 | -22.6 | 178.5 | 31.5 | -35.4 | 0 | 0 | 0 | 113.3 | N28 A547 | N28-P30 WeakPolarHBondContact O-CD 3.37Å; P30-A547 HydrophobicContact CB-CB 4.23Å | ||
| 31 | S | 89.4 | Confident | 95.2 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 40% | 0.399 | 27% | 0.27 | S | S | . | . | trans | -84.2 | 116.6 | -177.3 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L33 E34 I35 | S31-L33 VanDerWaalsContact C-N 3.31Å; S31-L33 PolarHBondContact O-N 3.35Å; S31-E34 WeakPolarHBondContact O-CA 3.21Å; S31-E34 WeakPolarHBondContact O-CB 3.43Å; S31-E34 PolarHBondContact O-N 2.69Å; S31-E34 PolarHBondContact OG-N 3.13Å; S31-I35 PolarHBondContact O-N 3.44Å | ||
| 32 | R | 88.6 | Confident | 95.2 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 21% | 0.211 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.7 | -42.9 | 175.6 | -175.4 | -179.7 | 175.8 | -113.9 | -1.9 | 113.4 | E34 I35 I36 S185 E511 E513 | R32-E34 VanDerWaalsContact C-N 3.26Å; R32-E34 PolarHBondContact O-N 3.42Å; R32-I35 WeakPolarHBondContact O-CB 3.47Å; R32-I35 PolarHBondContact O-N 3.39Å; R32-I36 HydrophobicContact CG-CD1 4.16Å; R32-I36 WeakPolarHBondContact O-CG1 3.46Å; R32-I36 PolarHBondContact O-N 3.13Å; R32-S185 WeakPolarHBondContact CG-OG 3.44Å; R32-S185 PolarHBondContact NE-OG 2.83Å; R32-E511 VanDerWaalsContact CZ-O 3.26Å; R32-E511 PolarHBondContact NH1-O 3.41Å; R32-E513 IonicContact CZ-OE1 3.11Å; R32-E513 IonicContact NE-OE1 3.68Å; R32-E513 PolarHBondContact NE-OE1 3.2Å; R32-E513 VanDerWaalsContact NE-OE1 3.12Å; R32-E513 IonicContact NE-OE2 3.37Å; R32-E513 PolarHBondContact NE-OE2 3.08Å; R32-E513 IonicContact NH2-OE1 3.52Å; R32-E513 PolarHBondContact NH2-OE1 2.84Å |
| 33 | L | 93.9 | Very high | 95.3 | Very high | 132 Ų | 132 | 45.9 Ų | 45.9 | 69% | 0.691 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.4 | -34.5 | 177.4 | -66.1 | 177.9 | 0 | 0 | 0 | 111.9 | S31 R37 | S31-L33 VanDerWaalsContact C-N 3.31Å; S31-L33 PolarHBondContact O-N 3.35Å; L33-R37 WeakPolarHBondContact O-CB 3.43Å; L33-R37 PolarHBondContact O-N 3.07Å |
| 34 | E | 96 | Very high | 95.2 | Very high | 69 Ų | 69 | 49 Ų | 49 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -74.6 | -40.2 | 177.4 | -176.6 | 62.7 | -176.9 | 0 | 0 | 111.5 | T29 S31 R32 I36 R37 I38 | T29-E34 HydrophobicContact CG2-CB 3.65Å; T29-E34 HydrophobicContact CG2-CG 3.55Å; S31-E34 WeakPolarHBondContact O-CA 3.21Å; S31-E34 WeakPolarHBondContact O-CB 3.43Å; S31-E34 PolarHBondContact O-N 2.69Å; S31-E34 PolarHBondContact OG-N 3.13Å; R32-E34 VanDerWaalsContact C-N 3.26Å; R32-E34 PolarHBondContact O-N 3.42Å; E34-I36 VanDerWaalsContact C-N 3.31Å; E34-I36 PolarHBondContact O-N 2.88Å; E34-R37 WeakPolarHBondContact O-CB 3.38Å; E34-R37 PolarHBondContact O-N 2.9Å; E34-R37 IonicContact OE1-CZ 2.74Å; E34-R37 IonicContact OE1-NE 3.55Å; E34-R37 PolarHBondContact OE1-NE 3.18Å; E34-R37 IonicContact OE1-NH2 3.56Å; E34-R37 PolarHBondContact OE1-NH2 3.1Å; E34-R37 IonicContact OE2-CZ 2.69Å; E34-R37 IonicContact OE2-NE 3.46Å; E34-R37 PolarHBondContact OE2-NE 3.31Å; E34-R37 IonicContact OE2-NH2 3.85Å; E34-I38 HydrophobicContact CG-CD1 3.95Å; E34-I38 WeakPolarHBondContact O-CB 3.28Å; E34-I38 WeakPolarHBondContact O-CD1 3.32Å; E34-I38 VanDerWaalsContact O-CG1 3.24Å; E34-I38 WeakPolarHBondContact O-CG1 3.39Å; E34-I38 PolarHBondContact O-N 2.83Å |
| 35 | I | 95.7 | Very high | 95.2 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54 | -49.1 | 168.7 | -67.9 | 173.4 | 0 | 0 | 0 | 110.3 | I26 T29 S31 R32 R37 I38 L39 L181 | I26-I35 HydrophobicContact CG1-CG2 4.28Å; I26-I35 HydrophobicContact CG2-CD1 4.38Å; I26-I35 HydrophobicContact CG2-CG1 4.22Å; I26-I35 HydrophobicContact CG2-CG2 3.91Å; T29-I35 HydrophobicContact CG2-CG1 3.79Å; T29-I35 WeakPolarHBondContact O-CD1 3.45Å; S31-I35 PolarHBondContact O-N 3.44Å; R32-I35 WeakPolarHBondContact O-CB 3.47Å; R32-I35 PolarHBondContact O-N 3.39Å; I35-R37 VanDerWaalsContact C-N 3.32Å; I35-R37 PolarHBondContact O-N 2.81Å; I35-I38 PolarHBondContact O-N 3.4Å; I35-L39 WeakPolarHBondContact O-CB 3.38Å; I35-L39 PolarHBondContact O-N 3.05Å; I35-L181 HydrophobicContact CG2-CD1 3.7Å |
| 36 | I | 97.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 179 | -71.3 | 166.2 | 0 | 0 | 0 | 110.8 | R32 E34 C40 I188 S189 | R32-I36 HydrophobicContact CG-CD1 4.16Å; R32-I36 WeakPolarHBondContact O-CG1 3.46Å; R32-I36 PolarHBondContact O-N 3.13Å; E34-I36 VanDerWaalsContact C-N 3.31Å; E34-I36 PolarHBondContact O-N 2.88Å; I36-C40 WeakPolarHBondContact O-CB 3.4Å; I36-C40 PolarHBondContact O-N 2.65Å; I36-I188 HydrophobicContact CD1-CB 4.41Å; I36-I188 HydrophobicContact CD1-CD1 4.1Å; I36-I188 HydrophobicContact CD1-CG2 4.25Å; I36-I188 HydrophobicContact CG2-CB 4.49Å; I36-I188 HydrophobicContact CG2-CG2 3.83Å; I36-S189 WeakPolarHBondContact CA-OG 3.29Å; I36-S189 PolarHBondContact O-OG 2.88Å |
| 37 | R | 98.1 | Very high | 95.3 | Very high | 126 Ų | 126 | 47.6 Ų | 47.6 | 48% | 0.475 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 177.7 | -168.2 | -169.5 | 70.6 | 77.9 | 3.2 | 112.2 | L33 E34 I35 N41 | L33-R37 WeakPolarHBondContact O-CB 3.43Å; L33-R37 PolarHBondContact O-N 3.07Å; E34-R37 WeakPolarHBondContact O-CB 3.38Å; E34-R37 PolarHBondContact O-N 2.9Å; E34-R37 IonicContact OE1-CZ 2.74Å; E34-R37 IonicContact OE1-NE 3.55Å; E34-R37 PolarHBondContact OE1-NE 3.18Å; E34-R37 IonicContact OE1-NH2 3.56Å; E34-R37 PolarHBondContact OE1-NH2 3.1Å; E34-R37 IonicContact OE2-CZ 2.69Å; E34-R37 IonicContact OE2-NE 3.46Å; E34-R37 PolarHBondContact OE2-NE 3.31Å; E34-R37 IonicContact OE2-NH2 3.85Å; I35-R37 VanDerWaalsContact C-N 3.32Å; I35-R37 PolarHBondContact O-N 2.81Å; R37-N41 PolarHBondContact O-N 3.47Å; R37-N41 VanDerWaalsContact O-N 3.11Å; R37-N41 PolarHBondContact O-ND2 2.78Å; R37-N41 VanDerWaalsContact O-ND2 3.08Å |
| 38 | I | 98.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.108 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 178 | -69.7 | 157.8 | 0 | 0 | 0 | 110.1 | T22 V25 I26 T29 E34 I35 N41 F42 | T22-I38 HydrophobicContact CG2-CG2 3.87Å; V25-I38 HydrophobicContact CG1-CD1 3.65Å; V25-I38 HydrophobicContact CG1-CG1 4.41Å; I26-I38 HydrophobicContact CD1-CG2 4.28Å; I26-I38 HydrophobicContact CG1-CB 4.42Å; I26-I38 HydrophobicContact CG1-CG2 3.88Å; T29-I38 HydrophobicContact CG2-CD1 4.21Å; E34-I38 HydrophobicContact CG-CD1 3.95Å; E34-I38 WeakPolarHBondContact O-CB 3.28Å; E34-I38 WeakPolarHBondContact O-CD1 3.32Å; E34-I38 VanDerWaalsContact O-CG1 3.24Å; E34-I38 WeakPolarHBondContact O-CG1 3.39Å; E34-I38 PolarHBondContact O-N 2.83Å; I35-I38 PolarHBondContact O-N 3.4Å; I38-N41 PolarHBondContact O-N 2.81Å; I38-F42 PolarHBondContact O-N 2.93Å |
| 39 | L | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.1 | -37.9 | -176.7 | -174.1 | 61.3 | 0 | 0 | 0 | 112.3 | I26 I35 F42 F43 L181 L186 | I26-L39 HydrophobicContact CD1-CB 4.11Å; I26-L39 HydrophobicContact CD1-CD1 4.25Å; I35-L39 WeakPolarHBondContact O-CB 3.38Å; I35-L39 PolarHBondContact O-N 3.05Å; L39-F42 HydrophobicContact CD1-CD1 4.37Å; L39-F42 PolarHBondContact O-N 3.09Å; L39-F43 HydrophobicContact CD1-CD1 4.32Å; L39-F43 HydrophobicContact CD1-CD2 4.4Å; L39-F43 HydrophobicContact CD1-CE1 3.83Å; L39-F43 HydrophobicContact CD1-CE2 3.94Å; L39-F43 HydrophobicContact CD1-CZ 3.63Å; L39-F43 HydrophobicContact CD2-CE2 3.88Å; L39-F43 HydrophobicContact CD2-CZ 4.05Å; L39-F43 HydrophobicContact CG-CD2 4.02Å; L39-F43 HydrophobicContact CG-CE1 4.41Å; L39-F43 HydrophobicContact CG-CE2 3.6Å; L39-F43 HydrophobicContact CG-CZ 3.82Å; L39-F43 WeakPolarHBondContact O-CG 3.21Å; L39-F43 PolarHBondContact O-N 3.35Å; L39-L181 HydrophobicContact CD2-CD1 3.78Å; L39-L181 HydrophobicContact CD2-CD2 3.7Å; L39-L181 HydrophobicContact CD2-CG 4.4Å; L39-L186 HydrophobicContact CD2-CB 4.2Å; L39-L186 HydrophobicContact CD2-CD1 4.34Å; L39-L186 HydrophobicContact CD2-CG 4.22Å |
| 40 | C | 98.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.8 | -48 | 172.3 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | I36 F42 F43 R44 H192 | I36-C40 WeakPolarHBondContact O-CB 3.4Å; I36-C40 PolarHBondContact O-N 2.65Å; C40-F42 VanDerWaalsContact C-N 3.34Å; C40-F42 PolarHBondContact O-N 3.09Å; C40-F43 PolarHBondContact O-N 3Å; C40-R44 WeakPolarHBondContact O-CG 3.31Å; C40-R44 PolarHBondContact O-N 3.2Å; C40-H192 HydrophobicContact CB-CB 4.43Å |
| 41 | N | 98.3 | Very high | 96.1 | Very high | 59 Ų | 59 | 46 Ų | 46 | 32% | 0.316 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.9 | -37.7 | 178.9 | -73 | -34.2 | 0 | 0 | 0 | 112.3 | R37 I38 S45 | R37-N41 PolarHBondContact O-N 3.47Å; R37-N41 VanDerWaalsContact O-N 3.11Å; R37-N41 PolarHBondContact O-ND2 2.78Å; R37-N41 VanDerWaalsContact O-ND2 3.08Å; I38-N41 PolarHBondContact O-N 2.81Å; N41-S45 PolarHBondContact O-N 2.85Å; N41-S45 VanDerWaalsContact O-N 3.15Å; N41-S45 PolarHBondContact O-OG 3.12Å |
| 42 | F | 98.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -51.3 | 172.4 | 175.4 | -99.2 | 0 | 0 | 0 | 111.3 | A18 L19 T22 I38 L39 C40 R44 S45 I46 C57 I128 | A18-F42 HydrophobicContact CB-CE2 4.25Å; L19-F42 HydrophobicContact CB-CE2 4.3Å; L19-F42 HydrophobicContact CB-CZ 3.81Å; L19-F42 HydrophobicContact CD1-CD1 4.45Å; L19-F42 HydrophobicContact CD1-CE1 3.75Å; L19-F42 HydrophobicContact CD1-CZ 3.86Å; L19-F42 HydrophobicContact CG-CZ 4.37Å; T22-F42 HydrophobicContact CG2-CB 3.8Å; T22-F42 HydrophobicContact CG2-CD1 4.46Å; T22-F42 HydrophobicContact CG2-CD2 4.26Å; T22-F42 HydrophobicContact CG2-CG 3.91Å; T22-F42 VanDerWaalsContact OG1-CD2 3.25Å; T22-F42 WeakPolarHBondContact OG1-CD2 3.26Å; I38-F42 PolarHBondContact O-N 2.93Å; L39-F42 HydrophobicContact CD1-CD1 4.37Å; L39-F42 PolarHBondContact O-N 3.09Å; C40-F42 VanDerWaalsContact C-N 3.34Å; C40-F42 PolarHBondContact O-N 3.09Å; F42-R44 PolarHBondContact O-N 3.41Å; F42-S45 WeakPolarHBondContact O-CB 3.47Å; F42-S45 PolarHBondContact O-N 2.83Å; F42-S45 VanDerWaalsContact O-N 3.08Å; F42-I46 HydrophobicContact CD1-CG1 4.28Å; F42-I46 HydrophobicContact CE1-CD1 4.36Å; F42-I46 HydrophobicContact CE1-CG1 3.78Å; F42-I46 HydrophobicContact CE2-CD1 3.97Å; F42-I46 HydrophobicContact CE2-CG1 4.1Å; F42-I46 HydrophobicContact CZ-CD1 3.74Å; F42-I46 HydrophobicContact CZ-CG1 3.67Å; F42-I46 WeakPolarHBondContact O-CG1 3.18Å; F42-I46 PolarHBondContact O-N 3.09Å; F42-C57 HydrophobicContact CE1-CB 3.94Å; F42-I128 HydrophobicContact CZ-CD1 4.17Å |
| 43 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 178.8 | -71.5 | -26.1 | 0 | 0 | 0 | 113.1 | L39 C40 S45 I46 I47 L54 C57 I58 L186 L190 A193 | L39-F43 HydrophobicContact CD1-CD1 4.32Å; L39-F43 HydrophobicContact CD1-CD2 4.4Å; L39-F43 HydrophobicContact CD1-CE1 3.83Å; L39-F43 HydrophobicContact CD1-CE2 3.94Å; L39-F43 HydrophobicContact CD1-CZ 3.63Å; L39-F43 HydrophobicContact CD2-CE2 3.88Å; L39-F43 HydrophobicContact CD2-CZ 4.05Å; L39-F43 HydrophobicContact CG-CD2 4.02Å; L39-F43 HydrophobicContact CG-CE1 4.41Å; L39-F43 HydrophobicContact CG-CE2 3.6Å; L39-F43 HydrophobicContact CG-CZ 3.82Å; L39-F43 WeakPolarHBondContact O-CG 3.21Å; L39-F43 PolarHBondContact O-N 3.35Å; C40-F43 PolarHBondContact O-N 3Å; F43-S45 VanDerWaalsContact C-N 3.29Å; F43-S45 PolarHBondContact O-N 2.85Å; F43-I46 PolarHBondContact O-N 2.9Å; F43-I46 VanDerWaalsContact O-N 3.14Å; F43-I47 VanDerWaalsContact O-CG1 3.27Å; F43-I47 WeakPolarHBondContact O-CG1 3.22Å; F43-I47 PolarHBondContact O-N 3.39Å; F43-L54 HydrophobicContact CB-CD1 4.07Å; F43-L54 HydrophobicContact CD1-CD1 3.63Å; F43-L54 HydrophobicContact CE1-CD1 4.29Å; F43-L54 HydrophobicContact CG-CD1 4Å; F43-C57 HydrophobicContact CE1-CB 4.14Å; F43-I58 HydrophobicContact CE1-CG1 4.03Å; F43-I58 HydrophobicContact CZ-CG1 3.81Å; F43-L186 HydrophobicContact CE2-CG 4.13Å; F43-L186 HydrophobicContact CZ-CD1 4.05Å; F43-L186 HydrophobicContact CZ-CG 4.11Å; F43-L190 HydrophobicContact CD2-CB 4.24Å; F43-L190 HydrophobicContact CD2-CD1 3.96Å; F43-L190 HydrophobicContact CE2-CB 4.19Å; F43-L190 HydrophobicContact CE2-CD1 4.23Å; F43-L190 HydrophobicContact CG-CD1 4.39Å; F43-A193 HydrophobicContact CB-CB 3.7Å |
| 44 | R | 97.4 | Very high | 97 | Very high | 66 Ų | 66 | 37.8 Ų | 37.8 | 25% | 0.249 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.3 | -45 | 172 | -73.8 | 178.6 | 71.1 | -156 | 5.8 | 112 | C40 F42 I46 I47 C48 A193 D200 | C40-R44 WeakPolarHBondContact O-CG 3.31Å; C40-R44 PolarHBondContact O-N 3.2Å; F42-R44 PolarHBondContact O-N 3.41Å; R44-I46 VanDerWaalsContact C-N 3.32Å; R44-I46 PolarHBondContact O-N 3.48Å; R44-I47 PolarHBondContact O-N 3.43Å; R44-C48 PolarHBondContact O-N 3.07Å; R44-C48 PolarHBondContact O-SG 2.9Å; R44-C48 VanDerWaalsContact O-SG 3.35Å; R44-A193 HydrophobicContact CG-CB 3.76Å; R44-D200 IonicContact CZ-OD2 2.71Å; R44-D200 IonicContact NE-OD2 2.67Å; R44-D200 IonicContact NH2-OD1 3.76Å; R44-D200 IonicContact NH2-OD2 3.36Å; R44-D200 PolarHBondContact NH2-OD2 3.08Å |
| 45 | S | 96.7 | Very high | 97.1 | Very high | 59 Ų | 59 | 36 Ų | 36 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 177.9 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | N41 F42 F43 L49 | N41-S45 PolarHBondContact O-N 2.85Å; N41-S45 VanDerWaalsContact O-N 3.15Å; N41-S45 PolarHBondContact O-OG 3.12Å; F42-S45 WeakPolarHBondContact O-CB 3.47Å; F42-S45 PolarHBondContact O-N 2.83Å; F42-S45 VanDerWaalsContact O-N 3.08Å; F43-S45 VanDerWaalsContact C-N 3.29Å; F43-S45 PolarHBondContact O-N 2.85Å; S45-L49 VanDerWaalsContact O-CB 3.29Å; S45-L49 WeakPolarHBondContact O-CB 3.41Å; S45-L49 VanDerWaalsContact O-CG 3.3Å; S45-L49 WeakPolarHBondContact O-CG 3.34Å; S45-L49 PolarHBondContact O-N 2.69Å |
| 46 | I | 97.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.5 | -43.4 | 176.6 | -57.3 | -61 | 0 | 0 | 0 | 111.7 | T14 F42 F43 R44 C48 L49 S50 P51 D53 L54 I128 | T14-I46 HydrophobicContact CG2-CD1 3.8Å; F42-I46 HydrophobicContact CD1-CG1 4.28Å; F42-I46 HydrophobicContact CE1-CD1 4.36Å; F42-I46 HydrophobicContact CE1-CG1 3.78Å; F42-I46 HydrophobicContact CE2-CD1 3.97Å; F42-I46 HydrophobicContact CE2-CG1 4.1Å; F42-I46 HydrophobicContact CZ-CD1 3.74Å; F42-I46 HydrophobicContact CZ-CG1 3.67Å; F42-I46 WeakPolarHBondContact O-CG1 3.18Å; F42-I46 PolarHBondContact O-N 3.09Å; F43-I46 PolarHBondContact O-N 2.9Å; F43-I46 VanDerWaalsContact O-N 3.14Å; R44-I46 VanDerWaalsContact C-N 3.32Å; R44-I46 PolarHBondContact O-N 3.48Å; I46-C48 VanDerWaalsContact C-N 3.32Å; I46-C48 PolarHBondContact O-N 2.71Å; I46-L49 PolarHBondContact O-N 2.74Å; I46-S50 WeakPolarHBondContact CG2-O 3.45Å; I46-S50 CarbonylContact O-C 3.56Å; I46-S50 WeakPolarHBondContact O-CA 3.13Å; I46-S50 PolarHBondContact O-N 3.27Å; I46-P51 VanDerWaalsContact O-N 3.13Å; I46-D53 HydrophobicContact CG2-CB 4.12Å; I46-L54 HydrophobicContact CB-CD1 4.38Å; I46-L54 HydrophobicContact CG2-CB 3.86Å; I46-L54 HydrophobicContact CG2-CD1 4.31Å; I46-I128 HydrophobicContact CD1-CD1 4.5Å |
| 47 | I | 96.7 | Very high | 97.3 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 9% | 0.087 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57 | -46.6 | 176.9 | -65.5 | 158.7 | 0 | 0 | 0 | 110.3 | F43 R44 P51 L54 A193 F194 T197 L241 | F43-I47 VanDerWaalsContact O-CG1 3.27Å; F43-I47 WeakPolarHBondContact O-CG1 3.22Å; F43-I47 PolarHBondContact O-N 3.39Å; R44-I47 PolarHBondContact O-N 3.43Å; I47-P51 WeakPolarHBondContact O-CD 3.27Å; I47-L54 HydrophobicContact CD1-CD2 4.29Å; I47-L54 HydrophobicContact CG1-CD1 4.37Å; I47-L54 HydrophobicContact CG1-CD2 3.63Å; I47-A193 HydrophobicContact CD1-CB 4.03Å; I47-F194 HydrophobicContact CD1-CD1 4.08Å; I47-F194 HydrophobicContact CD1-CD2 4.17Å; I47-F194 HydrophobicContact CD1-CE1 4.06Å; I47-F194 HydrophobicContact CD1-CE2 4.17Å; I47-F194 HydrophobicContact CD1-CG 4.13Å; I47-F194 HydrophobicContact CD1-CZ 4.11Å; I47-F194 HydrophobicContact CG1-CE1 4.3Å; I47-F194 HydrophobicContact CG1-CZ 4.27Å; I47-F194 HydrophobicContact CG2-CE1 4.48Å; I47-T197 HydrophobicContact CG2-CG2 3.78Å; I47-L241 HydrophobicContact CG2-CD2 4.1Å |
| 48 | C | 93.9 | Very high | 97.3 | Very high | 83 Ų | 83 | 29.7 Ų | 29.7 | 56% | 0.561 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -75.4 | -32.5 | -176.3 | -64.6 | 0 | 0 | 0 | 0 | 114.4 | R44 I46 | R44-C48 PolarHBondContact O-N 3.07Å; R44-C48 PolarHBondContact O-SG 2.9Å; R44-C48 VanDerWaalsContact O-SG 3.35Å; I46-C48 VanDerWaalsContact C-N 3.32Å; I46-C48 PolarHBondContact O-N 2.71Å |
| 49 | L | 94.9 | Very high | 97.3 | Very high | 134 Ų | 134 | 28.7 Ų | 28.7 | 70% | 0.702 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -105.4 | -31.7 | -171.5 | -59.5 | 175 | 0 | 0 | 0 | 114.2 | S45 I46 | S45-L49 VanDerWaalsContact O-CB 3.29Å; S45-L49 WeakPolarHBondContact O-CB 3.41Å; S45-L49 VanDerWaalsContact O-CG 3.3Å; S45-L49 WeakPolarHBondContact O-CG 3.34Å; S45-L49 PolarHBondContact O-N 2.69Å; I46-L49 PolarHBondContact O-N 2.74Å |
| 50 | S | 95.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -157.1 | 62.6 | -171.5 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | F12 T14 I46 H52 D53 | F12-S50 VanDerWaalsContact O-CB 3.31Å; F12-S50 WeakPolarHBondContact O-CB 3.33Å; T14-S50 PolarHBondContact OG1-OG 2.83Å; I46-S50 WeakPolarHBondContact CG2-O 3.45Å; I46-S50 CarbonylContact O-C 3.56Å; I46-S50 WeakPolarHBondContact O-CA 3.13Å; I46-S50 PolarHBondContact O-N 3.27Å; S50-H52 PolarHBondContact O-N 3.32Å; S50-D53 PolarHBondContact O-N 3.04Å | ||
| 51 | P | 95.9 | Very high | 97.2 | Very high | 42 Ų | 42 | 28.8 Ų | 28.8 | 27% | 0.273 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -58.3 | -28.4 | -169.9 | 19.2 | -32.1 | 0 | 0 | 0 | 113.8 | I46 I47 D53 L54 L241 | I46-P51 VanDerWaalsContact O-N 3.13Å; I47-P51 WeakPolarHBondContact O-CD 3.27Å; P51-D53 PolarHBondContact O-N 2.88Å; P51-L54 VanDerWaalsContact O-CB 3.25Å; P51-L54 WeakPolarHBondContact O-CB 3.17Å; P51-L54 PolarHBondContact O-N 2.75Å; P51-L54 VanDerWaalsContact O-N 3.08Å; P51-L241 HydrophobicContact CB-CD1 4.13Å; P51-L241 HydrophobicContact CB-CD2 3.66Å |
| 52 | H | 95.1 | Very high | 97 | Very high | 73 Ų | 73 | 27.4 Ų | 27.4 | 34% | 0.338 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -62.3 | -22.7 | 174.3 | 70.9 | -81.6 | 0 | 0 | 0 | 114.8 | Y11 S50 | Y11-H52 AromaticContact CD1-ND1 3.93Å; S50-H52 PolarHBondContact O-N 3.32Å |
| 53 | D | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -85 | -10.9 | 174.8 | -85.2 | -43.3 | 0 | 0 | 0 | 112.8 | T14 I46 S50 P51 L55 P56 C57 I128 S129 | T14-D53 PolarHBondContact N-OD2 2.84Å; I46-D53 HydrophobicContact CG2-CB 4.12Å; S50-D53 PolarHBondContact O-N 3.04Å; P51-D53 PolarHBondContact O-N 2.88Å; D53-L55 PolarHBondContact O-N 2.76Å; D53-P56 WeakPolarHBondContact O-CB 3.29Å; D53-P56 WeakPolarHBondContact O-CD 3.27Å; D53-C57 PolarHBondContact O-N 3.48Å; D53-C57 PolarHBondContact O-SG 3.46Å; D53-I128 HydrophobicContact CB-CB 4.41Å; D53-I128 HydrophobicContact CB-CG2 4.47Å; D53-S129 WeakPolarHBondContact OD1-CB 3.45Å; D53-S129 PolarHBondContact OD1-N 3.13Å; D53-S129 PolarHBondContact OD1-OG 3.15Å |
| 54 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | -174.6 | -178.3 | 63.5 | 0 | 0 | 0 | 113 | F43 I46 I47 P51 C57 I58 L190 F194 V237 L241 | F43-L54 HydrophobicContact CB-CD1 4.07Å; F43-L54 HydrophobicContact CD1-CD1 3.63Å; F43-L54 HydrophobicContact CE1-CD1 4.29Å; F43-L54 HydrophobicContact CG-CD1 4Å; I46-L54 HydrophobicContact CB-CD1 4.38Å; I46-L54 HydrophobicContact CG2-CB 3.86Å; I46-L54 HydrophobicContact CG2-CD1 4.31Å; I47-L54 HydrophobicContact CD1-CD2 4.29Å; I47-L54 HydrophobicContact CG1-CD1 4.37Å; I47-L54 HydrophobicContact CG1-CD2 3.63Å; P51-L54 VanDerWaalsContact O-CB 3.25Å; P51-L54 WeakPolarHBondContact O-CB 3.17Å; P51-L54 PolarHBondContact O-N 2.75Å; P51-L54 VanDerWaalsContact O-N 3.08Å; L54-C57 WeakPolarHBondContact O-CA 3.48Å; L54-C57 VanDerWaalsContact O-CB 3.28Å; L54-C57 WeakPolarHBondContact O-CB 3.29Å; L54-C57 PolarHBondContact O-N 2.96Å; L54-C57 VanDerWaalsContact O-N 3.08Å; L54-I58 HydrophobicContact CD1-CD1 4.41Å; L54-I58 HydrophobicContact CG-CD1 4.06Å; L54-I58 WeakPolarHBondContact O-CG1 3.26Å; L54-I58 PolarHBondContact O-N 3.43Å; L54-L190 HydrophobicContact CD1-CD1 4.34Å; L54-L190 HydrophobicContact CD2-CD1 4.35Å; L54-F194 HydrophobicContact CD2-CE2 3.86Å; L54-F194 HydrophobicContact CD2-CZ 3.63Å; L54-V237 HydrophobicContact CD2-CG1 3.99Å; L54-V237 HydrophobicContact CG-CG1 4.39Å; L54-L241 HydrophobicContact CD2-CD2 4.43Å |
| 55 | L | 98.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 28.3 Ų | 28.3 | 17% | 0.168 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 179.2 | 177.3 | 68.2 | 0 | 0 | 0 | 111.9 | D53 C57 I58 Y59 Y233 D234 V237 | D53-L55 PolarHBondContact O-N 2.76Å; L55-C57 VanDerWaalsContact C-N 3.31Å; L55-C57 PolarHBondContact O-N 3.04Å; L55-I58 PolarHBondContact O-N 2.9Å; L55-Y59 HydrophobicContact CD1-CD2 3.85Å; L55-Y59 HydrophobicContact CD1-CE2 3.42Å; L55-Y59 VanDerWaalsContact CD1-CE2 3.42Å; L55-Y59 HydrophobicContact CD2-CE2 4.46Å; L55-Y59 HydrophobicContact CG-CD2 3.99Å; L55-Y59 HydrophobicContact CG-CE2 3.84Å; L55-Y59 WeakPolarHBondContact O-CD2 3.36Å; L55-Y59 PolarHBondContact O-N 3.16Å; L55-Y59 VanDerWaalsContact O-N 3.1Å; L55-Y233 VanDerWaalsContact CD1-C 3.48Å; L55-D234 HydrophobicContact CD1-CB 4.49Å; L55-D234 HydrophobicContact CD2-CB 3.94Å; L55-V237 HydrophobicContact CB-CG1 4.21Å; L55-V237 HydrophobicContact CD1-CB 4.41Å; L55-V237 HydrophobicContact CD1-CG2 4.18Å |
| 56 | P | 98.2 | Very high | 96.6 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 8% | 0.078 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -51.1 | -41.7 | 164.4 | -31.4 | 35.9 | 0 | 0 | 0 | 114.8 | D53 L60 I128 F132 | D53-P56 WeakPolarHBondContact O-CB 3.29Å; D53-P56 WeakPolarHBondContact O-CD 3.27Å; P56-L60 WeakPolarHBondContact O-CB 3.32Å; P56-L60 WeakPolarHBondContact O-CD1 3.31Å; P56-L60 WeakPolarHBondContact O-CG 3.28Å; P56-L60 PolarHBondContact O-N 3.17Å; P56-I128 HydrophobicContact CB-CG2 3.72Å; P56-F132 HydrophobicContact CB-CB 3.93Å; P56-F132 HydrophobicContact CB-CD1 3.87Å; P56-F132 HydrophobicContact CB-CG 3.93Å; P56-F132 HydrophobicContact CG-CD1 3.85Å; P56-F132 HydrophobicContact CG-CE1 4.43Å; P56-F132 HydrophobicContact CG-CG 4.4Å |
| 57 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -49.6 | 177.2 | -66 | 0 | 0 | 0 | 0 | 111.9 | F42 F43 D53 L54 L55 Y59 L60 C61 I128 | F42-C57 HydrophobicContact CE1-CB 3.94Å; F43-C57 HydrophobicContact CE1-CB 4.14Å; D53-C57 PolarHBondContact O-N 3.48Å; D53-C57 PolarHBondContact O-SG 3.46Å; L54-C57 WeakPolarHBondContact O-CA 3.48Å; L54-C57 VanDerWaalsContact O-CB 3.28Å; L54-C57 WeakPolarHBondContact O-CB 3.29Å; L54-C57 PolarHBondContact O-N 2.96Å; L54-C57 VanDerWaalsContact O-N 3.08Å; L55-C57 VanDerWaalsContact C-N 3.31Å; L55-C57 PolarHBondContact O-N 3.04Å; C57-Y59 VanDerWaalsContact C-N 3.33Å; C57-Y59 PolarHBondContact O-N 2.98Å; C57-L60 PolarHBondContact O-N 3.36Å; C57-C61 PolarHBondContact O-N 3.47Å; C57-C61 PolarHBondContact O-SG 3.25Å; C57-I128 WeakPolarHBondContact SG-CD1 3.22Å |
| 58 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.3 | -49.6 | 179.4 | -71.2 | 158.7 | 0 | 0 | 0 | 110.3 | F43 L54 L55 L60 C61 L62 L186 L190 Y233 V237 | F43-I58 HydrophobicContact CE1-CG1 4.03Å; F43-I58 HydrophobicContact CZ-CG1 3.81Å; L54-I58 HydrophobicContact CD1-CD1 4.41Å; L54-I58 HydrophobicContact CG-CD1 4.06Å; L54-I58 WeakPolarHBondContact O-CG1 3.26Å; L54-I58 PolarHBondContact O-N 3.43Å; L55-I58 PolarHBondContact O-N 2.9Å; I58-L60 PolarHBondContact O-N 2.94Å; I58-C61 WeakPolarHBondContact O-CB 3.1Å; I58-C61 PolarHBondContact O-N 2.67Å; I58-L62 HydrophobicContact CG2-CD1 4.11Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 2.98Å; I58-L186 HydrophobicContact CG2-CD1 4.46Å; I58-L186 HydrophobicContact CG2-CD2 3.96Å; I58-L190 HydrophobicContact CD1-CD1 3.83Å; I58-L190 HydrophobicContact CD1-CD2 3.76Å; I58-L190 HydrophobicContact CD1-CG 4.46Å; I58-L190 HydrophobicContact CG1-CD1 4.46Å; I58-Y233 HydrophobicContact CG2-CD1 3.78Å; I58-Y233 HydrophobicContact CG2-CD2 4.05Å; I58-Y233 HydrophobicContact CG2-CE1 4.06Å; I58-Y233 HydrophobicContact CG2-CE2 4.32Å; I58-Y233 HydrophobicContact CG2-CG 3.77Å; I58-V237 HydrophobicContact CD1-CG2 3.46Å; I58-V237 VanDerWaalsContact CD1-CG2 3.46Å |
| 59 | Y | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.3 | -38.8 | -179.9 | -79.4 | -47.2 | 0 | 0 | 0 | 113.3 | L55 C57 L62 N63 Q64 G66 P67 F132 Y233 D234 | L55-Y59 HydrophobicContact CD1-CD2 3.85Å; L55-Y59 HydrophobicContact CD1-CE2 3.42Å; L55-Y59 VanDerWaalsContact CD1-CE2 3.42Å; L55-Y59 HydrophobicContact CD2-CE2 4.46Å; L55-Y59 HydrophobicContact CG-CD2 3.99Å; L55-Y59 HydrophobicContact CG-CE2 3.84Å; L55-Y59 WeakPolarHBondContact O-CD2 3.36Å; L55-Y59 PolarHBondContact O-N 3.16Å; L55-Y59 VanDerWaalsContact O-N 3.1Å; C57-Y59 VanDerWaalsContact C-N 3.33Å; C57-Y59 PolarHBondContact O-N 2.98Å; Y59-L62 PolarHBondContact O-N 3.33Å; Y59-N63 WeakPolarHBondContact O-CA 3.33Å; Y59-N63 PolarHBondContact O-N 3.13Å; Y59-Q64 CarbonylContact C-O 3.52Å; Y59-Q64 WeakPolarHBondContact CB-O 3.43Å; Y59-Q64 HydrophobicContact CD1-CB 3.74Å; Y59-Q64 HydrophobicContact CE1-CB 4.36Å; Y59-Q64 PolarHBondContact O-N 3.08Å; Y59-G66 WeakPolarHBondContact CE1-O 3.49Å; Y59-G66 VanDerWaalsContact CZ-CA 3.45Å; Y59-P67 WeakPolarHBondContact OH-CD 3.12Å; Y59-P67 WeakPolarHBondContact OH-CG 3.49Å; Y59-F132 VanDerWaalsContact CB-CE2 3.48Å; Y59-F132 HydrophobicContact CD2-CE1 4.18Å; Y59-F132 HydrophobicContact CD2-CE2 4.32Å; Y59-F132 AromaticContact CD2-CZ 3.53Å; Y59-F132 HydrophobicContact CD2-CZ 3.53Å; Y59-F132 HydrophobicContact CG-CE2 4.21Å; Y59-F132 AromaticContact CG-CZ 3.86Å; Y59-F132 HydrophobicContact CG-CZ 3.86Å; Y59-Y233 AromaticContact CE1-CD2 3.88Å; Y59-Y233 HydrophobicContact CE1-CD2 3.88Å; Y59-D234 WeakPolarHBondContact CE2-OD2 3.38Å; Y59-D234 VanDerWaalsContact CZ-OD2 3.31Å; Y59-D234 PolarHBondContact OH-OD2 3.15Å |
| 60 | L | 97.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.1 | -37.4 | 173.7 | -72.1 | 166.4 | 0 | 0 | 0 | 112.4 | Y16 L19 P56 C57 I58 N63 I128 L131 F132 L135 | Y16-L60 HydrophobicContact CD2-CD1 4.48Å; Y16-L60 HydrophobicContact CE2-CD1 4.2Å; L19-L60 HydrophobicContact CD2-CB 3.84Å; L19-L60 HydrophobicContact CD2-CD1 3.82Å; L19-L60 HydrophobicContact CD2-CG 4.5Å; P56-L60 WeakPolarHBondContact O-CB 3.32Å; P56-L60 WeakPolarHBondContact O-CD1 3.31Å; P56-L60 WeakPolarHBondContact O-CG 3.28Å; P56-L60 PolarHBondContact O-N 3.17Å; C57-L60 PolarHBondContact O-N 3.36Å; I58-L60 PolarHBondContact O-N 2.94Å; L60-N63 PolarHBondContact O-N 3.3Å; L60-I128 HydrophobicContact CD1-CG2 3.81Å; L60-L131 HydrophobicContact CD1-CD2 4.21Å; L60-L131 HydrophobicContact CD2-CD2 3.91Å; L60-L131 HydrophobicContact CD2-CG 4.28Å; L60-F132 HydrophobicContact CD2-CD2 4.39Å; L60-F132 HydrophobicContact CG-CD2 4.23Å; L60-L135 HydrophobicContact CD2-CD1 3.62Å |
| 61 | C | 97.6 | Very high | 96 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 174.4 | -71.1 | 0 | 0 | 0 | 0 | 112.4 | C57 I58 N63 L181 L186 | C57-C61 PolarHBondContact O-N 3.47Å; C57-C61 PolarHBondContact O-SG 3.25Å; I58-C61 WeakPolarHBondContact O-CB 3.1Å; I58-C61 PolarHBondContact O-N 2.67Å; C61-N63 PolarHBondContact O-N 3.1Å; C61-L181 HydrophobicContact CB-CD2 3.92Å; C61-L186 HydrophobicContact CB-CD1 3.58Å |
| 62 | L | 94.7 | Very high | 95.8 | Very high | 30 Ų | 30 | 24.9 Ų | 24.9 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -3.1 | 178.1 | -62.5 | 176.5 | 0 | 0 | 0 | 114 | I58 Y59 Q64 E183 L186 Y233 | I58-L62 HydrophobicContact CG2-CD1 4.11Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 2.98Å; Y59-L62 PolarHBondContact O-N 3.33Å; L62-Q64 HydrophobicContact CB-CB 4.37Å; L62-Q64 HydrophobicContact CB-CG 4.1Å; L62-Q64 PolarHBondContact O-N 3.22Å; L62-E183 HydrophobicContact CD2-CB 4.09Å; L62-E183 HydrophobicContact CD2-CG 4.13Å; L62-L186 HydrophobicContact CD1-CD2 4.37Å; L62-L186 HydrophobicContact CD2-CB 4.39Å; L62-L186 HydrophobicContact CD2-CD1 3.9Å; L62-L186 HydrophobicContact CD2-CG 4.5Å; L62-L186 HydrophobicContact CG-CD1 3.88Å; L62-Y233 HydrophobicContact CD1-CD2 4.08Å; L62-Y233 HydrophobicContact CD1-CE2 3.25Å |
| 63 | N | 94.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 27.3 Ų | 27.3 | 22% | 0.219 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 31.9 | -170.2 | -157.2 | 43.2 | 0 | 0 | 0 | 115.9 | Y59 L60 C61 C172 G175 K176 M177 | Y59-N63 WeakPolarHBondContact O-CA 3.33Å; Y59-N63 PolarHBondContact O-N 3.13Å; L60-N63 PolarHBondContact O-N 3.3Å; C61-N63 PolarHBondContact O-N 3.1Å; N63-C172 VanDerWaalsContact OD1-CA 3.23Å; N63-C172 WeakPolarHBondContact OD1-CA 3.32Å; N63-G175 WeakPolarHBondContact ND2-CA 3.43Å; N63-G175 PolarHBondContact ND2-O 2.95Å; N63-G175 VanDerWaalsContact ND2-O 3.12Å; N63-K176 PolarHBondContact ND2-N 2.89Å; N63-M177 HydrophobicContact CB-CB 4.16Å; N63-M177 HydrophobicContact CB-CG 3.47Å; N63-M177 VanDerWaalsContact CB-CG 3.47Å |
| 64 | Q | 95.1 | Very high | 95.3 | Very high | 46 Ų | 46 | 28.4 Ų | 28.4 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | trans | -105.3 | 165.3 | 179.7 | -72.4 | 170.1 | 10.2 | 0 | 0 | 110 | Y59 L62 | Y59-Q64 CarbonylContact C-O 3.52Å; Y59-Q64 WeakPolarHBondContact CB-O 3.43Å; Y59-Q64 HydrophobicContact CD1-CB 3.74Å; Y59-Q64 HydrophobicContact CE1-CB 4.36Å; Y59-Q64 PolarHBondContact O-N 3.08Å; L62-Q64 HydrophobicContact CB-CB 4.37Å; L62-Q64 HydrophobicContact CB-CG 4.1Å; L62-Q64 PolarHBondContact O-N 3.22Å | ||
| 65 | L | 96 | Very high | 94.8 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -116.5 | 8.8 | 175.5 | -61.3 | -176.7 | 0 | 0 | 0 | 113 | L72 L74 F132 L135 K136 A139 | L65-L72 HydrophobicContact CB-CB 3.91Å; L65-L72 HydrophobicContact CB-CD1 4.3Å; L65-L72 HydrophobicContact CD1-CB 4.39Å; L65-L74 HydrophobicContact CD1-CD2 3.66Å; L65-L74 HydrophobicContact CD1-CG 3.89Å; L65-F132 HydrophobicContact CD2-CD2 4.49Å; L65-F132 HydrophobicContact CD2-CE2 4.13Å; L65-L135 HydrophobicContact CD2-CB 3.65Å; L65-L135 HydrophobicContact CD2-CD1 4.31Å; L65-K136 WeakPolarHBondContact O-CE 3.34Å; L65-A139 HydrophobicContact CD1-CB 3.52Å |
| 66 | G | 96.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 152.8 | 178.2 | -165.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y59 | Y59-G66 WeakPolarHBondContact CE1-O 3.49Å; Y59-G66 VanDerWaalsContact CZ-CA 3.45Å |
| 67 | P | 96.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | trans | -58.4 | 141.6 | 176.1 | -21.5 | 33.5 | 0 | 0 | 0 | 111.2 | Y59 Y69 E70 N232 | Y59-P67 WeakPolarHBondContact OH-CD 3.12Å; Y59-P67 WeakPolarHBondContact OH-CG 3.49Å; P67-Y69 HydrophobicContact CB-CD1 3.68Å; P67-Y69 HydrophobicContact CB-CD2 4.5Å; P67-Y69 HydrophobicContact CB-CE1 3.22Å; P67-Y69 HydrophobicContact CB-CE2 4.09Å; P67-Y69 HydrophobicContact CB-CG 4.31Å; P67-Y69 VanDerWaalsContact CB-CZ 3.46Å; P67-Y69 HydrophobicContact CG-CE1 4.1Å; P67-Y69 PolarHBondContact O-N 3.47Å; P67-E70 HydrophobicContact CB-CG 4.49Å; P67-E70 WeakPolarHBondContact O-CB 3.46Å; P67-E70 PolarHBondContact O-N 2.66Å; P67-N232 HydrophobicContact CG-CB 4.27Å | ||
| 68 | T | 93 | Very high | 93.4 | Very high | 56 Ų | 56 | 36.2 Ų | 36.2 | 34% | 0.344 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -49.9 | -37.9 | -174.8 | -51.6 | 0 | 0 | 0 | 0 | 113.4 | E70 G71 | T68-E70 PolarHBondContact O-N 2.74Å; T68-G71 PolarHBondContact O-N 3.44Å; T68-G71 VanDerWaalsContact O-N 3.08Å |
| 69 | Y | 95.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -70.6 | -9.3 | -179.1 | 64.2 | -103 | 0 | 0 | 0 | 115 | P67 G71 N232 V258 P259 F306 L310 N312 | P67-Y69 HydrophobicContact CB-CD1 3.68Å; P67-Y69 HydrophobicContact CB-CD2 4.5Å; P67-Y69 HydrophobicContact CB-CE1 3.22Å; P67-Y69 HydrophobicContact CB-CE2 4.09Å; P67-Y69 HydrophobicContact CB-CG 4.31Å; P67-Y69 VanDerWaalsContact CB-CZ 3.46Å; P67-Y69 HydrophobicContact CG-CE1 4.1Å; P67-Y69 PolarHBondContact O-N 3.47Å; Y69-G71 VanDerWaalsContact C-N 3.34Å; Y69-N232 PolarHBondContact OH-ND2 3.37Å; Y69-V258 HydrophobicContact CE1-CG1 3.76Å; Y69-P259 HydrophobicContact CD1-CG 3.71Å; Y69-P259 HydrophobicContact CG-CG 3.94Å; Y69-F306 HydrophobicContact CG-CE1 4.41Å; Y69-L310 VanDerWaalsContact CA-O 3.24Å; Y69-L310 WeakPolarHBondContact CA-O 3.46Å; Y69-L310 WeakPolarHBondContact CB-O 3.33Å; Y69-L310 PolarHBondContact N-O 2.94Å; Y69-N312 WeakPolarHBondContact O-CB 3.5Å |
| 70 | E | 94.4 | Very high | 92.8 | Very high | 98 Ų | 98 | 40.5 Ų | 40.5 | 46% | 0.458 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -79.8 | -17 | 169.6 | -62.3 | -164 | 168.1 | 0 | 0 | 112.5 | P67 T68 L72 | P67-E70 HydrophobicContact CB-CG 4.49Å; P67-E70 WeakPolarHBondContact O-CB 3.46Å; P67-E70 PolarHBondContact O-N 2.66Å; T68-E70 PolarHBondContact O-N 2.74Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 HydrophobicContact CB-CG 4.23Å; E70-L72 PolarHBondContact O-N 2.68Å |
| 71 | G | 89 | Confident | 92.7 | Very high | 39 Ų | 39 | 40.5 Ų | 40.5 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | trans | 62.7 | 30.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T68 Y69 E73 | T68-G71 PolarHBondContact O-N 3.44Å; T68-G71 VanDerWaalsContact O-N 3.08Å; Y69-G71 VanDerWaalsContact C-N 3.34Å; G71-E73 PolarHBondContact O-N 2.78Å | ||
| 72 | L | 90.9 | Very high | 92.5 | Very high | 51 Ų | 51 | 41.6 Ų | 41.6 | 27% | 0.267 | 25% | 0.248 | S | C | . | . | trans | -76.8 | 88.3 | -179 | -68.9 | 178.1 | 0 | 0 | 0 | 111.8 | L65 E70 A139 | L65-L72 HydrophobicContact CB-CB 3.91Å; L65-L72 HydrophobicContact CB-CD1 4.3Å; L65-L72 HydrophobicContact CD1-CB 4.39Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 HydrophobicContact CB-CG 4.23Å; E70-L72 PolarHBondContact O-N 2.68Å; L72-A139 HydrophobicContact CB-CB 4.48Å | ||
| 73 | E | 89 | Confident | 92.6 | Very high | 124 Ų | 124 | 44.8 Ų | 44.8 | 58% | 0.579 | 26% | 0.26 | S | S | * | . | trans | -91.5 | 136.4 | 175 | -66.9 | 164 | -157.6 | 0 | 0 | 111.9 | G71 G75 A139 K369 | G71-E73 PolarHBondContact O-N 2.78Å; E73-G75 VanDerWaalsContact C-N 3.32Å; E73-G75 PolarHBondContact O-N 2.82Å; E73-A139 WeakPolarHBondContact O-CA 3.36Å; E73-A139 WeakPolarHBondContact O-CB 3.06Å; E73-K369 IonicContact OE1-NZ 3.38Å | ||
| 74 | L | 92.8 | Very high | 92.6 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 12% | 0.115 | 25% | 0.25 | C | S | . | . | trans | -65.7 | -35.4 | 173.5 | -69.7 | 171 | 0 | 0 | 0 | 112.2 | L65 I76 L135 I138 A139 K150 C172 L173 | L65-L74 HydrophobicContact CD1-CD2 3.66Å; L65-L74 HydrophobicContact CD1-CG 3.89Å; L74-I76 HydrophobicContact CB-CG1 4.47Å; L74-I76 PolarHBondContact O-N 3.29Å; L74-L135 HydrophobicContact CD1-CD2 4.22Å; L74-L135 HydrophobicContact CD2-CB 4.17Å; L74-L135 HydrophobicContact CD2-CD2 4.11Å; L74-L135 WeakPolarHBondContact CD2-O 3.18Å; L74-I138 HydrophobicContact CB-CG2 4.27Å; L74-I138 HydrophobicContact CD2-CB 3.91Å; L74-I138 HydrophobicContact CD2-CG2 3.63Å; L74-A139 HydrophobicContact CD2-CB 4.4Å; L74-K150 WeakPolarHBondContact O-CE 3.34Å; L74-K150 PolarHBondContact O-NZ 2.83Å; L74-C172 VanDerWaalsContact CD1-O 3.3Å; L74-C172 WeakPolarHBondContact CD1-O 3.23Å; L74-L173 HydrophobicContact CD1-CD2 4.47Å | ||
| 75 | G | 87.5 | Confident | 92.7 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 44% | 0.443 | 24% | 0.24 | S | C | . | . | trans | 53.7 | 53.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | E73 K150 | E73-G75 VanDerWaalsContact C-N 3.32Å; E73-G75 PolarHBondContact O-N 2.82Å; G75-K150 PolarHBondContact O-NZ 2.82Å; G75-K150 VanDerWaalsContact O-NZ 3.1Å | ||
| 76 | I | 89.9 | Confident | 92.7 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | trans | -116.7 | 132.6 | 172.1 | -51 | 169.9 | 0 | 0 | 0 | 107.4 | L74 T80 L81 I138 K150 L173 | L74-I76 HydrophobicContact CB-CG1 4.47Å; L74-I76 PolarHBondContact O-N 3.29Å; I76-T80 HydrophobicContact CG2-CG2 3.69Å; I76-L81 HydrophobicContact CB-CD2 4.25Å; I76-L81 HydrophobicContact CB-CG 4.48Å; I76-L81 HydrophobicContact CD1-CD2 4.26Å; I76-L81 HydrophobicContact CG2-CD2 3.59Å; I76-L81 HydrophobicContact CG2-CG 3.79Å; I76-I138 HydrophobicContact CD1-CD1 4.38Å; I76-I138 HydrophobicContact CD1-CG2 3.75Å; I76-I138 HydrophobicContact CG1-CG2 4.1Å; I76-K150 HydrophobicContact CG1-CB 4.42Å; I76-K150 HydrophobicContact CG1-CD 4.24Å; I76-L173 HydrophobicContact CD1-CD2 3.65Å | ||
| 77 | S | 87.6 | Confident | 92.6 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 41% | 0.406 | 26% | 0.257 | S | S | . | . | trans | -83.2 | 153.3 | 176.8 | 71.6 | 0 | 0 | 0 | 0 | 112 | A79 T80 L81 | S77-A79 PolarHBondContact O-N 2.84Å; S77-T80 WeakPolarHBondContact O-CA 3.47Å; S77-T80 WeakPolarHBondContact O-CB 3.37Å; S77-T80 PolarHBondContact O-N 2.94Å; S77-T80 PolarHBondContact OG-N 3.46Å; S77-T80 PolarHBondContact OG-OG1 2.88Å; S77-T80 VanDerWaalsContact OG-OG1 3.07Å; S77-L81 PolarHBondContact O-N 2.98Å | ||
| 78 | D | 88.6 | Confident | 92.3 | Very high | 88 Ų | 88 | 45.1 Ų | 45.1 | 47% | 0.471 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.8 | -36.8 | 175.1 | -70.9 | -23.6 | 0 | 0 | 0 | 112.3 | T80 L81 Q82 | D78-T80 PolarHBondContact O-N 3.45Å; D78-L81 PolarHBondContact O-N 3.5Å; D78-Q82 WeakPolarHBondContact O-CB 3.44Å; D78-Q82 VanDerWaalsContact O-CG 3.22Å; D78-Q82 WeakPolarHBondContact O-CG 3.44Å; D78-Q82 PolarHBondContact O-N 3.45Å |
| 79 | A | 91 | Very high | 92.3 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S77 K83 | S77-A79 PolarHBondContact O-N 2.84Å; A79-K83 WeakPolarHBondContact O-CB 3.32Å; A79-K83 PolarHBondContact O-N 3.5Å |
| 80 | T | 92.2 | Very high | 92.1 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 16% | 0.16 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 172.3 | -58 | 0 | 0 | 0 | 0 | 111.5 | I76 S77 D78 K83 A84 M147 L151 | I76-T80 HydrophobicContact CG2-CG2 3.69Å; S77-T80 WeakPolarHBondContact O-CA 3.47Å; S77-T80 WeakPolarHBondContact O-CB 3.37Å; S77-T80 PolarHBondContact O-N 2.94Å; S77-T80 PolarHBondContact OG-N 3.46Å; S77-T80 PolarHBondContact OG-OG1 2.88Å; S77-T80 VanDerWaalsContact OG-OG1 3.07Å; D78-T80 PolarHBondContact O-N 3.45Å; T80-K83 PolarHBondContact O-N 3.49Å; T80-A84 WeakPolarHBondContact O-CB 3.41Å; T80-A84 PolarHBondContact O-N 3.27Å; T80-M147 HydrophobicContact CG2-CE 4.41Å; T80-L151 HydrophobicContact CG2-CB 4.33Å; T80-L151 HydrophobicContact CG2-CD1 4.11Å |
| 81 | L | 94.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 176.8 | -63.6 | 176.8 | 0 | 0 | 0 | 112.4 | I76 S77 D78 K83 A84 V85 L106 T154 L173 | I76-L81 HydrophobicContact CB-CD2 4.25Å; I76-L81 HydrophobicContact CB-CG 4.48Å; I76-L81 HydrophobicContact CD1-CD2 4.26Å; I76-L81 HydrophobicContact CG2-CD2 3.59Å; I76-L81 HydrophobicContact CG2-CG 3.79Å; S77-L81 PolarHBondContact O-N 2.98Å; D78-L81 PolarHBondContact O-N 3.5Å; L81-K83 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 3.03Å; L81-A84 WeakPolarHBondContact O-CB 3.22Å; L81-A84 PolarHBondContact O-N 3.36Å; L81-A84 VanDerWaalsContact O-N 3.11Å; L81-V85 WeakPolarHBondContact O-CG2 3.24Å; L81-V85 PolarHBondContact O-N 2.88Å; L81-L106 HydrophobicContact CB-CD2 3.58Å; L81-T154 HydrophobicContact CD2-CG2 4.09Å; L81-L173 HydrophobicContact CD1-CB 4.31Å; L81-L173 HydrophobicContact CD2-CB 3.7Å; L81-L173 HydrophobicContact CD2-CD1 4.43Å |
| 82 | Q | 95.3 | Very high | 92.4 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 174.1 | -71 | 166.6 | 32.8 | 0 | 0 | 111 | D78 A84 V85 A86 I96 L100 L106 | D78-Q82 WeakPolarHBondContact O-CB 3.44Å; D78-Q82 VanDerWaalsContact O-CG 3.22Å; D78-Q82 WeakPolarHBondContact O-CG 3.44Å; D78-Q82 PolarHBondContact O-N 3.45Å; Q82-A84 PolarHBondContact O-N 3.27Å; Q82-V85 PolarHBondContact O-N 3.45Å; Q82-A86 VanDerWaalsContact O-CB 3.26Å; Q82-A86 WeakPolarHBondContact O-CB 3.26Å; Q82-A86 PolarHBondContact O-N 3.32Å; Q82-I96 HydrophobicContact CB-CG2 4.18Å; Q82-I96 HydrophobicContact CG-CG2 4.24Å; Q82-L100 HydrophobicContact CG-CD2 4.17Å; Q82-L106 HydrophobicContact CG-CD1 3.98Å; Q82-L106 HydrophobicContact CG-CD2 3.97Å |
| 83 | K | 95.3 | Very high | 92.6 | Very high | 97 Ų | 97 | 45 Ų | 45 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 174 | -176.6 | 178.9 | 179.8 | 180 | 0 | 111.9 | A79 T80 L81 A86 Q87 L151 | A79-K83 WeakPolarHBondContact O-CB 3.32Å; A79-K83 PolarHBondContact O-N 3.5Å; T80-K83 PolarHBondContact O-N 3.49Å; L81-K83 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 3.03Å; K83-A86 PolarHBondContact O-N 2.9Å; K83-Q87 HydrophobicContact CG-CG 4.42Å; K83-Q87 WeakPolarHBondContact O-CB 3.42Å; K83-Q87 VanDerWaalsContact O-CG 3.32Å; K83-Q87 WeakPolarHBondContact O-CG 3.47Å; K83-Q87 PolarHBondContact O-N 2.74Å; K83-L151 HydrophobicContact CD-CD2 4.47Å |
| 84 | A | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.1 | -50.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T80 L81 Q82 A86 Q87 C88 L151 T154 K155 I158 | T80-A84 WeakPolarHBondContact O-CB 3.41Å; T80-A84 PolarHBondContact O-N 3.27Å; L81-A84 WeakPolarHBondContact O-CB 3.22Å; L81-A84 PolarHBondContact O-N 3.36Å; L81-A84 VanDerWaalsContact O-N 3.11Å; Q82-A84 PolarHBondContact O-N 3.27Å; A84-A86 PolarHBondContact O-N 3.14Å; A84-Q87 PolarHBondContact O-N 3.19Å; A84-C88 WeakPolarHBondContact O-CB 3.11Å; A84-C88 PolarHBondContact O-N 3.38Å; A84-C88 PolarHBondContact O-SG 3.24Å; A84-L151 HydrophobicContact CB-CD1 3.59Å; A84-T154 HydrophobicContact CB-CG2 3.71Å; A84-K155 HydrophobicContact CB-CG 4.23Å; A84-I158 HydrophobicContact CB-CD1 4.3Å |
| 85 | V | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 111 | L81 Q82 C88 T89 I96 A110 I158 V170 | L81-V85 WeakPolarHBondContact O-CG2 3.24Å; L81-V85 PolarHBondContact O-N 2.88Å; Q82-V85 PolarHBondContact O-N 3.45Å; V85-C88 WeakPolarHBondContact O-CB 3.35Å; V85-C88 PolarHBondContact O-N 3.27Å; V85-T89 HydrophobicContact CG1-CG2 4.44Å; V85-T89 WeakPolarHBondContact O-CB 3.2Å; V85-T89 WeakPolarHBondContact O-CG2 3.45Å; V85-T89 PolarHBondContact O-N 3.48Å; V85-T89 PolarHBondContact O-OG1 3.03Å; V85-I96 HydrophobicContact CG1-CD1 3.88Å; V85-I96 HydrophobicContact CG1-CG1 4.42Å; V85-A110 HydrophobicContact CG1-CB 4.05Å; V85-A110 HydrophobicContact CG2-CB 3.88Å; V85-I158 HydrophobicContact CG2-CD1 4.07Å; V85-V170 HydrophobicContact CG2-CG2 4.09Å |
| 86 | A | 95.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.9 | -58.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q82 K83 A84 C88 T89 G90 R91 V93 I96 | Q82-A86 VanDerWaalsContact O-CB 3.26Å; Q82-A86 WeakPolarHBondContact O-CB 3.26Å; Q82-A86 PolarHBondContact O-N 3.32Å; K83-A86 PolarHBondContact O-N 2.9Å; A84-A86 PolarHBondContact O-N 3.14Å; A86-C88 PolarHBondContact O-N 3.44Å; A86-T89 PolarHBondContact O-N 2.77Å; A86-G90 PolarHBondContact O-N 3.27Å; A86-G90 VanDerWaalsContact O-N 3.09Å; A86-R91 CarbonylContact C-O 3.39Å; A86-R91 WeakPolarHBondContact CA-O 3.32Å; A86-R91 VanDerWaalsContact CB-O 3.29Å; A86-R91 WeakPolarHBondContact CB-O 3.09Å; A86-R91 PolarHBondContact O-N 2.91Å; A86-V93 HydrophobicContact CB-CB 4.42Å; A86-V93 HydrophobicContact CB-CG2 3.64Å; A86-I96 HydrophobicContact CB-CG1 3.95Å |
| 87 | Q | 94 | Very high | 93.8 | Very high | 98 Ų | 98 | 47.5 Ų | 47.5 | 46% | 0.458 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 178.5 | -72.3 | -176.7 | -23.2 | 0 | 0 | 112.7 | K83 A84 | K83-Q87 HydrophobicContact CG-CG 4.42Å; K83-Q87 WeakPolarHBondContact O-CB 3.42Å; K83-Q87 VanDerWaalsContact O-CG 3.32Å; K83-Q87 WeakPolarHBondContact O-CG 3.47Å; K83-Q87 PolarHBondContact O-N 2.74Å; A84-Q87 PolarHBondContact O-N 3.19Å |
| 88 | C | 91.4 | Very high | 94.1 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 11% | 0.108 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 177.7 | -95.2 | 0 | 0 | 0 | 0 | 113.7 | A84 V85 A86 R114 Q117 K155 I158 | A84-C88 WeakPolarHBondContact O-CB 3.11Å; A84-C88 PolarHBondContact O-N 3.38Å; A84-C88 PolarHBondContact O-SG 3.24Å; V85-C88 WeakPolarHBondContact O-CB 3.35Å; V85-C88 PolarHBondContact O-N 3.27Å; A86-C88 PolarHBondContact O-N 3.44Å; C88-R114 VanDerWaalsContact O-CZ 3.32Å; C88-R114 PolarHBondContact O-NH1 2.74Å; C88-R114 PolarHBondContact O-NH2 3.4Å; C88-R114 PolarHBondContact SG-NH2 2.86Å; C88-Q117 PolarHBondContact O-OE1 3.46Å; C88-K155 WeakPolarHBondContact SG-CA 3.28Å; C88-K155 PolarHBondContact SG-O 3.22Å; C88-I158 HydrophobicContact CB-CB 4.45Å; C88-I158 HydrophobicContact CB-CG2 3.82Å |
| 89 | T | 91.7 | Very high | 94.3 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -100.3 | 1.1 | -168.3 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | V85 A86 R91 R114 | V85-T89 HydrophobicContact CG1-CG2 4.44Å; V85-T89 WeakPolarHBondContact O-CB 3.2Å; V85-T89 WeakPolarHBondContact O-CG2 3.45Å; V85-T89 PolarHBondContact O-N 3.48Å; V85-T89 PolarHBondContact O-OG1 3.03Å; A86-T89 PolarHBondContact O-N 2.77Å; T89-R91 PolarHBondContact O-N 3.23Å; T89-R91 WeakPolarHBondContact OG1-CG 3.31Å; T89-R114 HydrophobicContact CG2-CG 4.07Å |
| 90 | G | 91.5 | Very high | 94.3 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 78% | 0.784 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 12.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A86 | A86-G90 PolarHBondContact O-N 3.27Å; A86-G90 VanDerWaalsContact O-N 3.09Å |
| 91 | R | 94 | Very high | 94 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | trans | -94.4 | 149.8 | -179.3 | -56.4 | -174.4 | 76.6 | -178.5 | 5.7 | 110.2 | A86 T89 I96 E99 S113 | A86-R91 CarbonylContact C-O 3.39Å; A86-R91 WeakPolarHBondContact CA-O 3.32Å; A86-R91 VanDerWaalsContact CB-O 3.29Å; A86-R91 WeakPolarHBondContact CB-O 3.09Å; A86-R91 PolarHBondContact O-N 2.91Å; T89-R91 PolarHBondContact O-N 3.23Å; T89-R91 WeakPolarHBondContact OG1-CG 3.31Å; R91-I96 HydrophobicContact CB-CD1 4.08Å; R91-I96 HydrophobicContact CB-CG1 4.38Å; R91-E99 IonicContact CZ-OE1 3.22Å; R91-E99 VanDerWaalsContact CZ-OE1 3.22Å; R91-E99 VanDerWaalsContact NH1-CD 3.27Å; R91-E99 IonicContact NH1-OE1 2.68Å; R91-E99 PolarHBondContact NH1-OE1 2.82Å; R91-E99 IonicContact NH1-OE2 2.59Å; R91-E99 PolarHBondContact NH1-OE2 2.71Å; R91-E99 IonicContact NH2-OE1 2.68Å; R91-E99 PolarHBondContact NH2-OE1 2.78Å; R91-S113 WeakPolarHBondContact CD-OG 3.23Å; R91-S113 PolarHBondContact NH1-OG 2.8Å | ||
| 92 | S | 95.5 | Very high | 93.6 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | trans | -68.7 | 150.4 | 171.1 | 62.8 | 0 | 0 | 0 | 0 | 111.2 | D94 V95 I96 | S92-D94 PolarHBondContact O-N 2.8Å; S92-V95 PolarHBondContact O-N 3.3Å; S92-V95 WeakPolarHBondContact OG-CB 3.37Å; S92-V95 VanDerWaalsContact OG-CG2 3.24Å; S92-V95 WeakPolarHBondContact OG-CG2 3.49Å; S92-V95 PolarHBondContact OG-N 3.03Å; S92-I96 PolarHBondContact O-N 2.83Å | ||
| 93 | V | 96 | Very high | 93.1 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 30% | 0.297 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.9 | -35.9 | 178.6 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | A86 V95 I96 K97 | A86-V93 HydrophobicContact CB-CB 4.42Å; A86-V93 HydrophobicContact CB-CG2 3.64Å; V93-V95 PolarHBondContact O-N 3.25Å; V93-I96 WeakPolarHBondContact O-CB 3.29Å; V93-I96 PolarHBondContact O-N 3.18Å; V93-I96 VanDerWaalsContact O-N 3.14Å; V93-K97 HydrophobicContact CG1-CD 4.41Å; V93-K97 HydrophobicContact CG1-CG 4.4Å; V93-K97 WeakPolarHBondContact O-CG 3.46Å; V93-K97 PolarHBondContact O-N 2.81Å |
| 94 | D | 97 | Very high | 92.5 | Very high | 103 Ų | 103 | 51.2 Ų | 51.2 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -73.1 | -29.4 | -177.1 | -53.8 | -50.4 | 0 | 0 | 0 | 112.7 | S92 K97 A98 | S92-D94 PolarHBondContact O-N 2.8Å; D94-K97 PolarHBondContact O-N 3.36Å; D94-K97 IonicContact OD1-NZ 2.68Å; D94-K97 PolarHBondContact OD1-NZ 2.65Å; D94-A98 WeakPolarHBondContact O-CB 3.42Å; D94-A98 PolarHBondContact O-N 2.84Å |
| 95 | V | 96.1 | Very high | 92.2 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.7 | -36.6 | 168.4 | 167.7 | 0 | 0 | 0 | 0 | 111.5 | S92 V93 E99 | S92-V95 PolarHBondContact O-N 3.3Å; S92-V95 WeakPolarHBondContact OG-CB 3.37Å; S92-V95 VanDerWaalsContact OG-CG2 3.24Å; S92-V95 WeakPolarHBondContact OG-CG2 3.49Å; S92-V95 PolarHBondContact OG-N 3.03Å; V93-V95 PolarHBondContact O-N 3.25Å; V95-E99 PolarHBondContact O-N 2.85Å |
| 96 | I | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 173 | -62 | -56.6 | 0 | 0 | 0 | 110.9 | Q82 V85 A86 R91 S92 V93 L100 L106 V109 | Q82-I96 HydrophobicContact CB-CG2 4.18Å; Q82-I96 HydrophobicContact CG-CG2 4.24Å; V85-I96 HydrophobicContact CG1-CD1 3.88Å; V85-I96 HydrophobicContact CG1-CG1 4.42Å; A86-I96 HydrophobicContact CB-CG1 3.95Å; R91-I96 HydrophobicContact CB-CD1 4.08Å; R91-I96 HydrophobicContact CB-CG1 4.38Å; S92-I96 PolarHBondContact O-N 2.83Å; V93-I96 WeakPolarHBondContact O-CB 3.29Å; V93-I96 PolarHBondContact O-N 3.18Å; V93-I96 VanDerWaalsContact O-N 3.14Å; I96-L100 WeakPolarHBondContact O-CB 3.23Å; I96-L100 PolarHBondContact O-N 3.17Å; I96-L106 HydrophobicContact CG2-CD1 3.71Å; I96-V109 HydrophobicContact CD1-CG1 3.91Å; I96-V109 HydrophobicContact CG2-CG1 4.08Å |
| 97 | K | 94.1 | Very high | 92 | Very high | 98 Ų | 98 | 52 Ų | 52 | 43% | 0.426 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 174.4 | -71.4 | 173.4 | -173 | 155.3 | 0 | 112.2 | V93 D94 L100 A101 | V93-K97 HydrophobicContact CG1-CD 4.41Å; V93-K97 HydrophobicContact CG1-CG 4.4Å; V93-K97 WeakPolarHBondContact O-CG 3.46Å; V93-K97 PolarHBondContact O-N 2.81Å; D94-K97 PolarHBondContact O-N 3.36Å; D94-K97 IonicContact OD1-NZ 2.68Å; D94-K97 PolarHBondContact OD1-NZ 2.65Å; K97-L100 PolarHBondContact O-N 2.82Å; K97-A101 WeakPolarHBondContact O-CB 3.41Å; K97-A101 PolarHBondContact O-N 2.87Å |
| 98 | A | 93.9 | Very high | 92.1 | Very high | 57 Ų | 57 | 50 Ų | 50 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -50 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D94 L100 A101 T102 | D94-A98 WeakPolarHBondContact O-CB 3.42Å; D94-A98 PolarHBondContact O-N 2.84Å; A98-L100 VanDerWaalsContact C-N 3.29Å; A98-L100 PolarHBondContact O-N 2.95Å; A98-A101 PolarHBondContact O-N 2.83Å; A98-T102 PolarHBondContact O-N 2.91Å; A98-T102 VanDerWaalsContact O-N 3.11Å; A98-T102 PolarHBondContact O-OG1 2.92Å |
| 99 | E | 93.5 | Very high | 92.2 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -32.6 | 174.9 | -73.8 | -162.6 | -163.6 | 0 | 0 | 112.7 | R91 V95 T102 K103 V109 K116 | R91-E99 IonicContact CZ-OE1 3.22Å; R91-E99 VanDerWaalsContact CZ-OE1 3.22Å; R91-E99 VanDerWaalsContact NH1-CD 3.27Å; R91-E99 IonicContact NH1-OE1 2.68Å; R91-E99 PolarHBondContact NH1-OE1 2.82Å; R91-E99 IonicContact NH1-OE2 2.59Å; R91-E99 PolarHBondContact NH1-OE2 2.71Å; R91-E99 IonicContact NH2-OE1 2.68Å; R91-E99 PolarHBondContact NH2-OE1 2.78Å; V95-E99 PolarHBondContact O-N 2.85Å; E99-T102 PolarHBondContact O-N 2.95Å; E99-K103 VanDerWaalsContact O-CB 3.28Å; E99-K103 WeakPolarHBondContact O-CB 3.49Å; E99-K103 WeakPolarHBondContact O-CG 3.37Å; E99-K103 PolarHBondContact O-N 2.68Å; E99-K103 IonicContact OE2-NZ 2.88Å; E99-K103 PolarHBondContact OE2-NZ 3.43Å; E99-V109 HydrophobicContact CB-CG1 4.1Å; E99-V109 HydrophobicContact CB-CG2 3.87Å; E99-K116 IonicContact OE1-NZ 3.89Å |
| 100 | L | 91.4 | Very high | 92.4 | Very high | 37 Ų | 37 | 48.6 Ų | 48.6 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -41.8 | 174.8 | 177.9 | 60.8 | 0 | 0 | 0 | 111.6 | Q82 I96 K97 A98 T102 K103 G104 L106 V109 | Q82-L100 HydrophobicContact CG-CD2 4.17Å; I96-L100 WeakPolarHBondContact O-CB 3.23Å; I96-L100 PolarHBondContact O-N 3.17Å; K97-L100 PolarHBondContact O-N 2.82Å; A98-L100 VanDerWaalsContact C-N 3.29Å; A98-L100 PolarHBondContact O-N 2.95Å; L100-T102 VanDerWaalsContact C-N 3.29Å; L100-T102 PolarHBondContact O-N 3.31Å; L100-K103 PolarHBondContact O-N 3.29Å; L100-G104 WeakPolarHBondContact O-CA 2.99Å; L100-G104 PolarHBondContact O-N 2.73Å; L100-L106 HydrophobicContact CD1-CB 3.97Å; L100-L106 HydrophobicContact CD2-CD1 4.43Å; L100-V109 HydrophobicContact CB-CG2 4.33Å |
| 101 | A | 85.3 | Confident | 92.7 | Very high | 90 Ų | 90 | 46.3 Ų | 46.3 | 74% | 0.744 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.2 | -35.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K97 A98 | K97-A101 WeakPolarHBondContact O-CB 3.41Å; K97-A101 PolarHBondContact O-N 2.87Å; A98-A101 PolarHBondContact O-N 2.83Å |
| 102 | T | 86.2 | Confident | 92.7 | Very high | 117 Ų | 117 | 44.6 Ų | 44.6 | 72% | 0.718 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -75.4 | -39.9 | 175 | -49.9 | 0 | 0 | 0 | 0 | 113.3 | A98 E99 L100 | A98-T102 PolarHBondContact O-N 2.91Å; A98-T102 VanDerWaalsContact O-N 3.11Å; A98-T102 PolarHBondContact O-OG1 2.92Å; E99-T102 PolarHBondContact O-N 2.95Å; L100-T102 VanDerWaalsContact C-N 3.29Å; L100-T102 PolarHBondContact O-N 3.31Å |
| 103 | K | 85 | Confident | 92.7 | Very high | 77 Ų | 77 | 41.6 Ų | 41.6 | 34% | 0.335 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -96.2 | -18.8 | -171.1 | -68.4 | 173.1 | 174.9 | 170.8 | 0 | 114.7 | E99 L100 D105 I108 V109 | E99-K103 VanDerWaalsContact O-CB 3.28Å; E99-K103 WeakPolarHBondContact O-CB 3.49Å; E99-K103 WeakPolarHBondContact O-CG 3.37Å; E99-K103 PolarHBondContact O-N 2.68Å; E99-K103 IonicContact OE2-NZ 2.88Å; E99-K103 PolarHBondContact OE2-NZ 3.43Å; L100-K103 PolarHBondContact O-N 3.29Å; K103-D105 PolarHBondContact O-N 2.81Å; K103-D105 VanDerWaalsContact O-N 3.09Å; K103-I108 HydrophobicContact CD-CG2 4.09Å; K103-V109 HydrophobicContact CB-CG2 4.38Å; K103-V109 HydrophobicContact CD-CG2 3.83Å |
| 104 | G | 83.2 | Confident | 92.5 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 28% | 0.278 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 65.6 | 3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L100 R178 | L100-G104 WeakPolarHBondContact O-CA 2.99Å; L100-G104 PolarHBondContact O-N 2.73Å; G104-R178 PolarHBondContact O-NH1 2.78Å; G104-R178 PolarHBondContact O-NH2 2.92Å |
| 105 | D | 88.6 | Confident | 92.2 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | trans | -142.2 | 112.5 | -171.3 | -165 | -61.3 | 0 | 0 | 0 | 113.6 | K103 G107 I108 V109 R171 R178 | K103-D105 PolarHBondContact O-N 2.81Å; K103-D105 VanDerWaalsContact O-N 3.09Å; D105-G107 VanDerWaalsContact C-N 3.28Å; D105-G107 PolarHBondContact O-N 2.93Å; D105-G107 VanDerWaalsContact OD1-CA 3.23Å; D105-G107 WeakPolarHBondContact OD1-CA 3.3Å; D105-G107 PolarHBondContact OD1-N 2.9Å; D105-I108 HydrophobicContact CB-CB 4.18Å; D105-I108 HydrophobicContact CB-CD1 3.86Å; D105-I108 HydrophobicContact CB-CG1 3.92Å; D105-I108 PolarHBondContact O-N 3.15Å; D105-I108 PolarHBondContact OD1-N 2.89Å; D105-V109 VanDerWaalsContact O-CG2 3.32Å; D105-V109 WeakPolarHBondContact O-CG2 3.27Å; D105-V109 PolarHBondContact O-N 3.33Å; D105-V109 VanDerWaalsContact O-N 3.09Å; D105-R171 IonicContact OD1-NE 2.66Å; D105-R171 PolarHBondContact OD1-NE 2.94Å; D105-R171 IonicContact OD1-NH2 3.83Å; D105-R171 IonicContact OD2-CZ 2.83Å; D105-R171 VanDerWaalsContact OD2-CZ 3.27Å; D105-R171 IonicContact OD2-NE 2.85Å; D105-R171 PolarHBondContact OD2-NE 3.29Å; D105-R171 IonicContact OD2-NH2 3.36Å; D105-R171 PolarHBondContact OD2-NH2 2.92Å; D105-R178 VanDerWaalsContact CA-NH1 3.27Å; D105-R178 VanDerWaalsContact CB-NH1 3.3Å; D105-R178 WeakPolarHBondContact OD2-CD 3.4Å; D105-R178 IonicContact OD2-CZ 3.19Å; D105-R178 IonicContact OD2-NE 2.8Å; D105-R178 IonicContact OD2-NH1 2.84Å; D105-R178 PolarHBondContact OD2-NH1 3.39Å | ||
| 106 | L | 93.1 | Very high | 91.8 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.1 | -24.1 | -179.3 | -171.2 | 60.8 | 0 | 0 | 0 | 112.7 | L81 Q82 I96 L100 V109 A110 V170 | L81-L106 HydrophobicContact CB-CD2 3.58Å; Q82-L106 HydrophobicContact CG-CD1 3.98Å; Q82-L106 HydrophobicContact CG-CD2 3.97Å; I96-L106 HydrophobicContact CG2-CD1 3.71Å; L100-L106 HydrophobicContact CD1-CB 3.97Å; L100-L106 HydrophobicContact CD2-CD1 4.43Å; L106-V109 HydrophobicContact CD1-CB 4.35Å; L106-V109 HydrophobicContact CD1-CG1 4.45Å; L106-A110 VanDerWaalsContact O-CB 3.23Å; L106-A110 WeakPolarHBondContact O-CB 3.21Å; L106-A110 PolarHBondContact O-N 3.33Å; L106-V170 HydrophobicContact CB-CG1 4.12Å; L106-V170 HydrophobicContact CD2-CG1 4.1Å; L106-V170 HydrophobicContact CG-CG1 3.79Å |
| 107 | G | 95 | Very high | 91.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -47.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D105 V109 A110 E111 R167 | D105-G107 VanDerWaalsContact C-N 3.28Å; D105-G107 PolarHBondContact O-N 2.93Å; D105-G107 VanDerWaalsContact OD1-CA 3.23Å; D105-G107 WeakPolarHBondContact OD1-CA 3.3Å; D105-G107 PolarHBondContact OD1-N 2.9Å; G107-V109 VanDerWaalsContact C-N 3.28Å; G107-V109 PolarHBondContact O-N 2.84Å; G107-A110 PolarHBondContact O-N 2.86Å; G107-A110 VanDerWaalsContact O-N 3.1Å; G107-E111 PolarHBondContact O-N 2.83Å; G107-R167 WeakPolarHBondContact CA-O 3.37Å; G107-R167 WeakPolarHBondContact O-CA 3.28Å |
| 108 | I | 94.6 | Very high | 89.9 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 28% | 0.277 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.7 | -35.1 | 176.4 | -56.7 | 177.1 | 0 | 0 | 0 | 110.8 | K103 D105 G112 R167 | K103-I108 HydrophobicContact CD-CG2 4.09Å; D105-I108 HydrophobicContact CB-CB 4.18Å; D105-I108 HydrophobicContact CB-CD1 3.86Å; D105-I108 HydrophobicContact CB-CG1 3.92Å; D105-I108 PolarHBondContact O-N 3.15Å; D105-I108 PolarHBondContact OD1-N 2.89Å; I108-G112 PolarHBondContact O-N 3.13Å; I108-G112 VanDerWaalsContact O-N 3.07Å; I108-R167 HydrophobicContact CG1-CG 4.38Å |
| 109 | V | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | 170.5 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | I96 E99 L100 K103 D105 L106 G107 S113 | I96-V109 HydrophobicContact CD1-CG1 3.91Å; I96-V109 HydrophobicContact CG2-CG1 4.08Å; E99-V109 HydrophobicContact CB-CG1 4.1Å; E99-V109 HydrophobicContact CB-CG2 3.87Å; L100-V109 HydrophobicContact CB-CG2 4.33Å; K103-V109 HydrophobicContact CB-CG2 4.38Å; K103-V109 HydrophobicContact CD-CG2 3.83Å; D105-V109 VanDerWaalsContact O-CG2 3.32Å; D105-V109 WeakPolarHBondContact O-CG2 3.27Å; D105-V109 PolarHBondContact O-N 3.33Å; D105-V109 VanDerWaalsContact O-N 3.09Å; L106-V109 HydrophobicContact CD1-CB 4.35Å; L106-V109 HydrophobicContact CD1-CG1 4.45Å; G107-V109 VanDerWaalsContact C-N 3.28Å; G107-V109 PolarHBondContact O-N 2.84Å; V109-S113 WeakPolarHBondContact O-CB 3.34Å; V109-S113 PolarHBondContact O-N 3.5Å; V109-S113 PolarHBondContact O-OG 3Å |
| 110 | A | 96.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.5 | -45.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V85 L106 G107 S113 R114 V170 | V85-A110 HydrophobicContact CG1-CB 4.05Å; V85-A110 HydrophobicContact CG2-CB 3.88Å; L106-A110 VanDerWaalsContact O-CB 3.23Å; L106-A110 WeakPolarHBondContact O-CB 3.21Å; L106-A110 PolarHBondContact O-N 3.33Å; G107-A110 PolarHBondContact O-N 2.86Å; G107-A110 VanDerWaalsContact O-N 3.1Å; A110-S113 PolarHBondContact O-N 2.99Å; A110-R114 VanDerWaalsContact O-CB 3.31Å; A110-R114 WeakPolarHBondContact O-CB 3.37Å; A110-R114 PolarHBondContact O-N 3.22Å; A110-V170 HydrophobicContact CB-CB 4.11Å; A110-V170 HydrophobicContact CB-CG1 4.32Å; A110-V170 HydrophobicContact CB-CG2 3.63Å |
| 111 | E | 96.3 | Very high | 86.3 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.1 | -53.8 | 171.9 | 172.7 | -176.2 | -163.8 | 0 | 0 | 111.7 | G107 S113 R114 N115 A166 R167 | G107-E111 PolarHBondContact O-N 2.83Å; E111-S113 PolarHBondContact O-N 3.1Å; E111-R114 PolarHBondContact O-N 3.43Å; E111-N115 WeakPolarHBondContact CG-ND2 3.06Å; E111-N115 PolarHBondContact O-N 3.3Å; E111-A166 HydrophobicContact CB-CB 4.44Å; E111-R167 HydrophobicContact CB-CB 4.17Å; E111-R167 IonicContact OE1-NH2 3.15Å; E111-R167 PolarHBondContact OE1-NH2 2.84Å; E111-R167 IonicContact OE2-CZ 2.8Å; E111-R167 IonicContact OE2-NE 2.71Å; E111-R167 PolarHBondContact OE2-NE 3.05Å; E111-R167 IonicContact OE2-NH2 2.84Å; E111-R167 PolarHBondContact OE2-NH2 2.87Å |
| 112 | G | 95 | Very high | 85.4 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.7 | -25.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I108 K116 | I108-G112 PolarHBondContact O-N 3.13Å; I108-G112 VanDerWaalsContact O-N 3.07Å; G112-K116 VanDerWaalsContact O-CD 3.25Å; G112-K116 WeakPolarHBondContact O-CD 3.31Å; G112-K116 WeakPolarHBondContact O-CE 3.41Å; G112-K116 VanDerWaalsContact O-CG 3.26Å; G112-K116 WeakPolarHBondContact O-CG 3.3Å |
| 113 | S | 95 | Very high | 85 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -81.5 | -36.7 | 172.9 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | R91 V109 A110 E111 | R91-S113 WeakPolarHBondContact CD-OG 3.23Å; R91-S113 PolarHBondContact NH1-OG 2.8Å; V109-S113 WeakPolarHBondContact O-CB 3.34Å; V109-S113 PolarHBondContact O-N 3.5Å; V109-S113 PolarHBondContact O-OG 3Å; A110-S113 PolarHBondContact O-N 2.99Å; E111-S113 PolarHBondContact O-N 3.1Å |
| 114 | R | 91.8 | Very high | 85 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 9% | 0.087 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.6 | -45.9 | 179.1 | -92.3 | -72.5 | 175.5 | -121.7 | 6 | 112.6 | C88 T89 A110 E111 K116 Q117 I158 A166 | C88-R114 VanDerWaalsContact O-CZ 3.32Å; C88-R114 PolarHBondContact O-NH1 2.74Å; C88-R114 PolarHBondContact O-NH2 3.4Å; C88-R114 PolarHBondContact SG-NH2 2.86Å; T89-R114 HydrophobicContact CG2-CG 4.07Å; A110-R114 VanDerWaalsContact O-CB 3.31Å; A110-R114 WeakPolarHBondContact O-CB 3.37Å; A110-R114 PolarHBondContact O-N 3.22Å; E111-R114 PolarHBondContact O-N 3.43Å; R114-K116 PolarHBondContact O-N 3.42Å; R114-K116 VanDerWaalsContact O-N 3.15Å; R114-Q117 PolarHBondContact O-N 3.19Å; R114-I158 HydrophobicContact CG-CG2 4.27Å; R114-I158 PolarHBondContact NE-O 3.5Å; R114-A166 HydrophobicContact CB-CB 4.17Å; R114-A166 HydrophobicContact CG-CB 4.06Å |
| 115 | N | 91 | Very high | 85.3 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14.7 | -179.1 | -64.9 | -18.5 | 0 | 0 | 0 | 113.3 | E111 G163 | E111-N115 WeakPolarHBondContact CG-ND2 3.06Å; E111-N115 PolarHBondContact O-N 3.3Å; N115-G163 WeakPolarHBondContact OD1-CA 3.44Å |
| 116 | K | 87.1 | Confident | 85.6 | Confident | 144 Ų | 144 | 74.8 Ų | 74.8 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -16.7 | 172.8 | -72.2 | 174.7 | -174.2 | 179.4 | 0 | 113.8 | E99 G112 R114 | E99-K116 IonicContact OE1-NZ 3.89Å; G112-K116 VanDerWaalsContact O-CD 3.25Å; G112-K116 WeakPolarHBondContact O-CD 3.31Å; G112-K116 WeakPolarHBondContact O-CE 3.41Å; G112-K116 VanDerWaalsContact O-CG 3.26Å; G112-K116 WeakPolarHBondContact O-CG 3.3Å; R114-K116 PolarHBondContact O-N 3.42Å; R114-K116 VanDerWaalsContact O-N 3.15Å |
| 117 | Q | 81.3 | Confident | 85.8 | Confident | 83 Ų | 83 | 75.2 Ų | 75.2 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -85 | 130.1 | -178 | -178.4 | 170.2 | -16.7 | 0 | 0 | 110.9 | C88 R114 T119 | C88-Q117 PolarHBondContact O-OE1 3.46Å; R114-Q117 PolarHBondContact O-N 3.19Å; Q117-T119 PolarHBondContact O-N 2.92Å |
| 118 | R | 69 | Low | 85.9 | Confident | 235 Ų | 235 | 75.2 Ų | 75.2 | 89% | 0.887 | 37% | 0.372 | S | S | * | . | trans | -71.2 | 110.9 | 169.5 | -68.2 | -172.6 | 178.4 | -161.3 | -0.3 | 109.8 | ||||
| 119 | T | 68 | Low | 86 | Confident | 107 Ų | 107 | 74 Ų | 74 | 66% | 0.656 | 37% | 0.368 | S | S | * | . | trans | -79.9 | 116.8 | 174 | -40.6 | 0 | 0 | 0 | 0 | 109.5 | Q117 F121 | Q117-T119 PolarHBondContact O-N 2.92Å; T119-F121 WeakPolarHBondContact CG2-O 3.26Å | ||
| 120 | I | 66 | Low | 86 | Confident | 148 Ų | 148 | 74.9 Ų | 74.9 | 76% | 0.759 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -77 | -27.2 | -176.7 | -58.3 | 173.5 | 0 | 0 | 0 | 111.8 | ||
| 121 | F | 69.9 | Low | 86.1 | Confident | 170 Ų | 170 | 74.9 Ų | 74.9 | 75% | 0.746 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -131.6 | 137.9 | -178.1 | -60.7 | -77.3 | 0 | 0 | 0 | 111.2 | T119 S123 | T119-F121 WeakPolarHBondContact CG2-O 3.26Å; F121-S123 PolarHBondContact O-N 3.26Å |
| 122 | S | 66.2 | Low | 86.2 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 85% | 0.846 | 37% | 0.374 | S | S | * | . | trans | -72 | 108.7 | 170.7 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 123 | S | 76.8 | Confident | 86.3 | Confident | 34 Ų | 34 | 76.8 Ų | 76.8 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 150.4 | 169.8 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | F121 | F121-S123 PolarHBondContact O-N 3.26Š|
| 124 | R | 85.1 | Confident | 86.4 | Confident | 217 Ų | 217 | 80.7 Ų | 80.7 | 82% | 0.819 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 133.4 | 167.5 | -173 | 176.7 | -174.6 | 166.8 | 4.4 | 109.2 | ||
| 125 | P | 89.8 | Confident | 86.6 | Confident | 68 Ų | 68 | 79.7 Ų | 79.7 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -53 | 141.9 | -179.5 | -29.1 | 35.4 | 0 | 0 | 0 | 112.7 | ||
| 126 | L | 94.9 | Very high | 86.9 | Confident | 10 Ų | 10 | 77.8 Ų | 77.8 | 5% | 0.052 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 138.1 | 168.5 | -175 | 58.8 | 0 | 0 | 0 | 108.3 | P15 Y16 L131 L157 V160 V169 | P15-L126 CarbonylContact C-O 3.54Å; P15-L126 WeakPolarHBondContact CA-O 3.09Å; Y16-L126 HydrophobicContact CD1-CD2 3.81Å; Y16-L126 HydrophobicContact CD1-CG 4.42Å; Y16-L126 HydrophobicContact CG-CD2 4.22Å; Y16-L126 HydrophobicContact CG-CG 4.4Å; Y16-L126 PolarHBondContact N-O 2.83Å; L126-L131 HydrophobicContact CD1-CB 4.15Å; L126-L131 HydrophobicContact CD2-CB 4.41Å; L126-L131 HydrophobicContact CG-CB 4.32Å; L126-L157 HydrophobicContact CD1-CD2 4.07Å; L126-V160 HydrophobicContact CB-CG2 4.27Å; L126-V160 HydrophobicContact CD1-CG2 4.21Å; L126-V169 HydrophobicContact CD2-CG2 3.9Å |
| 127 | T | 97 | Very high | 87.3 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 14% | 0.141 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -117 | 154.3 | 178.9 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | R13 T14 G130 L131 | R13-T127 HydrophobicContact CB-CG2 3.81Å; T14-T127 CarbonylContact O-C 3.51Å; T14-T127 VanDerWaalsContact O-CA 3.26Å; T14-T127 WeakPolarHBondContact O-CA 3.46Å; T14-T127 WeakPolarHBondContact O-CB 3.45Å; T127-G130 CarbonylContact O-C 3.55Å; T127-G130 WeakPolarHBondContact O-CA 3.26Å; T127-G130 PolarHBondContact O-N 2.86Å; T127-G130 PolarHBondContact OG1-N 2.74Å; T127-L131 PolarHBondContact O-N 2.82Å |
| 128 | I | 97.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.3 | -58.5 | -176 | -60.6 | -175.7 | 0 | 0 | 0 | 110.8 | T14 Y16 L19 F42 I46 D53 P56 C57 L60 G130 L131 F132 | T14-I128 HydrophobicContact CG2-CD1 3.58Å; T14-I128 HydrophobicContact CG2-CG1 4.22Å; T14-I128 PolarHBondContact O-N 3.34Å; Y16-I128 HydrophobicContact CD2-CG1 4.37Å; L19-I128 HydrophobicContact CB-CD1 3.9Å; L19-I128 HydrophobicContact CB-CG1 4.47Å; L19-I128 HydrophobicContact CD2-CD1 4.43Å; F42-I128 HydrophobicContact CZ-CD1 4.17Å; I46-I128 HydrophobicContact CD1-CD1 4.5Å; D53-I128 HydrophobicContact CB-CB 4.41Å; D53-I128 HydrophobicContact CB-CG2 4.47Å; P56-I128 HydrophobicContact CB-CG2 3.72Å; C57-I128 WeakPolarHBondContact SG-CD1 3.22Å; L60-I128 HydrophobicContact CD1-CG2 3.81Å; I128-G130 PolarHBondContact O-N 3.01Å; I128-L131 PolarHBondContact O-N 2.78Å; I128-F132 WeakPolarHBondContact O-CB 3.4Å; I128-F132 PolarHBondContact O-N 3.04Å |
| 129 | S | 96.1 | Very high | 89.1 | Confident | 29 Ų | 29 | 59 Ų | 59 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.2 | -34.7 | 171.6 | -76.7 | 0 | 0 | 0 | 0 | 113.7 | D53 S133 | D53-S129 WeakPolarHBondContact OD1-CB 3.45Å; D53-S129 PolarHBondContact OD1-N 3.13Å; D53-S129 PolarHBondContact OD1-OG 3.15Å; S129-S133 WeakPolarHBondContact O-CB 3.46Å; S129-S133 PolarHBondContact O-N 3.23Å |
| 130 | G | 96.2 | Very high | 90.3 | Very high | 19 Ų | 19 | 60.5 Ų | 60.5 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69 | -42.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T127 I128 K134 | T127-G130 CarbonylContact O-C 3.55Å; T127-G130 WeakPolarHBondContact O-CA 3.26Å; T127-G130 PolarHBondContact O-N 2.86Å; T127-G130 PolarHBondContact OG1-N 2.74Å; I128-G130 PolarHBondContact O-N 3.01Å; G130-K134 WeakPolarHBondContact O-CG 3.38Å; G130-K134 PolarHBondContact O-N 3.48Å |
| 131 | L | 97.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -52.6 | 171.6 | 172.1 | 61.5 | 0 | 0 | 0 | 110.2 | Y16 L60 L126 T127 I128 S133 K134 L135 L157 V169 | Y16-L131 HydrophobicContact CD1-CD2 4.17Å; Y16-L131 HydrophobicContact CD2-CD2 3.54Å; Y16-L131 HydrophobicContact CE1-CD2 3.92Å; Y16-L131 HydrophobicContact CE2-CD2 3.24Å; Y16-L131 HydrophobicContact CG-CD2 3.98Å; Y16-L131 VanDerWaalsContact CZ-CD2 3.42Å; L60-L131 HydrophobicContact CD1-CD2 4.21Å; L60-L131 HydrophobicContact CD2-CD2 3.91Å; L60-L131 HydrophobicContact CD2-CG 4.28Å; L126-L131 HydrophobicContact CD1-CB 4.15Å; L126-L131 HydrophobicContact CD2-CB 4.41Å; L126-L131 HydrophobicContact CG-CB 4.32Å; T127-L131 PolarHBondContact O-N 2.82Å; I128-L131 PolarHBondContact O-N 2.78Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 3.14Å; L131-K134 WeakPolarHBondContact O-CA 3.2Å; L131-K134 WeakPolarHBondContact O-CB 3.41Å; L131-K134 PolarHBondContact O-N 2.93Å; L131-L135 HydrophobicContact CD1-CD1 4.03Å; L131-L135 HydrophobicContact CD1-CD2 4.37Å; L131-L135 HydrophobicContact CD1-CG 3.98Å; L131-L135 HydrophobicContact CG-CD1 3.98Å; L131-L135 HydrophobicContact CG-CG 4.32Å; L131-L135 WeakPolarHBondContact O-CG 3.43Å; L131-L135 PolarHBondContact O-N 2.93Å; L131-L157 HydrophobicContact CD1-CD1 3.95Å; L131-L157 HydrophobicContact CD1-CD2 3.62Å; L131-L157 HydrophobicContact CD1-CG 4.39Å; L131-V169 HydrophobicContact CD1-CG1 4.49Å; L131-V169 HydrophobicContact CD1-CG2 3.93Å; L131-V169 HydrophobicContact CD2-CG2 4.01Å |
| 132 | F | 97.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.053 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | -174.8 | -169.2 | -118.1 | 0 | 0 | 0 | 112.6 | P56 Y59 L60 L65 I128 K134 L135 K136 | P56-F132 HydrophobicContact CB-CB 3.93Å; P56-F132 HydrophobicContact CB-CD1 3.87Å; P56-F132 HydrophobicContact CB-CG 3.93Å; P56-F132 HydrophobicContact CG-CD1 3.85Å; P56-F132 HydrophobicContact CG-CE1 4.43Å; P56-F132 HydrophobicContact CG-CG 4.4Å; Y59-F132 VanDerWaalsContact CB-CE2 3.48Å; Y59-F132 HydrophobicContact CD2-CE1 4.18Å; Y59-F132 HydrophobicContact CD2-CE2 4.32Å; Y59-F132 AromaticContact CD2-CZ 3.53Å; Y59-F132 HydrophobicContact CD2-CZ 3.53Å; Y59-F132 HydrophobicContact CG-CE2 4.21Å; Y59-F132 AromaticContact CG-CZ 3.86Å; Y59-F132 HydrophobicContact CG-CZ 3.86Å; L60-F132 HydrophobicContact CD2-CD2 4.39Å; L60-F132 HydrophobicContact CG-CD2 4.23Å; L65-F132 HydrophobicContact CD2-CD2 4.49Å; L65-F132 HydrophobicContact CD2-CE2 4.13Å; I128-F132 WeakPolarHBondContact O-CB 3.4Å; I128-F132 PolarHBondContact O-N 3.04Å; F132-K134 PolarHBondContact O-N 2.82Å; F132-L135 PolarHBondContact O-N 3.32Å; F132-K136 HydrophobicContact CD1-CD 4.38Å; F132-K136 HydrophobicContact CE1-CD 3.92Å; F132-K136 VanDerWaalsContact CE1-CE 3.49Å; F132-K136 HydrophobicContact CE1-CG 4.48Å; F132-K136 HydrophobicContact CZ-CD 4.27Å; F132-K136 HydrophobicContact CZ-CG 4.5Å; F132-K136 PolarHBondContact O-N 3.04Å |
| 133 | S | 97 | Very high | 93.4 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 54% | 0.538 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 172.4 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | S129 L131 K136 S137 | S129-S133 WeakPolarHBondContact O-CB 3.46Å; S129-S133 PolarHBondContact O-N 3.23Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-S133 PolarHBondContact O-N 3.14Å; S133-K136 PolarHBondContact O-N 3.34Å; S133-S137 WeakPolarHBondContact O-CB 3.25Å; S133-S137 PolarHBondContact O-N 2.94Å |
| 134 | K | 97.3 | Very high | 93.8 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 37% | 0.365 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 175.8 | -76.4 | 179.7 | 171.8 | -170.5 | 0 | 112.4 | G130 L131 F132 S137 I138 I153 L157 | G130-K134 WeakPolarHBondContact O-CG 3.38Å; G130-K134 PolarHBondContact O-N 3.48Å; L131-K134 WeakPolarHBondContact O-CA 3.2Å; L131-K134 WeakPolarHBondContact O-CB 3.41Å; L131-K134 PolarHBondContact O-N 2.93Å; F132-K134 PolarHBondContact O-N 2.82Å; K134-S137 WeakPolarHBondContact O-CB 3.44Å; K134-S137 PolarHBondContact O-N 3.31Å; K134-I138 WeakPolarHBondContact O-CG1 3.37Å; K134-I138 PolarHBondContact O-N 3.33Å; K134-I153 HydrophobicContact CB-CG2 4.07Å; K134-I153 HydrophobicContact CG-CG2 4.35Å; K134-L157 HydrophobicContact CB-CD1 4.13Å; K134-L157 HydrophobicContact CB-CD2 4.02Å; K134-L157 HydrophobicContact CB-CG 4.28Å; K134-L157 HydrophobicContact CD-CD2 3.42Å; K134-L157 VanDerWaalsContact CD-CD2 3.42Å; K134-L157 HydrophobicContact CD-CG 3.89Å; K134-L157 HydrophobicContact CG-CD2 4.35Å |
| 135 | L | 97.4 | Very high | 94 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 174.1 | -66.2 | 175.6 | 0 | 0 | 0 | 111.8 | L60 L65 L74 L131 F132 S137 I138 A139 L157 C172 L173 | L60-L135 HydrophobicContact CD2-CD1 3.62Å; L65-L135 HydrophobicContact CD2-CB 3.65Å; L65-L135 HydrophobicContact CD2-CD1 4.31Å; L74-L135 HydrophobicContact CD1-CD2 4.22Å; L74-L135 HydrophobicContact CD2-CB 4.17Å; L74-L135 HydrophobicContact CD2-CD2 4.11Å; L74-L135 WeakPolarHBondContact CD2-O 3.18Å; L131-L135 HydrophobicContact CD1-CD1 4.03Å; L131-L135 HydrophobicContact CD1-CD2 4.37Å; L131-L135 HydrophobicContact CD1-CG 3.98Å; L131-L135 HydrophobicContact CG-CD1 3.98Å; L131-L135 HydrophobicContact CG-CG 4.32Å; L131-L135 WeakPolarHBondContact O-CG 3.43Å; L131-L135 PolarHBondContact O-N 2.93Å; F132-L135 PolarHBondContact O-N 3.32Å; L135-S137 PolarHBondContact O-N 3.41Å; L135-I138 WeakPolarHBondContact O-CB 3.36Å; L135-I138 PolarHBondContact O-N 3.46Å; L135-I138 VanDerWaalsContact O-N 3.15Å; L135-A139 PolarHBondContact O-N 3.15Å; L135-L157 HydrophobicContact CD2-CD1 4.32Å; L135-C172 HydrophobicContact CD1-CB 4.2Å; L135-L173 HydrophobicContact CD2-CD2 3.6Å; L135-L173 HydrophobicContact CD2-CG 4.11Å |
| 136 | K | 96.3 | Very high | 94 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 22% | 0.217 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.3 | -37.3 | 171.1 | -81.8 | -172.4 | 165.6 | -178.1 | 0 | 111.9 | L65 F132 S133 K140 | L65-K136 WeakPolarHBondContact O-CE 3.34Å; F132-K136 HydrophobicContact CD1-CD 4.38Å; F132-K136 HydrophobicContact CE1-CD 3.92Å; F132-K136 VanDerWaalsContact CE1-CE 3.49Å; F132-K136 HydrophobicContact CE1-CG 4.48Å; F132-K136 HydrophobicContact CZ-CD 4.27Å; F132-K136 HydrophobicContact CZ-CG 4.5Å; F132-K136 PolarHBondContact O-N 3.04Å; S133-K136 PolarHBondContact O-N 3.34Å; K136-K140 VanDerWaalsContact O-CG 3.31Å; K136-K140 WeakPolarHBondContact O-CG 3.43Å; K136-K140 PolarHBondContact O-N 2.77Å |
| 137 | S | 95.3 | Very high | 93.8 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 175.9 | -173.8 | 0 | 0 | 0 | 0 | 113 | S133 K134 L135 K140 Q141 | S133-S137 WeakPolarHBondContact O-CB 3.25Å; S133-S137 PolarHBondContact O-N 2.94Å; K134-S137 WeakPolarHBondContact O-CB 3.44Å; K134-S137 PolarHBondContact O-N 3.31Å; L135-S137 PolarHBondContact O-N 3.41Å; S137-K140 PolarHBondContact O-N 3.05Å; S137-Q141 WeakPolarHBondContact O-CG 3.5Å; S137-Q141 PolarHBondContact O-N 2.79Å; S137-Q141 PolarHBondContact O-NE2 3.18Å |
| 138 | I | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -51.1 | 173.3 | -72.9 | 170.8 | 0 | 0 | 0 | 110.7 | L74 I76 K134 L135 K140 Q141 K150 I153 L157 L173 | L74-I138 HydrophobicContact CB-CG2 4.27Å; L74-I138 HydrophobicContact CD2-CB 3.91Å; L74-I138 HydrophobicContact CD2-CG2 3.63Å; I76-I138 HydrophobicContact CD1-CD1 4.38Å; I76-I138 HydrophobicContact CD1-CG2 3.75Å; I76-I138 HydrophobicContact CG1-CG2 4.1Å; K134-I138 WeakPolarHBondContact O-CG1 3.37Å; K134-I138 PolarHBondContact O-N 3.33Å; L135-I138 WeakPolarHBondContact O-CB 3.36Å; L135-I138 PolarHBondContact O-N 3.46Å; L135-I138 VanDerWaalsContact O-N 3.15Å; I138-K140 PolarHBondContact O-N 3.35Å; I138-Q141 WeakPolarHBondContact O-CB 3.44Å; I138-Q141 PolarHBondContact O-N 2.79Å; I138-K150 HydrophobicContact CG2-CB 4.28Å; I138-K150 HydrophobicContact CG2-CD 4.04Å; I138-K150 HydrophobicContact CG2-CG 3.91Å; I138-K150 VanDerWaalsContact O-CE 3.31Å; I138-K150 WeakPolarHBondContact O-CE 3.37Å; I138-I153 HydrophobicContact CD1-CB 4.15Å; I138-I153 HydrophobicContact CD1-CG2 3.78Å; I138-I153 HydrophobicContact CG1-CB 3.91Å; I138-I153 HydrophobicContact CG1-CD1 4.04Å; I138-I153 HydrophobicContact CG1-CG2 3.72Å; I138-L157 HydrophobicContact CD1-CD1 4.3Å; I138-L173 HydrophobicContact CD1-CD2 3.7Å |
| 139 | A | 93.7 | Very high | 93.3 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -32.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L65 L72 E73 L74 L135 Q141 | L65-A139 HydrophobicContact CD1-CB 3.52Å; L72-A139 HydrophobicContact CB-CB 4.48Å; E73-A139 WeakPolarHBondContact O-CA 3.36Å; E73-A139 WeakPolarHBondContact O-CB 3.06Å; L74-A139 HydrophobicContact CD2-CB 4.4Å; L135-A139 PolarHBondContact O-N 3.15Å; A139-Q141 VanDerWaalsContact C-N 3.34Å; A139-Q141 PolarHBondContact O-N 3.14Å |
| 140 | K | 93.3 | Very high | 93.2 | Very high | 138 Ų | 138 | 56.1 Ų | 56.1 | 60% | 0.6 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -3.2 | 176.3 | -68 | 178.1 | -179.3 | -170.4 | 0 | 114.5 | K136 S137 I138 T142 | K136-K140 VanDerWaalsContact O-CG 3.31Å; K136-K140 WeakPolarHBondContact O-CG 3.43Å; K136-K140 PolarHBondContact O-N 2.77Å; S137-K140 PolarHBondContact O-N 3.05Å; I138-K140 PolarHBondContact O-N 3.35Å; K140-T142 PolarHBondContact O-N 3.21Å |
| 141 | Q | 91.7 | Very high | 93 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 20% | 0.201 | 32% | 0.322 | C | S | . | . | trans | -74.1 | 117 | 176.3 | -64.4 | -50.2 | -61.9 | 0 | 0 | 111.9 | S137 I138 A139 K149 K150 I153 | S137-Q141 WeakPolarHBondContact O-CG 3.5Å; S137-Q141 PolarHBondContact O-N 2.79Å; S137-Q141 PolarHBondContact O-NE2 3.18Å; I138-Q141 WeakPolarHBondContact O-CB 3.44Å; I138-Q141 PolarHBondContact O-N 2.79Å; A139-Q141 VanDerWaalsContact C-N 3.34Å; A139-Q141 PolarHBondContact O-N 3.14Å; Q141-K149 HydrophobicContact CG-CB 4.27Å; Q141-K150 HydrophobicContact CB-CG 3.92Å; Q141-K150 HydrophobicContact CG-CG 4.11Å; Q141-I153 HydrophobicContact CG-CD1 4.48Å | ||
| 142 | T | 87.6 | Confident | 92.9 | Very high | 117 Ų | 117 | 60.7 Ų | 60.7 | 72% | 0.718 | 35% | 0.345 | S | S | * | . | trans | -124.2 | 172.4 | 176 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | K140 | K140-T142 PolarHBondContact O-N 3.21Š| ||
| 143 | G | 88.4 | Confident | 92.7 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 83.2 | 177.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S145 S146 | G143-S145 PolarHBondContact O-N 3.37Å; G143-S146 WeakPolarHBondContact O-CB 3.5Å; G143-S146 PolarHBondContact O-N 3.19Å; G143-S146 VanDerWaalsContact O-N 3.11Å; G143-S146 PolarHBondContact O-OG 3.42Å |
| 144 | S | 85.4 | Confident | 92.6 | Very high | 133 Ų | 133 | 58.4 Ų | 58.4 | 93% | 0.93 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -37.2 | -170.5 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | S146 | S144-S146 VanDerWaalsContact C-N 3.32Å; S144-S146 PolarHBondContact O-N 2.92Å |
| 145 | S | 87.9 | Confident | 92.5 | Very high | 48 Ų | 48 | 56.7 Ų | 56.7 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -1.9 | 178.9 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | G143 M147 N148 K149 | G143-S145 PolarHBondContact O-N 3.37Å; S145-M147 PolarHBondContact O-N 3.01Å; S145-N148 PolarHBondContact O-N 3.11Å; S145-K149 PolarHBondContact O-N 2.95Å; S145-K149 WeakPolarHBondContact OG-CE 3.43Å; S145-K149 PolarHBondContact OG-NZ 2.87Å |
| 146 | S | 90.4 | Very high | 92.3 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.6 | -48.6 | -171.5 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | G143 S144 N148 K149 K150 | G143-S146 WeakPolarHBondContact O-CB 3.5Å; G143-S146 PolarHBondContact O-N 3.19Å; G143-S146 VanDerWaalsContact O-N 3.11Å; G143-S146 PolarHBondContact O-OG 3.42Å; S144-S146 VanDerWaalsContact C-N 3.32Å; S144-S146 PolarHBondContact O-N 2.92Å; S146-N148 VanDerWaalsContact C-N 3.32Å; S146-N148 PolarHBondContact O-N 2.79Å; S146-K149 WeakPolarHBondContact O-CB 3.39Å; S146-K149 PolarHBondContact O-N 3.04Å; S146-K149 VanDerWaalsContact O-N 3.09Å; S146-K150 WeakPolarHBondContact O-CG 3.49Å; S146-K150 PolarHBondContact O-N 3.43Å |
| 147 | M | 90.4 | Very high | 92.2 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | -177.5 | -68.2 | -54.3 | -61.2 | 0 | 0 | 113.4 | T80 S145 K150 L151 | T80-M147 HydrophobicContact CG2-CE 4.41Å; S145-M147 PolarHBondContact O-N 3.01Å; M147-K150 PolarHBondContact O-N 3.08Å; M147-K150 HydrophobicContact SD-CD 4.21Å; M147-L151 WeakPolarHBondContact O-CB 3.47Å; M147-L151 PolarHBondContact O-N 3.21Å |
| 148 | N | 91.7 | Very high | 92.1 | Very high | 118 Ų | 118 | 53 Ų | 53 | 63% | 0.631 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.7 | -41.7 | 175.1 | -70.8 | -15.2 | 0 | 0 | 0 | 111.1 | S145 S146 L151 E152 | S145-N148 PolarHBondContact O-N 3.11Å; S146-N148 VanDerWaalsContact C-N 3.32Å; S146-N148 PolarHBondContact O-N 2.79Å; N148-L151 PolarHBondContact O-N 2.68Å; N148-E152 PolarHBondContact O-N 2.82Å |
| 149 | K | 93.1 | Very high | 91.9 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.1 | -65.1 | 177.2 | -178.6 | 174.7 | 0 | 111.9 | Q141 S145 S146 L151 E152 I153 | Q141-K149 HydrophobicContact CG-CB 4.27Å; S145-K149 PolarHBondContact O-N 2.95Å; S145-K149 WeakPolarHBondContact OG-CE 3.43Å; S145-K149 PolarHBondContact OG-NZ 2.87Å; S146-K149 WeakPolarHBondContact O-CB 3.39Å; S146-K149 PolarHBondContact O-N 3.04Å; S146-K149 VanDerWaalsContact O-N 3.09Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 2.68Å; K149-E152 PolarHBondContact O-N 3.23Å; K149-I153 VanDerWaalsContact O-CG1 3.3Å; K149-I153 WeakPolarHBondContact O-CG1 3.36Å; K149-I153 PolarHBondContact O-N 2.91Å |
| 150 | K | 93.7 | Very high | 91.8 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 8% | 0.078 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 175 | -66.8 | -173.6 | -174.5 | -168.9 | 0 | 111.5 | L74 G75 I76 I138 Q141 S146 M147 T154 | L74-K150 WeakPolarHBondContact O-CE 3.34Å; L74-K150 PolarHBondContact O-NZ 2.83Å; G75-K150 PolarHBondContact O-NZ 2.82Å; G75-K150 VanDerWaalsContact O-NZ 3.1Å; I76-K150 HydrophobicContact CG1-CB 4.42Å; I76-K150 HydrophobicContact CG1-CD 4.24Å; I138-K150 HydrophobicContact CG2-CB 4.28Å; I138-K150 HydrophobicContact CG2-CD 4.04Å; I138-K150 HydrophobicContact CG2-CG 3.91Å; I138-K150 VanDerWaalsContact O-CE 3.31Å; I138-K150 WeakPolarHBondContact O-CE 3.37Å; Q141-K150 HydrophobicContact CB-CG 3.92Å; Q141-K150 HydrophobicContact CG-CG 4.11Å; S146-K150 WeakPolarHBondContact O-CG 3.49Å; S146-K150 PolarHBondContact O-N 3.43Å; M147-K150 PolarHBondContact O-N 3.08Å; M147-K150 HydrophobicContact SD-CD 4.21Å; K150-T154 VanDerWaalsContact O-CB 3.27Å; K150-T154 WeakPolarHBondContact O-CB 3.48Å; K150-T154 PolarHBondContact O-N 3.07Å; K150-T154 PolarHBondContact O-OG1 2.89Å |
| 151 | L | 92.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 175.9 | 176.6 | 59.6 | 0 | 0 | 0 | 112 | T80 K83 A84 M147 N148 K149 T154 K155 | T80-L151 HydrophobicContact CG2-CB 4.33Å; T80-L151 HydrophobicContact CG2-CD1 4.11Å; K83-L151 HydrophobicContact CD-CD2 4.47Å; A84-L151 HydrophobicContact CB-CD1 3.59Å; M147-L151 WeakPolarHBondContact O-CB 3.47Å; M147-L151 PolarHBondContact O-N 3.21Å; N148-L151 PolarHBondContact O-N 2.68Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 2.68Å; L151-T154 WeakPolarHBondContact O-CB 3.33Å; L151-T154 PolarHBondContact O-N 2.76Å; L151-K155 HydrophobicContact CD1-CD 4.07Å; L151-K155 HydrophobicContact CD1-CG 4.23Å; L151-K155 HydrophobicContact CG-CD 4.01Å; L151-K155 WeakPolarHBondContact O-CG 3.39Å; L151-K155 PolarHBondContact O-N 3.11Å |
| 152 | E | 94.1 | Very high | 91.8 | Very high | 103 Ų | 103 | 52.5 Ų | 52.5 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 179.6 | -67.4 | -51.5 | 129.2 | 0 | 0 | 113.1 | N148 K149 T154 K155 G156 | N148-E152 PolarHBondContact O-N 2.82Å; K149-E152 PolarHBondContact O-N 3.23Å; E152-T154 VanDerWaalsContact C-N 3.31Å; E152-T154 PolarHBondContact O-N 2.95Å; E152-K155 PolarHBondContact O-N 3.49Å; E152-K155 WeakPolarHBondContact OE1-CD 3.48Å; E152-K155 IonicContact OE1-NZ 2.68Å; E152-K155 PolarHBondContact OE1-NZ 3.41Å; E152-K155 IonicContact OE2-NZ 3.98Å; E152-K155 PolarHBondContact OE2-NZ 3.45Å; E152-G156 PolarHBondContact O-N 3.24Å |
| 153 | I | 94.9 | Very high | 92.1 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 173.2 | -59.5 | 162.9 | 0 | 0 | 0 | 110.2 | K134 I138 Q141 K149 G156 L157 | K134-I153 HydrophobicContact CB-CG2 4.07Å; K134-I153 HydrophobicContact CG-CG2 4.35Å; I138-I153 HydrophobicContact CD1-CB 4.15Å; I138-I153 HydrophobicContact CD1-CG2 3.78Å; I138-I153 HydrophobicContact CG1-CB 3.91Å; I138-I153 HydrophobicContact CG1-CD1 4.04Å; I138-I153 HydrophobicContact CG1-CG2 3.72Å; Q141-I153 HydrophobicContact CG-CD1 4.48Å; K149-I153 VanDerWaalsContact O-CG1 3.3Å; K149-I153 WeakPolarHBondContact O-CG1 3.36Å; K149-I153 PolarHBondContact O-N 2.91Å; I153-G156 PolarHBondContact O-N 3.46Å; I153-L157 HydrophobicContact CG2-CD1 4.48Å; I153-L157 PolarHBondContact O-N 3.12Å |
| 154 | T | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.5 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | L81 A84 K150 L151 E152 G156 L157 I158 L173 | L81-T154 HydrophobicContact CD2-CG2 4.09Å; A84-T154 HydrophobicContact CB-CG2 3.71Å; K150-T154 VanDerWaalsContact O-CB 3.27Å; K150-T154 WeakPolarHBondContact O-CB 3.48Å; K150-T154 PolarHBondContact O-N 3.07Å; K150-T154 PolarHBondContact O-OG1 2.89Å; L151-T154 WeakPolarHBondContact O-CB 3.33Å; L151-T154 PolarHBondContact O-N 2.76Å; E152-T154 VanDerWaalsContact C-N 3.31Å; E152-T154 PolarHBondContact O-N 2.95Å; T154-G156 VanDerWaalsContact C-N 3.34Å; T154-G156 PolarHBondContact O-N 3.19Å; T154-L157 WeakPolarHBondContact O-CB 3.35Å; T154-L157 PolarHBondContact O-N 3.11Å; T154-I158 HydrophobicContact CG2-CD1 3.69Å; T154-I158 HydrophobicContact CG2-CG1 4.5Å; T154-I158 WeakPolarHBondContact O-CG1 3.48Å; T154-I158 PolarHBondContact O-N 3.41Å; T154-L173 HydrophobicContact CG2-CD1 3.68Å |
| 155 | K | 93.9 | Very high | 93 | Very high | 47 Ų | 47 | 40.2 Ų | 40.2 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 175.7 | -72.1 | 162.3 | 66.8 | -151 | 0 | 111.5 | A84 C88 L151 E152 L157 I158 S159 | A84-K155 HydrophobicContact CB-CG 4.23Å; C88-K155 WeakPolarHBondContact SG-CA 3.28Å; C88-K155 PolarHBondContact SG-O 3.22Å; L151-K155 HydrophobicContact CD1-CD 4.07Å; L151-K155 HydrophobicContact CD1-CG 4.23Å; L151-K155 HydrophobicContact CG-CD 4.01Å; L151-K155 WeakPolarHBondContact O-CG 3.39Å; L151-K155 PolarHBondContact O-N 3.11Å; E152-K155 PolarHBondContact O-N 3.49Å; E152-K155 WeakPolarHBondContact OE1-CD 3.48Å; E152-K155 IonicContact OE1-NZ 2.68Å; E152-K155 PolarHBondContact OE1-NZ 3.41Å; E152-K155 IonicContact OE2-NZ 3.98Å; E152-K155 PolarHBondContact OE2-NZ 3.45Å; K155-L157 VanDerWaalsContact C-N 3.3Å; K155-L157 PolarHBondContact O-N 3.39Å; K155-I158 PolarHBondContact O-N 2.92Å; K155-S159 WeakPolarHBondContact O-CB 3.37Å; K155-S159 PolarHBondContact O-N 3.48Å; K155-S159 PolarHBondContact O-OG 2.9Å |
| 156 | G | 93 | Very high | 93.4 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 26% | 0.258 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.7 | -25.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E152 I153 T154 S159 | E152-G156 PolarHBondContact O-N 3.24Å; I153-G156 PolarHBondContact O-N 3.46Å; T154-G156 VanDerWaalsContact C-N 3.34Å; T154-G156 PolarHBondContact O-N 3.19Å; G156-S159 WeakPolarHBondContact CA-OG 3.42Å; G156-S159 PolarHBondContact O-OG 3.18Å |
| 157 | L | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.6 | -54 | 168.6 | -80.3 | 172.5 | 0 | 0 | 0 | 110.6 | L126 L131 K134 L135 I138 I153 T154 K155 S159 V160 C161 V169 | L126-L157 HydrophobicContact CD1-CD2 4.07Å; L131-L157 HydrophobicContact CD1-CD1 3.95Å; L131-L157 HydrophobicContact CD1-CD2 3.62Å; L131-L157 HydrophobicContact CD1-CG 4.39Å; K134-L157 HydrophobicContact CB-CD1 4.13Å; K134-L157 HydrophobicContact CB-CD2 4.02Å; K134-L157 HydrophobicContact CB-CG 4.28Å; K134-L157 HydrophobicContact CD-CD2 3.42Å; K134-L157 VanDerWaalsContact CD-CD2 3.42Å; K134-L157 HydrophobicContact CD-CG 3.89Å; K134-L157 HydrophobicContact CG-CD2 4.35Å; L135-L157 HydrophobicContact CD2-CD1 4.32Å; I138-L157 HydrophobicContact CD1-CD1 4.3Å; I153-L157 HydrophobicContact CG2-CD1 4.48Å; I153-L157 PolarHBondContact O-N 3.12Å; T154-L157 WeakPolarHBondContact O-CB 3.35Å; T154-L157 PolarHBondContact O-N 3.11Å; K155-L157 VanDerWaalsContact C-N 3.3Å; K155-L157 PolarHBondContact O-N 3.39Å; L157-S159 PolarHBondContact O-N 3.5Å; L157-V160 WeakPolarHBondContact O-CG2 3.43Å; L157-V160 PolarHBondContact O-N 3.36Å; L157-C161 PolarHBondContact O-SG 3.48Å; L157-V169 HydrophobicContact CB-CG1 4.08Å |
| 158 | I | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -31.8 | -178.1 | -64.1 | 165.9 | 0 | 0 | 0 | 110.8 | A84 V85 C88 R114 T154 K155 V160 C161 V169 V170 | A84-I158 HydrophobicContact CB-CD1 4.3Å; V85-I158 HydrophobicContact CG2-CD1 4.07Å; C88-I158 HydrophobicContact CB-CB 4.45Å; C88-I158 HydrophobicContact CB-CG2 3.82Å; R114-I158 HydrophobicContact CG-CG2 4.27Å; R114-I158 PolarHBondContact NE-O 3.5Å; T154-I158 HydrophobicContact CG2-CD1 3.69Å; T154-I158 HydrophobicContact CG2-CG1 4.5Å; T154-I158 WeakPolarHBondContact O-CG1 3.48Å; T154-I158 PolarHBondContact O-N 3.41Å; K155-I158 PolarHBondContact O-N 2.92Å; I158-V160 VanDerWaalsContact C-N 3.34Å; I158-V160 PolarHBondContact O-N 3.06Å; I158-C161 PolarHBondContact O-N 2.96Å; I158-V169 HydrophobicContact CG1-CG1 4.4Å; I158-V170 HydrophobicContact CD1-CG2 3.83Å; I158-V170 HydrophobicContact CG1-CG2 3.99Å |
| 159 | S | 91.2 | Very high | 94.4 | Very high | 62 Ų | 62 | 29.7 Ų | 29.7 | 43% | 0.434 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.3 | 179.7 | 67.2 | 0 | 0 | 0 | 0 | 116.8 | K155 G156 L157 | K155-S159 WeakPolarHBondContact O-CB 3.37Å; K155-S159 PolarHBondContact O-N 3.48Å; K155-S159 PolarHBondContact O-OG 2.9Å; G156-S159 WeakPolarHBondContact CA-OG 3.42Å; G156-S159 PolarHBondContact O-OG 3.18Å; L157-S159 PolarHBondContact O-N 3.5Å |
| 160 | V | 91.7 | Very high | 94.6 | Very high | 31 Ų | 31 | 24.8 Ų | 24.8 | 19% | 0.188 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -1.4 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | L126 L157 I158 | L126-V160 HydrophobicContact CB-CG2 4.27Å; L126-V160 HydrophobicContact CD1-CG2 4.21Å; L157-V160 WeakPolarHBondContact O-CG2 3.43Å; L157-V160 PolarHBondContact O-N 3.36Å; I158-V160 VanDerWaalsContact C-N 3.34Å; I158-V160 PolarHBondContact O-N 3.06Å |
| 161 | C | 94 | Very high | 94.6 | Very high | 14 Ų | 14 | 24.1 Ų | 24.1 | 10% | 0.095 | 14% | 0.138 | C | C | . | . | trans | -68.7 | 136.5 | 179.3 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | L157 I158 E165 A166 | L157-C161 PolarHBondContact O-SG 3.48Å; I158-C161 PolarHBondContact O-N 2.96Å; C161-E165 WeakPolarHBondContact CA-OE2 3.4Å; C161-E165 HydrophobicContact CB-CB 4.01Å; C161-A166 HydrophobicContact CB-CB 3.82Å | ||
| 162 | Q | 91.4 | Very high | 94.7 | Very high | 82 Ų | 82 | 23.6 Ų | 23.6 | 38% | 0.383 | 14% | 0.135 | S | C | . | . | trans | -116.5 | 142.7 | 175.2 | -60.6 | -179.8 | -5.6 | 0 | 0 | 110.2 | M17 C164 E165 | M17-Q162 HydrophobicContact CE-CB 3.73Å; M17-Q162 WeakPolarHBondContact CE-O 3.33Å; Q162-C164 PolarHBondContact O-N 3.46Å; Q162-E165 PolarHBondContact N-OE2 2.99Å; Q162-E165 VanDerWaalsContact O-CB 3.27Å; Q162-E165 WeakPolarHBondContact O-CB 3.19Å; Q162-E165 VanDerWaalsContact O-CG 3.27Å; Q162-E165 WeakPolarHBondContact O-CG 3.35Å; Q162-E165 PolarHBondContact O-N 3.3Å | ||
| 163 | G | 92.4 | Very high | 94.8 | Very high | 29 Ų | 29 | 18.8 Ų | 18.8 | 30% | 0.299 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | -127.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N115 E165 | N115-G163 WeakPolarHBondContact OD1-CA 3.44Å; G163-E165 VanDerWaalsContact C-N 3.27Å; G163-E165 PolarHBondContact O-N 3.24Å |
| 164 | C | 96.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 18.3 Ų | 18.3 | 10% | 0.101 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -11.4 | -178.5 | 64.6 | 0 | 0 | 0 | 0 | 114.8 | Q162 A166 R167 F168 | Q162-C164 PolarHBondContact O-N 3.46Å; C164-A166 PolarHBondContact O-N 3.4Å; C164-R167 VanDerWaalsContact O-CB 3.31Å; C164-R167 WeakPolarHBondContact O-CB 3.49Å; C164-R167 PolarHBondContact O-N 3.3Å; C164-F168 HydrophobicContact CB-CE2 4.25Å; C164-F168 WeakPolarHBondContact O-CD2 3.27Å |
| 165 | E | 97.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.2 | -38.2 | -178.8 | -67.3 | -176 | 142.5 | 0 | 0 | 112.3 | Y16 M17 A20 C161 Q162 G163 R167 F168 V169 | Y16-E165 HydrophobicContact CD1-CB 3.82Å; Y16-E165 HydrophobicContact CD1-CG 3.67Å; Y16-E165 HydrophobicContact CE1-CB 3.98Å; Y16-E165 HydrophobicContact CE1-CG 4.22Å; M17-E165 HydrophobicContact CB-CG 4.33Å; M17-E165 HydrophobicContact CE-CG 3.98Å; M17-E165 PolarHBondContact N-OE1 3.32Å; M17-E165 HydrophobicContact SD-CG 4.27Å; A20-E165 HydrophobicContact CB-CG 4.11Å; C161-E165 WeakPolarHBondContact CA-OE2 3.4Å; C161-E165 HydrophobicContact CB-CB 4.01Å; Q162-E165 PolarHBondContact N-OE2 2.99Å; Q162-E165 VanDerWaalsContact O-CB 3.27Å; Q162-E165 WeakPolarHBondContact O-CB 3.19Å; Q162-E165 VanDerWaalsContact O-CG 3.27Å; Q162-E165 WeakPolarHBondContact O-CG 3.35Å; Q162-E165 PolarHBondContact O-N 3.3Å; G163-E165 VanDerWaalsContact C-N 3.27Å; G163-E165 PolarHBondContact O-N 3.24Å; E165-R167 VanDerWaalsContact C-N 3.25Å; E165-R167 PolarHBondContact O-N 3.3Å; E165-F168 PolarHBondContact O-N 3.18Å; E165-V169 WeakPolarHBondContact O-CB 3.33Å; E165-V169 WeakPolarHBondContact O-CG2 3.19Å; E165-V169 PolarHBondContact O-N 3.15Å |
| 166 | A | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.7 | -29.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E111 R114 C161 C164 V170 | E111-A166 HydrophobicContact CB-CB 4.44Å; R114-A166 HydrophobicContact CB-CB 4.17Å; R114-A166 HydrophobicContact CG-CB 4.06Å; C161-A166 HydrophobicContact CB-CB 3.82Å; C164-A166 PolarHBondContact O-N 3.4Å; A166-V170 WeakPolarHBondContact O-CB 3.39Å; A166-V170 WeakPolarHBondContact O-CG2 3.45Å; A166-V170 PolarHBondContact O-N 2.91Å |
| 167 | R | 97.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 21.5 Ų | 21.5 | 15% | 0.147 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.9 | -55.7 | 175.2 | -176.1 | -170.4 | -60.4 | -173.7 | 5.5 | 109.9 | E27 G107 I108 E111 C164 E165 V170 R171 | E27-R167 IonicContact OE2-CZ 3.38Å; E27-R167 IonicContact OE2-NH1 3.76Å; E27-R167 PolarHBondContact OE2-NH1 2.91Å; G107-R167 WeakPolarHBondContact CA-O 3.37Å; G107-R167 WeakPolarHBondContact O-CA 3.28Å; I108-R167 HydrophobicContact CG1-CG 4.38Å; E111-R167 HydrophobicContact CB-CB 4.17Å; E111-R167 IonicContact OE1-NH2 3.15Å; E111-R167 PolarHBondContact OE1-NH2 2.84Å; E111-R167 IonicContact OE2-CZ 2.8Å; E111-R167 IonicContact OE2-NE 2.71Å; E111-R167 PolarHBondContact OE2-NE 3.05Å; E111-R167 IonicContact OE2-NH2 2.84Å; E111-R167 PolarHBondContact OE2-NH2 2.87Å; C164-R167 VanDerWaalsContact O-CB 3.31Å; C164-R167 WeakPolarHBondContact O-CB 3.49Å; C164-R167 PolarHBondContact O-N 3.3Å; E165-R167 VanDerWaalsContact C-N 3.25Å; E165-R167 PolarHBondContact O-N 3.3Å; R167-V170 PolarHBondContact O-N 3.34Å; R167-R171 WeakPolarHBondContact O-CB 3.43Å; R167-R171 WeakPolarHBondContact O-CG 3.37Å; R167-R171 PolarHBondContact O-N 3.34Å |
| 168 | F | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -76.4 | -34.4 | -173 | -59.3 | -73.1 | 0 | 0 | 0 | 112.6 | Y16 A20 L23 T24 C164 E165 V170 R171 C172 M177 I179 | Y16-F168 HydrophobicContact CE1-CB 4.5Å; Y16-F168 WeakPolarHBondContact OH-CB 3.42Å; A20-F168 HydrophobicContact CB-CD2 3.93Å; A20-F168 VanDerWaalsContact O-CE2 3.26Å; A20-F168 WeakPolarHBondContact O-CE2 3.42Å; L23-F168 HydrophobicContact CB-CD1 3.97Å; L23-F168 HydrophobicContact CB-CD2 4.46Å; L23-F168 HydrophobicContact CB-CE1 3.71Å; L23-F168 HydrophobicContact CB-CE2 4.23Å; L23-F168 HydrophobicContact CB-CG 4.34Å; L23-F168 HydrophobicContact CB-CZ 3.85Å; L23-F168 HydrophobicContact CD1-CB 4.33Å; L23-F168 HydrophobicContact CD1-CD1 3.98Å; L23-F168 HydrophobicContact CD1-CG 4.07Å; T24-F168 VanDerWaalsContact OG1-CE2 3.26Å; T24-F168 WeakPolarHBondContact OG1-CE2 3.38Å; C164-F168 HydrophobicContact CB-CE2 4.25Å; C164-F168 WeakPolarHBondContact O-CD2 3.27Å; E165-F168 PolarHBondContact O-N 3.18Å; F168-V170 PolarHBondContact O-N 3.33Å; F168-R171 PolarHBondContact O-N 3.04Å; F168-C172 WeakPolarHBondContact O-CB 3.49Å; F168-C172 PolarHBondContact O-N 2.96Å; F168-C172 PolarHBondContact O-SG 3.09Å; F168-M177 HydrophobicContact CB-CE 4.34Å; F168-M177 HydrophobicContact CD1-CE 3.99Å; F168-I179 HydrophobicContact CD1-CG2 4.25Å; F168-I179 HydrophobicContact CE1-CG2 3.76Å |
| 169 | V | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 171.2 | 166.4 | 0 | 0 | 0 | 0 | 111.3 | Y16 L126 L131 L157 I158 E165 C172 L173 | Y16-V169 HydrophobicContact CD1-CG2 4.25Å; Y16-V169 HydrophobicContact CE1-CG2 3.63Å; L126-V169 HydrophobicContact CD2-CG2 3.9Å; L131-V169 HydrophobicContact CD1-CG1 4.49Å; L131-V169 HydrophobicContact CD1-CG2 3.93Å; L131-V169 HydrophobicContact CD2-CG2 4.01Å; L157-V169 HydrophobicContact CB-CG1 4.08Å; I158-V169 HydrophobicContact CG1-CG1 4.4Å; E165-V169 WeakPolarHBondContact O-CB 3.33Å; E165-V169 WeakPolarHBondContact O-CG2 3.19Å; E165-V169 PolarHBondContact O-N 3.15Å; V169-C172 PolarHBondContact O-N 3.05Å; V169-L173 HydrophobicContact CG1-CD1 3.78Å; V169-L173 WeakPolarHBondContact O-CD1 3.43Å; V169-L173 WeakPolarHBondContact O-CG 3.34Å; V169-L173 PolarHBondContact O-N 3.47Å |
| 170 | V | 96.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.2 | -35.6 | -179.3 | 168.8 | 0 | 0 | 0 | 0 | 112 | V85 L106 A110 I158 A166 R167 F168 L173 S174 | V85-V170 HydrophobicContact CG2-CG2 4.09Å; L106-V170 HydrophobicContact CB-CG1 4.12Å; L106-V170 HydrophobicContact CD2-CG1 4.1Å; L106-V170 HydrophobicContact CG-CG1 3.79Å; A110-V170 HydrophobicContact CB-CB 4.11Å; A110-V170 HydrophobicContact CB-CG1 4.32Å; A110-V170 HydrophobicContact CB-CG2 3.63Å; I158-V170 HydrophobicContact CD1-CG2 3.83Å; I158-V170 HydrophobicContact CG1-CG2 3.99Å; A166-V170 WeakPolarHBondContact O-CB 3.39Å; A166-V170 WeakPolarHBondContact O-CG2 3.45Å; A166-V170 PolarHBondContact O-N 2.91Å; R167-V170 PolarHBondContact O-N 3.34Å; F168-V170 PolarHBondContact O-N 3.33Å; V170-L173 PolarHBondContact O-N 2.93Å; V170-S174 PolarHBondContact O-N 3.39Å; V170-S174 PolarHBondContact O-OG 3.05Å |
| 171 | R | 95 | Very high | 92.3 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 172.1 | -79 | -178.1 | 175.2 | 178.5 | 2.8 | 113.5 | E27 D105 R167 F168 L173 S174 G175 K176 M177 R178 | E27-R171 IonicContact OE1-CZ 3.87Å; E27-R171 IonicContact OE1-NH1 2.83Å; E27-R171 PolarHBondContact OE1-NH1 3.44Å; E27-R171 IonicContact OE1-NH2 3.31Å; E27-R171 PolarHBondContact OE1-NH2 3.39Å; E27-R171 IonicContact OE2-NH1 2.95Å; D105-R171 IonicContact OD1-NE 2.66Å; D105-R171 PolarHBondContact OD1-NE 2.94Å; D105-R171 IonicContact OD1-NH2 3.83Å; D105-R171 IonicContact OD2-CZ 2.83Å; D105-R171 VanDerWaalsContact OD2-CZ 3.27Å; D105-R171 IonicContact OD2-NE 2.85Å; D105-R171 PolarHBondContact OD2-NE 3.29Å; D105-R171 IonicContact OD2-NH2 3.36Å; D105-R171 PolarHBondContact OD2-NH2 2.92Å; R167-R171 WeakPolarHBondContact O-CB 3.43Å; R167-R171 WeakPolarHBondContact O-CG 3.37Å; R167-R171 PolarHBondContact O-N 3.34Å; F168-R171 PolarHBondContact O-N 3.04Å; R171-L173 VanDerWaalsContact C-N 3.31Å; R171-L173 PolarHBondContact O-N 3.36Å; R171-S174 PolarHBondContact O-N 3.28Å; R171-S174 PolarHBondContact O-OG 2.81Å; R171-S174 VanDerWaalsContact O-OG 3.05Å; R171-G175 PolarHBondContact O-N 2.84Å; R171-K176 WeakPolarHBondContact CB-O 3.26Å; R171-K176 CarbonylContact O-C 3.55Å; R171-K176 PolarHBondContact O-N 2.97Å; R171-K176 VanDerWaalsContact O-N 3.09Å; R171-M177 HydrophobicContact CB-SD 4.02Å; R171-M177 VanDerWaalsContact CD-O 3.3Å; R171-M177 WeakPolarHBondContact CD-O 3.37Å; R171-M177 PolarHBondContact NH1-O 3.49Å; R171-R178 PolarHBondContact NH1-O 3.04Å |
| 172 | C | 95.3 | Very high | 92 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.4 | -49.8 | 170.5 | -72.1 | 0 | 0 | 0 | 0 | 110.4 | N63 L74 L135 F168 V169 S174 G175 M177 | N63-C172 VanDerWaalsContact OD1-CA 3.23Å; N63-C172 WeakPolarHBondContact OD1-CA 3.32Å; L74-C172 VanDerWaalsContact CD1-O 3.3Å; L74-C172 WeakPolarHBondContact CD1-O 3.23Å; L135-C172 HydrophobicContact CD1-CB 4.2Å; F168-C172 WeakPolarHBondContact O-CB 3.49Å; F168-C172 PolarHBondContact O-N 2.96Å; F168-C172 PolarHBondContact O-SG 3.09Å; V169-C172 PolarHBondContact O-N 3.05Å; C172-S174 VanDerWaalsContact C-N 3.28Å; C172-S174 PolarHBondContact O-N 2.82Å; C172-G175 PolarHBondContact O-N 3.28Å; C172-G175 VanDerWaalsContact O-N 3.14Å; C172-M177 HydrophobicContact CB-SD 4.43Å; C172-M177 PolarHBondContact SG-SD 3.48Å |
| 173 | L | 95.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.8 | -29.4 | -178.7 | -68.4 | 162.2 | 0 | 0 | 0 | 113.8 | L74 I76 L81 L135 I138 T154 V169 V170 R171 G175 | L74-L173 HydrophobicContact CD1-CD2 4.47Å; I76-L173 HydrophobicContact CD1-CD2 3.65Å; L81-L173 HydrophobicContact CD1-CB 4.31Å; L81-L173 HydrophobicContact CD2-CB 3.7Å; L81-L173 HydrophobicContact CD2-CD1 4.43Å; L135-L173 HydrophobicContact CD2-CD2 3.6Å; L135-L173 HydrophobicContact CD2-CG 4.11Å; I138-L173 HydrophobicContact CD1-CD2 3.7Å; T154-L173 HydrophobicContact CG2-CD1 3.68Å; V169-L173 HydrophobicContact CG1-CD1 3.78Å; V169-L173 WeakPolarHBondContact O-CD1 3.43Å; V169-L173 WeakPolarHBondContact O-CG 3.34Å; V169-L173 PolarHBondContact O-N 3.47Å; V170-L173 PolarHBondContact O-N 2.93Å; R171-L173 VanDerWaalsContact C-N 3.31Å; R171-L173 PolarHBondContact O-N 3.36Å; L173-G175 VanDerWaalsContact C-N 3.34Å |
| 174 | S | 91.1 | Very high | 92.1 | Very high | 31 Ų | 31 | 22.6 Ų | 22.6 | 22% | 0.217 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.3 | 176.7 | 73.8 | 0 | 0 | 0 | 0 | 114.4 | V170 R171 C172 K176 | V170-S174 PolarHBondContact O-N 3.39Å; V170-S174 PolarHBondContact O-OG 3.05Å; R171-S174 PolarHBondContact O-N 3.28Å; R171-S174 PolarHBondContact O-OG 2.81Å; R171-S174 VanDerWaalsContact O-OG 3.05Å; C172-S174 VanDerWaalsContact C-N 3.28Å; C172-S174 PolarHBondContact O-N 2.82Å; S174-K176 VanDerWaalsContact C-N 3.3Å; S174-K176 PolarHBondContact O-N 2.84Å |
| 175 | G | 87.9 | Confident | 92.1 | Very high | 49 Ų | 49 | 22 Ų | 22 | 51% | 0.505 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 10.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | N63 R171 C172 L173 | N63-G175 WeakPolarHBondContact ND2-CA 3.43Å; N63-G175 PolarHBondContact ND2-O 2.95Å; N63-G175 VanDerWaalsContact ND2-O 3.12Å; R171-G175 PolarHBondContact O-N 2.84Å; C172-G175 PolarHBondContact O-N 3.28Å; C172-G175 VanDerWaalsContact O-N 3.14Å; L173-G175 VanDerWaalsContact C-N 3.34Å |
| 176 | K | 82.3 | Confident | 92.1 | Very high | 77 Ų | 77 | 21.9 Ų | 21.9 | 34% | 0.335 | 13% | 0.127 | S | C | . | . | trans | -140.9 | 97.6 | -171.7 | -63 | 179.7 | -178.7 | 177.1 | 0 | 112 | N63 R171 S174 R178 H540 | N63-K176 PolarHBondContact ND2-N 2.89Å; R171-K176 WeakPolarHBondContact CB-O 3.26Å; R171-K176 CarbonylContact O-C 3.55Å; R171-K176 PolarHBondContact O-N 2.97Å; R171-K176 VanDerWaalsContact O-N 3.09Å; S174-K176 VanDerWaalsContact C-N 3.3Å; S174-K176 PolarHBondContact O-N 2.84Å; K176-R178 HydrophobicContact CB-CG 4.31Å; K176-H540 PolarHBondContact NZ-NE2 3.26Å; K176-H540 VanDerWaalsContact NZ-NE2 3.18Å | ||
| 177 | M | 89.6 | Confident | 92.2 | Very high | 12 Ų | 12 | 21.9 Ų | 21.9 | 6% | 0.059 | 13% | 0.127 | C | C | . | . | trans | -75 | -27.6 | -176.5 | -83.6 | -64.2 | -78.2 | 0 | 0 | 116 | L23 N63 F168 R171 C172 I179 | L23-M177 HydrophobicContact CD1-CE 3.53Å; N63-M177 HydrophobicContact CB-CB 4.16Å; N63-M177 HydrophobicContact CB-CG 3.47Å; N63-M177 VanDerWaalsContact CB-CG 3.47Å; F168-M177 HydrophobicContact CB-CE 4.34Å; F168-M177 HydrophobicContact CD1-CE 3.99Å; R171-M177 HydrophobicContact CB-SD 4.02Å; R171-M177 VanDerWaalsContact CD-O 3.3Å; R171-M177 WeakPolarHBondContact CD-O 3.37Å; R171-M177 PolarHBondContact NH1-O 3.49Å; C172-M177 HydrophobicContact CB-SD 4.43Å; C172-M177 PolarHBondContact SG-SD 3.48Å; M177-I179 VanDerWaalsContact C-N 3.26Å; M177-I179 HydrophobicContact CB-CD1 4.45Å; M177-I179 HydrophobicContact CB-CG1 4.27Å; M177-I179 WeakPolarHBondContact O-CG2 3.24Å; M177-I179 PolarHBondContact O-N 3.27Å; M177-I179 VanDerWaalsContact O-N 3.15Å | ||
| 178 | R | 82.3 | Confident | 92.2 | Very high | 49 Ų | 49 | 21 Ų | 21 | 19% | 0.185 | 13% | 0.125 | C | C | . | . | trans | 53.7 | 37 | 169.3 | -62.5 | 170.3 | 155 | -166.4 | -7.7 | 114.9 | G104 D105 R171 K176 E562 | G104-R178 PolarHBondContact O-NH1 2.78Å; G104-R178 PolarHBondContact O-NH2 2.92Å; D105-R178 VanDerWaalsContact CA-NH1 3.27Å; D105-R178 VanDerWaalsContact CB-NH1 3.3Å; D105-R178 WeakPolarHBondContact OD2-CD 3.4Å; D105-R178 IonicContact OD2-CZ 3.19Å; D105-R178 IonicContact OD2-NE 2.8Å; D105-R178 IonicContact OD2-NH1 2.84Å; D105-R178 PolarHBondContact OD2-NH1 3.39Å; R171-R178 PolarHBondContact NH1-O 3.04Å; K176-R178 HydrophobicContact CB-CG 4.31Å; R178-E562 IonicContact CZ-OE1 2.68Å; R178-E562 IonicContact NE-OE1 3.54Å; R178-E562 PolarHBondContact NE-OE1 2.93Å; R178-E562 IonicContact NH2-OE1 3.82Å; R178-E562 PolarHBondContact NH2-OE1 2.99Å | ||
| 179 | I | 88.9 | Confident | 92.3 | Very high | 10 Ų | 10 | 21 Ų | 21 | 5% | 0.051 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -102.5 | -6.4 | -177.9 | 52.5 | 175 | 0 | 0 | 0 | 114.3 | L23 I26 F168 M177 L181 | L23-I179 HydrophobicContact CB-CG2 4.31Å; L23-I179 HydrophobicContact CD2-CD1 3.63Å; L23-I179 HydrophobicContact CD2-CG2 4.31Å; I26-I179 HydrophobicContact CG2-CB 4.43Å; F168-I179 HydrophobicContact CD1-CG2 4.25Å; F168-I179 HydrophobicContact CE1-CG2 3.76Å; M177-I179 VanDerWaalsContact C-N 3.26Å; M177-I179 HydrophobicContact CB-CD1 4.45Å; M177-I179 HydrophobicContact CB-CG1 4.27Å; M177-I179 WeakPolarHBondContact O-CG2 3.24Å; M177-I179 PolarHBondContact O-N 3.27Å; M177-I179 VanDerWaalsContact O-N 3.15Å; I179-L181 HydrophobicContact CD1-CB 3.74Å; I179-L181 HydrophobicContact CD1-CD2 3.99Å; I179-L181 HydrophobicContact CG1-CB 3.88Å; I179-L181 PolarHBondContact O-N 2.84Å |
| 180 | G | 84.3 | Confident | 92.3 | Very high | 31 Ų | 31 | 21 Ų | 21 | 32% | 0.32 | 13% | 0.125 | S | C | . | . | trans | 68.9 | 17.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 181 | L | 89.7 | Confident | 92.4 | Very high | 23 Ų | 23 | 21 Ų | 21 | 12% | 0.12 | 13% | 0.125 | C | C | . | . | trans | -98 | 117.6 | 174.8 | 175.4 | 68.3 | 0 | 0 | 0 | 109.9 | I26 I35 L39 C61 I179 L186 | I26-L181 HydrophobicContact CG2-CB 4.25Å; I35-L181 HydrophobicContact CG2-CD1 3.7Å; L39-L181 HydrophobicContact CD2-CD1 3.78Å; L39-L181 HydrophobicContact CD2-CD2 3.7Å; L39-L181 HydrophobicContact CD2-CG 4.4Å; C61-L181 HydrophobicContact CB-CD2 3.92Å; I179-L181 HydrophobicContact CD1-CB 3.74Å; I179-L181 HydrophobicContact CD1-CD2 3.99Å; I179-L181 HydrophobicContact CG1-CB 3.88Å; I179-L181 PolarHBondContact O-N 2.84Å; L181-L186 HydrophobicContact CD1-CB 4.47Å; L181-L186 HydrophobicContact CD2-CD1 4.26Å | ||
| 182 | A | 88.2 | Confident | 92.6 | Very high | 22 Ų | 22 | 22.8 Ų | 22.8 | 18% | 0.182 | 13% | 0.133 | C | C | . | . | trans | -90.9 | 161 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q184 S185 L186 E513 | A182-Q184 VanDerWaalsContact C-N 3.26Å; A182-Q184 PolarHBondContact O-N 2.82Å; A182-S185 PolarHBondContact O-N 2.87Å; A182-L186 PolarHBondContact O-N 3.4Å; A182-L186 VanDerWaalsContact O-N 3.14Å; A182-E513 HydrophobicContact CB-CB 4.45Å; A182-E513 HydrophobicContact CB-CG 4.14Å | ||
| 183 | E | 92.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 22.7 Ų | 22.7 | 22% | 0.215 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.7 | -35.7 | -179.2 | -169.3 | -176.9 | -110.1 | 0 | 0 | 112.5 | L62 L186 L187 F227 Y233 K261 | L62-E183 HydrophobicContact CD2-CB 4.09Å; L62-E183 HydrophobicContact CD2-CG 4.13Å; E183-L186 PolarHBondContact O-N 3.06Å; E183-L187 HydrophobicContact CG-CD1 4.19Å; E183-L187 VanDerWaalsContact O-CG 3.26Å; E183-L187 WeakPolarHBondContact O-CG 3.09Å; E183-L187 PolarHBondContact O-N 3.12Å; E183-F227 VanDerWaalsContact CD-CE1 3.49Å; E183-F227 HydrophobicContact CG-CE1 4.29Å; E183-F227 WeakPolarHBondContact OE1-CZ 3.49Å; E183-F227 WeakPolarHBondContact OE2-CE1 3.5Å; E183-Y233 WeakPolarHBondContact CG-OH 3.27Å; E183-K261 IonicContact OE2-NZ 3.27Å; E183-K261 PolarHBondContact OE2-NZ 3.41Å |
| 184 | Q | 92.7 | Very high | 92.9 | Very high | 61 Ų | 61 | 22.8 Ų | 22.8 | 29% | 0.285 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66.8 | -45.7 | -179.9 | -70.4 | -61.7 | -42.1 | 0 | 0 | 112.4 | A182 L186 L187 I188 E513 | A182-Q184 VanDerWaalsContact C-N 3.26Å; A182-Q184 PolarHBondContact O-N 2.82Å; Q184-L186 VanDerWaalsContact C-N 3.32Å; Q184-L186 PolarHBondContact O-N 2.55Å; Q184-L187 PolarHBondContact O-N 3.05Å; Q184-I188 VanDerWaalsContact O-CG1 3.29Å; Q184-I188 WeakPolarHBondContact O-CG1 3.47Å; Q184-I188 PolarHBondContact O-N 3.45Å; Q184-I188 VanDerWaalsContact O-N 3.07Å; Q184-E513 VanDerWaalsContact CB-OE1 3.25Å; Q184-E513 WeakPolarHBondContact CB-OE1 3.39Å |
| 185 | S | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.2 | -38.9 | 169.6 | -79.6 | 0 | 0 | 0 | 0 | 113.1 | R32 A182 I188 S189 E513 | R32-S185 WeakPolarHBondContact CG-OG 3.44Å; R32-S185 PolarHBondContact NE-OG 2.83Å; A182-S185 PolarHBondContact O-N 2.87Å; S185-I188 PolarHBondContact O-N 2.81Å; S185-S189 WeakPolarHBondContact O-CB 3.34Å; S185-S189 PolarHBondContact O-N 3.02Å; S185-S189 PolarHBondContact O-OG 3.29Å; S185-E513 WeakPolarHBondContact CB-OE2 3.3Å; S185-E513 PolarHBondContact N-OE1 3.4Å; S185-E513 VanDerWaalsContact OG-CD 3.22Å; S185-E513 PolarHBondContact OG-OE1 2.71Å; S185-E513 VanDerWaalsContact OG-OE1 3.12Å; S185-E513 PolarHBondContact OG-OE2 1.85Å |
| 186 | L | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 175.7 | -179.5 | 144.1 | 0 | 0 | 0 | 112.1 | L39 F43 I58 C61 L62 L181 A182 E183 Q184 I188 S189 L190 Y233 | L39-L186 HydrophobicContact CD2-CB 4.2Å; L39-L186 HydrophobicContact CD2-CD1 4.34Å; L39-L186 HydrophobicContact CD2-CG 4.22Å; F43-L186 HydrophobicContact CE2-CG 4.13Å; F43-L186 HydrophobicContact CZ-CD1 4.05Å; F43-L186 HydrophobicContact CZ-CG 4.11Å; I58-L186 HydrophobicContact CG2-CD1 4.46Å; I58-L186 HydrophobicContact CG2-CD2 3.96Å; C61-L186 HydrophobicContact CB-CD1 3.58Å; L62-L186 HydrophobicContact CD1-CD2 4.37Å; L62-L186 HydrophobicContact CD2-CB 4.39Å; L62-L186 HydrophobicContact CD2-CD1 3.9Å; L62-L186 HydrophobicContact CD2-CG 4.5Å; L62-L186 HydrophobicContact CG-CD1 3.88Å; L181-L186 HydrophobicContact CD1-CB 4.47Å; L181-L186 HydrophobicContact CD2-CD1 4.26Å; A182-L186 PolarHBondContact O-N 3.4Å; A182-L186 VanDerWaalsContact O-N 3.14Å; E183-L186 PolarHBondContact O-N 3.06Å; Q184-L186 VanDerWaalsContact C-N 3.32Å; Q184-L186 PolarHBondContact O-N 2.55Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-I188 PolarHBondContact O-N 2.8Å; L186-S189 PolarHBondContact O-N 3.12Å; L186-L190 WeakPolarHBondContact O-CB 3.15Å; L186-L190 PolarHBondContact O-N 2.94Å; L186-Y233 HydrophobicContact CD2-CE1 4.16Å |
| 187 | L | 98 | Very high | 94.2 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.2 | -69.7 | 164.5 | 0 | 0 | 0 | 111.6 | E183 Q184 L190 A191 L223 K224 F227 Y233 | E183-L187 HydrophobicContact CG-CD1 4.19Å; E183-L187 VanDerWaalsContact O-CG 3.26Å; E183-L187 WeakPolarHBondContact O-CG 3.09Å; E183-L187 PolarHBondContact O-N 3.12Å; Q184-L187 PolarHBondContact O-N 3.05Å; L187-L190 PolarHBondContact O-N 3.32Å; L187-A191 WeakPolarHBondContact O-CB 3.1Å; L187-A191 PolarHBondContact O-N 3.43Å; L187-L223 HydrophobicContact CB-CD2 4Å; L187-L223 HydrophobicContact CD2-CD2 3.41Å; L187-L223 VanDerWaalsContact CD2-CD2 3.41Å; L187-L223 HydrophobicContact CG-CD2 4.31Å; L187-K224 HydrophobicContact CB-CG 4.26Å; L187-K224 HydrophobicContact CD1-CG 4.43Å; L187-F227 HydrophobicContact CD1-CD1 3.72Å; L187-F227 HydrophobicContact CD1-CE1 4.11Å; L187-F227 HydrophobicContact CD1-CG 4.38Å; L187-F227 HydrophobicContact CD2-CB 4.05Å; L187-F227 HydrophobicContact CD2-CD1 3.99Å; L187-F227 HydrophobicContact CD2-CD2 4.3Å; L187-F227 HydrophobicContact CD2-CG 3.84Å; L187-Y233 HydrophobicContact CD2-CE1 3.7Å |
| 188 | I | 98.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 20.9 Ų | 20.9 | 11% | 0.108 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | 174.3 | -62.5 | 163.2 | 0 | 0 | 0 | 110.5 | I36 Q184 S185 L186 L190 A191 H192 T220 | I36-I188 HydrophobicContact CD1-CB 4.41Å; I36-I188 HydrophobicContact CD1-CD1 4.1Å; I36-I188 HydrophobicContact CD1-CG2 4.25Å; I36-I188 HydrophobicContact CG2-CB 4.49Å; I36-I188 HydrophobicContact CG2-CG2 3.83Å; Q184-I188 VanDerWaalsContact O-CG1 3.29Å; Q184-I188 WeakPolarHBondContact O-CG1 3.47Å; Q184-I188 PolarHBondContact O-N 3.45Å; Q184-I188 VanDerWaalsContact O-N 3.07Å; S185-I188 PolarHBondContact O-N 2.81Å; L186-I188 VanDerWaalsContact C-N 3.34Å; L186-I188 PolarHBondContact O-N 2.8Å; I188-L190 VanDerWaalsContact C-N 3.27Å; I188-L190 PolarHBondContact O-N 3.14Å; I188-A191 PolarHBondContact O-N 3.37Å; I188-H192 WeakPolarHBondContact CG2-NE2 3.43Å; I188-H192 WeakPolarHBondContact O-CB 3.35Å; I188-H192 PolarHBondContact O-CD2 2.74Å; I188-H192 VanDerWaalsContact O-CD2 3.29Å; I188-H192 VanDerWaalsContact O-CG 3.31Å; I188-H192 PolarHBondContact O-N 2.93Å; I188-T220 HydrophobicContact CB-CG2 4.48Å; I188-T220 HydrophobicContact CG1-CG2 3.81Å |
| 189 | S | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.6 | -40.3 | 178.9 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | I36 S185 L186 A193 | I36-S189 WeakPolarHBondContact CA-OG 3.29Å; I36-S189 PolarHBondContact O-OG 2.88Å; S185-S189 WeakPolarHBondContact O-CB 3.34Å; S185-S189 PolarHBondContact O-N 3.02Å; S185-S189 PolarHBondContact O-OG 3.29Å; L186-S189 PolarHBondContact O-N 3.12Å; S189-A193 VanDerWaalsContact O-CB 3.23Å; S189-A193 WeakPolarHBondContact O-CB 3.24Å; S189-A193 PolarHBondContact O-N 3.08Å |
| 190 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.6 | -44.7 | 177.1 | -170.2 | 62.9 | 0 | 0 | 0 | 111.4 | F43 L54 I58 L186 L187 I188 H192 A193 F194 L223 | F43-L190 HydrophobicContact CD2-CB 4.24Å; F43-L190 HydrophobicContact CD2-CD1 3.96Å; F43-L190 HydrophobicContact CE2-CB 4.19Å; F43-L190 HydrophobicContact CE2-CD1 4.23Å; F43-L190 HydrophobicContact CG-CD1 4.39Å; L54-L190 HydrophobicContact CD1-CD1 4.34Å; L54-L190 HydrophobicContact CD2-CD1 4.35Å; I58-L190 HydrophobicContact CD1-CD1 3.83Å; I58-L190 HydrophobicContact CD1-CD2 3.76Å; I58-L190 HydrophobicContact CD1-CG 4.46Å; I58-L190 HydrophobicContact CG1-CD1 4.46Å; L186-L190 WeakPolarHBondContact O-CB 3.15Å; L186-L190 PolarHBondContact O-N 2.94Å; L187-L190 PolarHBondContact O-N 3.32Å; I188-L190 VanDerWaalsContact C-N 3.27Å; I188-L190 PolarHBondContact O-N 3.14Å; L190-H192 PolarHBondContact O-N 3.03Å; L190-A193 PolarHBondContact O-N 2.85Å; L190-F194 HydrophobicContact CD1-CD2 3.95Å; L190-F194 HydrophobicContact CD1-CE2 3.66Å; L190-F194 HydrophobicContact CG-CD2 4.08Å; L190-F194 HydrophobicContact CG-CE2 4.08Å; L190-F194 WeakPolarHBondContact O-CD2 3.41Å; L190-F194 PolarHBondContact O-N 3.4Å; L190-L223 HydrophobicContact CB-CD1 4.43Å; L190-L223 HydrophobicContact CD2-CD1 4.27Å; L190-L223 HydrophobicContact CG-CD1 4.2Å |
| 191 | A | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L187 I188 T195 L223 F245 | L187-A191 WeakPolarHBondContact O-CB 3.1Å; L187-A191 PolarHBondContact O-N 3.43Å; I188-A191 PolarHBondContact O-N 3.37Å; A191-T195 WeakPolarHBondContact O-CB 3.16Å; A191-T195 PolarHBondContact O-N 3.47Å; A191-T195 PolarHBondContact O-OG1 3.14Å; A191-L223 HydrophobicContact CB-CB 4.11Å; A191-L223 HydrophobicContact CB-CD1 3.91Å; A191-L223 HydrophobicContact CB-CG 4.49Å; A191-F245 HydrophobicContact CB-CZ 4.33Å |
| 192 | H | 98.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 29.6 Ų | 29.6 | 19% | 0.185 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.4 | -71.8 | -160 | 0 | 0 | 0 | 110.9 | C40 I188 L190 F194 T195 Y196 L216 T220 | C40-H192 HydrophobicContact CB-CB 4.43Å; I188-H192 WeakPolarHBondContact CG2-NE2 3.43Å; I188-H192 WeakPolarHBondContact O-CB 3.35Å; I188-H192 PolarHBondContact O-CD2 2.74Å; I188-H192 VanDerWaalsContact O-CD2 3.29Å; I188-H192 VanDerWaalsContact O-CG 3.31Å; I188-H192 PolarHBondContact O-N 2.93Å; L190-H192 PolarHBondContact O-N 3.03Å; H192-F194 PolarHBondContact O-N 3.05Å; H192-T195 PolarHBondContact O-N 2.85Å; H192-Y196 HydrophobicContact CB-CD2 4.46Å; H192-Y196 HydrophobicContact CB-CE2 4.28Å; H192-Y196 WeakPolarHBondContact O-CD2 3.25Å; H192-Y196 PolarHBondContact O-N 2.96Å; H192-L216 HydrophobicContact CB-CD2 4.01Å; H192-T220 PolarHBondContact CD2-OG1 3.45Å |
| 193 | A | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -50.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F43 R44 I47 S189 L190 Y196 T197 | F43-A193 HydrophobicContact CB-CB 3.7Å; R44-A193 HydrophobicContact CG-CB 3.76Å; I47-A193 HydrophobicContact CD1-CB 4.03Å; S189-A193 VanDerWaalsContact O-CB 3.23Å; S189-A193 WeakPolarHBondContact O-CB 3.24Å; S189-A193 PolarHBondContact O-N 3.08Å; L190-A193 PolarHBondContact O-N 2.85Å; A193-Y196 PolarHBondContact O-N 2.96Å; A193-T197 PolarHBondContact O-N 3.31Å; A193-T197 PolarHBondContact O-OG1 3.01Å |
| 194 | F | 98.2 | Very high | 94.3 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 2% | 0.022 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 175.3 | -83.4 | -74.7 | 0 | 0 | 0 | 112.4 | I47 L54 L190 H192 Y196 T197 E198 L240 L241 F245 | I47-F194 HydrophobicContact CD1-CD1 4.08Å; I47-F194 HydrophobicContact CD1-CD2 4.17Å; I47-F194 HydrophobicContact CD1-CE1 4.06Å; I47-F194 HydrophobicContact CD1-CE2 4.17Å; I47-F194 HydrophobicContact CD1-CG 4.13Å; I47-F194 HydrophobicContact CD1-CZ 4.11Å; I47-F194 HydrophobicContact CG1-CE1 4.3Å; I47-F194 HydrophobicContact CG1-CZ 4.27Å; I47-F194 HydrophobicContact CG2-CE1 4.48Å; L54-F194 HydrophobicContact CD2-CE2 3.86Å; L54-F194 HydrophobicContact CD2-CZ 3.63Å; L190-F194 HydrophobicContact CD1-CD2 3.95Å; L190-F194 HydrophobicContact CD1-CE2 3.66Å; L190-F194 HydrophobicContact CG-CD2 4.08Å; L190-F194 HydrophobicContact CG-CE2 4.08Å; L190-F194 WeakPolarHBondContact O-CD2 3.41Å; L190-F194 PolarHBondContact O-N 3.4Å; H192-F194 PolarHBondContact O-N 3.05Å; F194-Y196 PolarHBondContact O-N 3.31Å; F194-T197 PolarHBondContact O-N 2.89Å; F194-E198 WeakPolarHBondContact O-CB 3.45Å; F194-E198 WeakPolarHBondContact O-CG 3.28Å; F194-E198 PolarHBondContact O-N 3.35Å; F194-L240 HydrophobicContact CD1-CB 3.83Å; F194-L240 HydrophobicContact CD2-CB 4.04Å; F194-L240 HydrophobicContact CD2-CD1 3.66Å; F194-L240 HydrophobicContact CD2-CG 4.33Å; F194-L240 HydrophobicContact CE1-CB 3.55Å; F194-L240 HydrophobicContact CE2-CB 3.75Å; F194-L240 HydrophobicContact CE2-CD1 3.72Å; F194-L240 HydrophobicContact CE2-CG 4.35Å; F194-L240 HydrophobicContact CG-CB 4.07Å; F194-L240 HydrophobicContact CG-CD1 4.24Å; F194-L240 HydrophobicContact CG-CD2 4.45Å; F194-L240 HydrophobicContact CG-CG 4.49Å; F194-L240 HydrophobicContact CZ-CB 3.51Å; F194-L240 HydrophobicContact CZ-CD1 4.37Å; F194-L241 HydrophobicContact CE1-CD2 3.86Å; F194-L241 HydrophobicContact CE1-CG 4.13Å; F194-L241 HydrophobicContact CZ-CD2 3.99Å; F194-L241 HydrophobicContact CZ-CG 4Å; F194-F245 HydrophobicContact CB-CD2 4.43Å; F194-F245 HydrophobicContact CB-CE2 3.49Å; F194-F245 VanDerWaalsContact CB-CE2 3.49Å; F194-F245 HydrophobicContact CB-CZ 3.96Å |
| 195 | T | 97.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 178.9 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | A191 H192 L199 L215 L216 N219 | A191-T195 WeakPolarHBondContact O-CB 3.16Å; A191-T195 PolarHBondContact O-N 3.47Å; A191-T195 PolarHBondContact O-OG1 3.14Å; H192-T195 PolarHBondContact O-N 2.85Å; T195-L199 HydrophobicContact CG2-CD1 4.17Å; T195-L199 VanDerWaalsContact O-CG 3.26Å; T195-L199 WeakPolarHBondContact O-CG 3.44Å; T195-L199 PolarHBondContact O-N 3.02Å; T195-L199 VanDerWaalsContact O-N 3.09Å; T195-L215 HydrophobicContact CG2-CD2 3.95Å; T195-L215 HydrophobicContact CG2-CG 3.88Å; T195-L216 HydrophobicContact CG2-CD2 3.78Å; T195-L216 HydrophobicContact CG2-CG 4.4Å; T195-N219 WeakPolarHBondContact OG1-CB 3.34Å; T195-N219 PolarHBondContact OG1-ND2 3.11Å |
| 196 | Y | 96.2 | Very high | 93.3 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 21% | 0.212 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 176.3 | -72.8 | -59.1 | 0 | 0 | 0 | 112.3 | H192 A193 F194 E198 L199 D200 M206 L212 L216 | H192-Y196 HydrophobicContact CB-CD2 4.46Å; H192-Y196 HydrophobicContact CB-CE2 4.28Å; H192-Y196 WeakPolarHBondContact O-CD2 3.25Å; H192-Y196 PolarHBondContact O-N 2.96Å; A193-Y196 PolarHBondContact O-N 2.96Å; F194-Y196 PolarHBondContact O-N 3.31Å; Y196-E198 PolarHBondContact O-N 2.93Å; Y196-L199 PolarHBondContact O-N 2.89Å; Y196-D200 PolarHBondContact O-N 2.8Å; Y196-M206 HydrophobicContact CD1-CE 4.15Å; Y196-M206 HydrophobicContact CD1-SD 4.26Å; Y196-M206 HydrophobicContact CE1-SD 4.32Å; Y196-L212 HydrophobicContact CE1-CD1 3.95Å; Y196-L212 HydrophobicContact CE1-CD2 4.06Å; Y196-L212 HydrophobicContact CE1-CG 4.49Å; Y196-L216 HydrophobicContact CE2-CD2 4.16Å |
| 197 | T | 95.1 | Very high | 92.8 | Very high | 22 Ų | 22 | 47.3 Ų | 47.3 | 14% | 0.135 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -36.5 | 179.7 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | I47 A193 F194 A201 | I47-T197 HydrophobicContact CG2-CG2 3.78Å; A193-T197 PolarHBondContact O-N 3.31Å; A193-T197 PolarHBondContact O-OG1 3.01Å; F194-T197 PolarHBondContact O-N 2.89Å; T197-A201 VanDerWaalsContact O-CB 3.26Å; T197-A201 WeakPolarHBondContact O-CB 3.32Å; T197-A201 PolarHBondContact O-N 2.92Å |
| 198 | E | 93.3 | Very high | 92.3 | Very high | 51 Ų | 51 | 56 Ų | 56 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 172.5 | -76 | -175.2 | -172.7 | 0 | 0 | 111.7 | F194 Y196 A201 Q202 G244 F245 | F194-E198 WeakPolarHBondContact O-CB 3.45Å; F194-E198 WeakPolarHBondContact O-CG 3.28Å; F194-E198 PolarHBondContact O-N 3.35Å; Y196-E198 PolarHBondContact O-N 2.93Å; E198-A201 PolarHBondContact O-N 2.74Å; E198-Q202 VanDerWaalsContact O-CG 3.29Å; E198-Q202 WeakPolarHBondContact O-CG 3.44Å; E198-Q202 PolarHBondContact O-N 2.66Å; E198-G244 WeakPolarHBondContact OE1-CA 3.4Å; E198-F245 WeakPolarHBondContact OE1-CD2 3.48Å; E198-F245 PolarHBondContact OE1-N 3.25Å |
| 199 | L | 93.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.8 | -72.4 | 169.7 | 0 | 0 | 0 | 112 | T195 Y196 Q202 M206 P207 L212 L215 | T195-L199 HydrophobicContact CG2-CD1 4.17Å; T195-L199 VanDerWaalsContact O-CG 3.26Å; T195-L199 WeakPolarHBondContact O-CG 3.44Å; T195-L199 PolarHBondContact O-N 3.02Å; T195-L199 VanDerWaalsContact O-N 3.09Å; Y196-L199 PolarHBondContact O-N 2.89Å; L199-Q202 PolarHBondContact O-N 3.5Å; L199-M206 HydrophobicContact CB-CE 4.43Å; L199-M206 HydrophobicContact CD1-SD 3.8Å; L199-P207 HydrophobicContact CD1-CG 4.43Å; L199-P207 HydrophobicContact CD2-CG 4.12Å; L199-L212 HydrophobicContact CD1-CD1 3.91Å; L199-L215 HydrophobicContact CD1-CD2 4.04Å; L199-L215 HydrophobicContact CD2-CD2 4.05Å; L199-L215 HydrophobicContact CG-CD2 4.33Å |
| 200 | D | 91.7 | Very high | 91.7 | Very high | 79 Ų | 79 | 65.5 Ų | 65.5 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 175.5 | -64.9 | -32.6 | 0 | 0 | 0 | 111 | R44 Y196 Q202 G203 | R44-D200 IonicContact CZ-OD2 2.71Å; R44-D200 IonicContact NE-OD2 2.67Å; R44-D200 IonicContact NH2-OD1 3.76Å; R44-D200 IonicContact NH2-OD2 3.36Å; R44-D200 PolarHBondContact NH2-OD2 3.08Å; Y196-D200 PolarHBondContact O-N 2.8Å; D200-Q202 VanDerWaalsContact C-N 3.33Å; D200-Q202 PolarHBondContact O-N 3.29Å; D200-G203 PolarHBondContact O-N 2.9Å; D200-G203 VanDerWaalsContact O-N 3.09Å |
| 201 | A | 89.7 | Confident | 91.5 | Very high | 87 Ų | 87 | 68 Ų | 68 | 72% | 0.719 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.5 | -29.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T197 E198 G203 | T197-A201 VanDerWaalsContact O-CB 3.26Å; T197-A201 WeakPolarHBondContact O-CB 3.32Å; T197-A201 PolarHBondContact O-N 2.92Å; E198-A201 PolarHBondContact O-N 2.74Å; A201-G203 PolarHBondContact O-N 3.07Å |
| 202 | Q | 88.4 | Confident | 91.3 | Very high | 113 Ų | 113 | 68.9 Ų | 68.9 | 53% | 0.528 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.8 | 172.7 | -71.7 | 171.4 | 27.3 | 0 | 0 | 113.1 | E198 L199 D200 N204 | E198-Q202 VanDerWaalsContact O-CG 3.29Å; E198-Q202 WeakPolarHBondContact O-CG 3.44Å; E198-Q202 PolarHBondContact O-N 2.66Å; L199-Q202 PolarHBondContact O-N 3.5Å; D200-Q202 VanDerWaalsContact C-N 3.33Å; D200-Q202 PolarHBondContact O-N 3.29Å; Q202-N204 HydrophobicContact CB-CB 4.48Å; Q202-N204 PolarHBondContact O-N 3.4Å; Q202-N204 VanDerWaalsContact O-N 3.16Å; Q202-N204 PolarHBondContact OE1-ND2 3.47Å |
| 203 | G | 83.3 | Confident | 91.2 | Very high | 68 Ų | 68 | 73.1 Ų | 73.1 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 10 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D200 A201 | D200-G203 PolarHBondContact O-N 2.9Å; D200-G203 VanDerWaalsContact O-N 3.09Å; A201-G203 PolarHBondContact O-N 3.07Å |
| 204 | N | 78.1 | Confident | 91.1 | Very high | 109 Ų | 109 | 79.2 Ų | 79.2 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -76 | 155.4 | 178 | -76 | -38.3 | 0 | 0 | 0 | 110.8 | Q202 M206 | Q202-N204 HydrophobicContact CB-CB 4.48Å; Q202-N204 PolarHBondContact O-N 3.4Å; Q202-N204 VanDerWaalsContact O-N 3.16Å; Q202-N204 PolarHBondContact OE1-ND2 3.47Å; N204-M206 PolarHBondContact O-N 3.07Å |
| 205 | K | 82.4 | Confident | 91 | Very high | 203 Ų | 203 | 81.2 Ų | 81.2 | 88% | 0.883 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 133.6 | 167.3 | -73.8 | -177 | 177.8 | 178.8 | 0 | 109 | ||
| 206 | M | 86 | Confident | 91 | Very high | 86 Ų | 86 | 81.8 Ų | 81.8 | 42% | 0.424 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -48.3 | 131.4 | 174.1 | -170.3 | 61.6 | 57.9 | 0 | 0 | 110.1 | Y196 L199 N204 L212 | Y196-M206 HydrophobicContact CD1-CE 4.15Å; Y196-M206 HydrophobicContact CD1-SD 4.26Å; Y196-M206 HydrophobicContact CE1-SD 4.32Å; L199-M206 HydrophobicContact CB-CE 4.43Å; L199-M206 HydrophobicContact CD1-SD 3.8Å; N204-M206 PolarHBondContact O-N 3.07Å; M206-L212 HydrophobicContact CG-CD2 4.22Å; M206-L212 HydrophobicContact SD-CD1 3.97Å; M206-L212 HydrophobicContact SD-CD2 4.09Å |
| 207 | P | 86.2 | Confident | 91 | Very high | 37 Ų | 37 | 81.9 Ų | 81.9 | 24% | 0.24 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 154.9 | 179.2 | -25 | 34.1 | 0 | 0 | 0 | 112.2 | L199 A211 L212 | L199-P207 HydrophobicContact CD1-CG 4.43Å; L199-P207 HydrophobicContact CD2-CG 4.12Å; P207-A211 HydrophobicContact CB-CB 4.01Å; P207-L212 HydrophobicContact CB-CB 4.25Å |
| 208 | K | 88.3 | Confident | 91.1 | Very high | 183 Ų | 183 | 87 Ų | 87 | 80% | 0.796 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 148.4 | 170.6 | -66.9 | -175.1 | 179.6 | -179 | 0 | 109.9 | D210 A211 L212 | K208-D210 PolarHBondContact O-N 3.32Å; K208-A211 PolarHBondContact O-N 3.39Å; K208-L212 PolarHBondContact O-N 3.48Å |
| 209 | N | 90.2 | Very high | 91.3 | Very high | 120 Ų | 120 | 85.3 Ų | 85.3 | 64% | 0.642 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -43.7 | -44.4 | -173 | -73.1 | -10 | 0 | 0 | 0 | 114.6 | L212 K213 | N209-L212 PolarHBondContact O-N 3.41Å; N209-K213 VanDerWaalsContact O-CG 3.26Å; N209-K213 WeakPolarHBondContact O-CG 3.29Å; N209-K213 PolarHBondContact O-N 3.28Å |
| 210 | D | 93.7 | Very high | 91.6 | Very high | 101 Ų | 101 | 85.3 Ų | 85.3 | 54% | 0.54 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -77.3 | -35.9 | -177 | -53 | -47.2 | 0 | 0 | 0 | 113.1 | K208 L212 K213 L214 | K208-D210 PolarHBondContact O-N 3.32Å; D210-L212 VanDerWaalsContact C-N 3.32Å; D210-L212 PolarHBondContact O-N 3.04Å; D210-K213 PolarHBondContact O-N 3.36Å; D210-K213 IonicContact OD1-NZ 3.02Å; D210-K213 PolarHBondContact OD1-NZ 2.93Å; D210-L214 WeakPolarHBondContact O-CG 3.27Å; D210-L214 PolarHBondContact O-N 2.92Å |
| 211 | A | 93.6 | Very high | 91.8 | Very high | 53 Ų | 53 | 86.9 Ų | 86.9 | 44% | 0.438 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P207 K208 L214 L215 | P207-A211 HydrophobicContact CB-CB 4.01Å; K208-A211 PolarHBondContact O-N 3.39Å; A211-L214 PolarHBondContact O-N 3.5Å; A211-L215 WeakPolarHBondContact O-CB 3.36Å; A211-L215 PolarHBondContact O-N 2.9Å |
| 212 | L | 95.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 83.9 Ų | 83.9 | 9% | 0.094 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 174.1 | 177.5 | 61.6 | 0 | 0 | 0 | 111.7 | Y196 L199 M206 P207 K208 N209 D210 L214 L215 L216 | Y196-L212 HydrophobicContact CE1-CD1 3.95Å; Y196-L212 HydrophobicContact CE1-CD2 4.06Å; Y196-L212 HydrophobicContact CE1-CG 4.49Å; L199-L212 HydrophobicContact CD1-CD1 3.91Å; M206-L212 HydrophobicContact CG-CD2 4.22Å; M206-L212 HydrophobicContact SD-CD1 3.97Å; M206-L212 HydrophobicContact SD-CD2 4.09Å; P207-L212 HydrophobicContact CB-CB 4.25Å; K208-L212 PolarHBondContact O-N 3.48Å; N209-L212 PolarHBondContact O-N 3.41Å; D210-L212 VanDerWaalsContact C-N 3.32Å; D210-L212 PolarHBondContact O-N 3.04Å; L212-L214 PolarHBondContact O-N 2.86Å; L212-L215 PolarHBondContact O-N 3.01Å; L212-L216 HydrophobicContact CD1-CD1 4.02Å; L212-L216 HydrophobicContact CD1-CG 4.11Å; L212-L216 HydrophobicContact CG-CD1 3.89Å; L212-L216 HydrophobicContact CG-CG 4.42Å; L212-L216 WeakPolarHBondContact O-CB 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.34Å; L212-L216 PolarHBondContact O-N 3.01Å |
| 213 | K | 95.7 | Very high | 92.6 | Very high | 128 Ų | 128 | 78.5 Ų | 78.5 | 56% | 0.557 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.8 | -45 | 174.8 | -73.5 | 168.3 | -165.9 | 162.4 | 0 | 111.9 | N209 D210 L216 A217 | N209-K213 VanDerWaalsContact O-CG 3.26Å; N209-K213 WeakPolarHBondContact O-CG 3.29Å; N209-K213 PolarHBondContact O-N 3.28Å; D210-K213 PolarHBondContact O-N 3.36Å; D210-K213 IonicContact OD1-NZ 3.02Å; D210-K213 PolarHBondContact OD1-NZ 2.93Å; K213-L216 PolarHBondContact O-N 2.99Å; K213-A217 WeakPolarHBondContact O-CB 3.45Å; K213-A217 PolarHBondContact O-N 3Å |
| 214 | L | 96.3 | Very high | 93.2 | Very high | 128 Ų | 128 | 77.5 Ų | 77.5 | 67% | 0.67 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.9 | -47.5 | 178.1 | -71.9 | 170.8 | 0 | 0 | 0 | 111.5 | D210 A211 L212 L216 A217 E218 | D210-L214 WeakPolarHBondContact O-CG 3.27Å; D210-L214 PolarHBondContact O-N 2.92Å; A211-L214 PolarHBondContact O-N 3.5Å; L212-L214 PolarHBondContact O-N 2.86Å; L214-L216 PolarHBondContact O-N 3.39Å; L214-A217 PolarHBondContact O-N 2.98Å; L214-E218 WeakPolarHBondContact O-CB 3.42Å; L214-E218 PolarHBondContact O-N 3.48Å |
| 215 | L | 96.1 | Very high | 94 | Very high | 47 Ų | 47 | 73.8 Ų | 73.8 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.3 | -179.8 | 62.4 | 0 | 0 | 0 | 112.5 | T195 L199 A211 L212 A217 E218 N219 | T195-L215 HydrophobicContact CG2-CD2 3.95Å; T195-L215 HydrophobicContact CG2-CG 3.88Å; L199-L215 HydrophobicContact CD1-CD2 4.04Å; L199-L215 HydrophobicContact CD2-CD2 4.05Å; L199-L215 HydrophobicContact CG-CD2 4.33Å; A211-L215 WeakPolarHBondContact O-CB 3.36Å; A211-L215 PolarHBondContact O-N 2.9Å; L212-L215 PolarHBondContact O-N 3.01Å; L215-A217 VanDerWaalsContact C-N 3.33Å; L215-A217 PolarHBondContact O-N 3.33Å; L215-E218 PolarHBondContact O-N 2.96Å; L215-N219 WeakPolarHBondContact O-CB 3.48Å; L215-N219 PolarHBondContact O-N 3.01Å |
| 216 | L | 97.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 64.1 Ų | 64.1 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175.3 | -72 | 167.2 | 0 | 0 | 0 | 111.7 | H192 T195 Y196 L212 K213 L214 T220 | H192-L216 HydrophobicContact CB-CD2 4.01Å; T195-L216 HydrophobicContact CG2-CD2 3.78Å; T195-L216 HydrophobicContact CG2-CG 4.4Å; Y196-L216 HydrophobicContact CE2-CD2 4.16Å; L212-L216 HydrophobicContact CD1-CD1 4.02Å; L212-L216 HydrophobicContact CD1-CG 4.11Å; L212-L216 HydrophobicContact CG-CD1 3.89Å; L212-L216 HydrophobicContact CG-CG 4.42Å; L212-L216 WeakPolarHBondContact O-CB 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.34Å; L212-L216 PolarHBondContact O-N 3.01Å; K213-L216 PolarHBondContact O-N 2.99Å; L214-L216 PolarHBondContact O-N 3.39Å; L216-T220 WeakPolarHBondContact O-CB 3.09Å; L216-T220 PolarHBondContact O-N 3.07Å; L216-T220 PolarHBondContact O-OG1 2.96Å |
| 217 | A | 97.1 | Very high | 95.3 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 46% | 0.463 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K213 L214 L215 T220 L221 | K213-A217 WeakPolarHBondContact O-CB 3.45Å; K213-A217 PolarHBondContact O-N 3Å; L214-A217 PolarHBondContact O-N 2.98Å; L215-A217 VanDerWaalsContact C-N 3.33Å; L215-A217 PolarHBondContact O-N 3.33Å; A217-T220 PolarHBondContact O-N 3.29Å; A217-L221 WeakPolarHBondContact O-CB 3.41Å; A217-L221 PolarHBondContact O-N 2.93Å |
| 218 | E | 97.5 | Very high | 95.7 | Very high | 130 Ų | 130 | 59.3 Ų | 59.3 | 61% | 0.607 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.5 | -52.6 | 176.5 | -176.7 | -179.1 | 176.2 | 0 | 0 | 111.5 | L214 L215 T220 L221 S222 | L214-E218 WeakPolarHBondContact O-CB 3.42Å; L214-E218 PolarHBondContact O-N 3.48Å; L215-E218 PolarHBondContact O-N 2.96Å; E218-T220 VanDerWaalsContact C-N 3.31Å; E218-T220 PolarHBondContact O-N 2.86Å; E218-L221 PolarHBondContact O-N 3.46Å; E218-S222 WeakPolarHBondContact O-CB 3.33Å; E218-S222 PolarHBondContact O-N 3.36Å |
| 219 | N | 98 | Very high | 96.1 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 9% | 0.086 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 178.4 | -81.4 | -9.5 | 0 | 0 | 0 | 112.2 | T195 L215 S222 L223 F245 | T195-N219 WeakPolarHBondContact OG1-CB 3.34Å; T195-N219 PolarHBondContact OG1-ND2 3.11Å; L215-N219 WeakPolarHBondContact O-CB 3.48Å; L215-N219 PolarHBondContact O-N 3.01Å; N219-S222 PolarHBondContact O-N 3.4Å; N219-L223 WeakPolarHBondContact O-CB 3.43Å; N219-L223 PolarHBondContact O-N 2.63Å; N219-F245 HydrophobicContact CB-CD1 3.93Å; N219-F245 HydrophobicContact CB-CD2 4.3Å; N219-F245 HydrophobicContact CB-CE1 3.61Å; N219-F245 HydrophobicContact CB-CE2 4.01Å; N219-F245 HydrophobicContact CB-CG 4.27Å; N219-F245 HydrophobicContact CB-CZ 3.66Å; N219-F245 WeakPolarHBondContact ND2-CD2 3.43Å; N219-F245 WeakPolarHBondContact O-CE1 3.35Å; N219-F245 WeakPolarHBondContact OD1-CG 3.23Å |
| 220 | T | 98.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 171.7 | -67 | 0 | 0 | 0 | 0 | 111.8 | I188 H192 L216 A217 E218 S222 L223 K224 | I188-T220 HydrophobicContact CB-CG2 4.48Å; I188-T220 HydrophobicContact CG1-CG2 3.81Å; H192-T220 PolarHBondContact CD2-OG1 3.45Å; L216-T220 WeakPolarHBondContact O-CB 3.09Å; L216-T220 PolarHBondContact O-N 3.07Å; L216-T220 PolarHBondContact O-OG1 2.96Å; A217-T220 PolarHBondContact O-N 3.29Å; E218-T220 VanDerWaalsContact C-N 3.31Å; E218-T220 PolarHBondContact O-N 2.86Å; T220-S222 VanDerWaalsContact C-N 3.35Å; T220-L223 PolarHBondContact O-N 3.31Å; T220-K224 HydrophobicContact CG2-CD 4.15Å; T220-K224 HydrophobicContact CG2-CG 4.48Å; T220-K224 WeakPolarHBondContact O-CB 3.5Å; T220-K224 VanDerWaalsContact O-CG 3.31Å; T220-K224 WeakPolarHBondContact O-CG 3.21Å; T220-K224 PolarHBondContact O-N 3.09Å |
| 221 | L | 96.2 | Very high | 96.5 | Very high | 111 Ų | 111 | 41.5 Ų | 41.5 | 58% | 0.581 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.8 | -41.6 | 176.7 | 178.8 | 61.1 | 0 | 0 | 0 | 111.3 | A217 E218 S225 | A217-L221 WeakPolarHBondContact O-CB 3.41Å; A217-L221 PolarHBondContact O-N 2.93Å; E218-L221 PolarHBondContact O-N 3.46Å; L221-S225 VanDerWaalsContact O-CB 3.3Å; L221-S225 WeakPolarHBondContact O-CB 3.4Å; L221-S225 PolarHBondContact O-N 2.93Å; L221-S225 PolarHBondContact O-OG 2.72Å |
| 222 | S | 97.3 | Very high | 96.6 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 17% | 0.168 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -49.6 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | E218 N219 T220 S225 A226 R249 | E218-S222 WeakPolarHBondContact O-CB 3.33Å; E218-S222 PolarHBondContact O-N 3.36Å; N219-S222 PolarHBondContact O-N 3.4Å; T220-S222 VanDerWaalsContact C-N 3.35Å; S222-S225 PolarHBondContact O-N 3.34Å; S222-A226 WeakPolarHBondContact O-CB 3.26Å; S222-A226 PolarHBondContact O-N 2.97Å; S222-R249 WeakPolarHBondContact O-CD 3.07Å |
| 223 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.5 | -44.6 | 179.1 | -168.8 | 152.1 | 0 | 0 | 0 | 112.4 | L187 L190 A191 N219 T220 S225 A226 F227 I236 L240 F245 L248 | L187-L223 HydrophobicContact CB-CD2 4Å; L187-L223 HydrophobicContact CD2-CD2 3.41Å; L187-L223 VanDerWaalsContact CD2-CD2 3.41Å; L187-L223 HydrophobicContact CG-CD2 4.31Å; L190-L223 HydrophobicContact CB-CD1 4.43Å; L190-L223 HydrophobicContact CD2-CD1 4.27Å; L190-L223 HydrophobicContact CG-CD1 4.2Å; A191-L223 HydrophobicContact CB-CB 4.11Å; A191-L223 HydrophobicContact CB-CD1 3.91Å; A191-L223 HydrophobicContact CB-CG 4.49Å; N219-L223 WeakPolarHBondContact O-CB 3.43Å; N219-L223 PolarHBondContact O-N 2.63Å; T220-L223 PolarHBondContact O-N 3.31Å; L223-S225 VanDerWaalsContact C-N 3.32Å; L223-S225 PolarHBondContact O-N 3.26Å; L223-A226 PolarHBondContact O-N 2.92Å; L223-F227 WeakPolarHBondContact O-CB 3.34Å; L223-F227 PolarHBondContact O-N 2.98Å; L223-I236 HydrophobicContact CG-CG2 4.49Å; L223-L240 HydrophobicContact CD1-CD1 3.66Å; L223-F245 HydrophobicContact CB-CE1 4.2Å; L223-F245 HydrophobicContact CD1-CE1 4.41Å; L223-L248 HydrophobicContact CB-CD2 4.09Å; L223-L248 HydrophobicContact CG-CD2 4.39Å |
| 224 | K | 96.2 | Very high | 96.9 | Very high | 48 Ų | 48 | 35 Ų | 35 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -41.8 | 175.5 | -73.3 | -175.3 | -179.5 | -157 | 0 | 111.5 | L187 T220 F227 C228 | L187-K224 HydrophobicContact CB-CG 4.26Å; L187-K224 HydrophobicContact CD1-CG 4.43Å; T220-K224 HydrophobicContact CG2-CD 4.15Å; T220-K224 HydrophobicContact CG2-CG 4.48Å; T220-K224 WeakPolarHBondContact O-CB 3.5Å; T220-K224 VanDerWaalsContact O-CG 3.31Å; T220-K224 WeakPolarHBondContact O-CG 3.21Å; T220-K224 PolarHBondContact O-N 3.09Å; K224-F227 PolarHBondContact O-N 3.34Å; K224-C228 WeakPolarHBondContact O-CB 3.38Å; K224-C228 PolarHBondContact O-N 3.39Å; K224-C228 PolarHBondContact O-SG 3.12Å |
| 225 | S | 95.1 | Very high | 97 | Very high | 31 Ų | 31 | 33.3 Ų | 33.3 | 22% | 0.217 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -46.9 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | L221 S222 L223 F227 C228 E229 | L221-S225 VanDerWaalsContact O-CB 3.3Å; L221-S225 WeakPolarHBondContact O-CB 3.4Å; L221-S225 PolarHBondContact O-N 2.93Å; L221-S225 PolarHBondContact O-OG 2.72Å; S222-S225 PolarHBondContact O-N 3.34Å; L223-S225 VanDerWaalsContact C-N 3.32Å; L223-S225 PolarHBondContact O-N 3.26Å; S225-F227 VanDerWaalsContact C-N 3.31Å; S225-F227 PolarHBondContact O-N 3.14Å; S225-C228 PolarHBondContact O-N 3.49Å; S225-C228 VanDerWaalsContact O-N 3.12Å; S225-E229 PolarHBondContact O-N 3.5Å |
| 226 | A | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | S222 L223 E229 C230 L248 C252 | S222-A226 WeakPolarHBondContact O-CB 3.26Å; S222-A226 PolarHBondContact O-N 2.97Å; L223-A226 PolarHBondContact O-N 2.92Å; A226-E229 PolarHBondContact O-N 2.96Å; A226-C230 CarbonylContact O-C 3.56Å; A226-C230 WeakPolarHBondContact O-CA 3.43Å; A226-C230 WeakPolarHBondContact O-CB 3.38Å; A226-C230 PolarHBondContact O-N 3.35Å; A226-L248 HydrophobicContact CB-CD1 4.11Å; A226-L248 HydrophobicContact CB-CD2 4.08Å; A226-L248 HydrophobicContact CB-CG 3.78Å; A226-C252 HydrophobicContact CB-CB 4.03Å |
| 227 | F | 97.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.2 | -30.4 | 176.4 | -177.6 | -105 | 0 | 0 | 0 | 113.7 | E183 L187 L223 K224 S225 C230 P231 Y233 I236 | E183-F227 VanDerWaalsContact CD-CE1 3.49Å; E183-F227 HydrophobicContact CG-CE1 4.29Å; E183-F227 WeakPolarHBondContact OE1-CZ 3.49Å; E183-F227 WeakPolarHBondContact OE2-CE1 3.5Å; L187-F227 HydrophobicContact CD1-CD1 3.72Å; L187-F227 HydrophobicContact CD1-CE1 4.11Å; L187-F227 HydrophobicContact CD1-CG 4.38Å; L187-F227 HydrophobicContact CD2-CB 4.05Å; L187-F227 HydrophobicContact CD2-CD1 3.99Å; L187-F227 HydrophobicContact CD2-CD2 4.3Å; L187-F227 HydrophobicContact CD2-CG 3.84Å; L223-F227 WeakPolarHBondContact O-CB 3.34Å; L223-F227 PolarHBondContact O-N 2.98Å; K224-F227 PolarHBondContact O-N 3.34Å; S225-F227 VanDerWaalsContact C-N 3.31Å; S225-F227 PolarHBondContact O-N 3.14Å; F227-C230 CarbonylContact O-C 3.56Å; F227-P231 HydrophobicContact CD2-CB 4.38Å; F227-P231 HydrophobicContact CE2-CB 4Å; F227-P231 HydrophobicContact CZ-CB 4.13Å; F227-P231 WeakPolarHBondContact O-CA 3.26Å; F227-P231 WeakPolarHBondContact O-CB 3.36Å; F227-P231 VanDerWaalsContact O-N 3.09Å; F227-Y233 HydrophobicContact CD2-CD1 4.42Å; F227-Y233 AromaticContact CD2-CE1 3.98Å; F227-Y233 HydrophobicContact CD2-CE1 3.98Å; F227-Y233 HydrophobicContact CD2-CE2 4.29Å; F227-Y233 AromaticContact CD2-CZ 3.91Å; F227-Y233 HydrophobicContact CE2-CD1 4.33Å; F227-Y233 AromaticContact CE2-CD2 3.91Å; F227-Y233 HydrophobicContact CE2-CD2 3.91Å; F227-Y233 AromaticContact CE2-CE1 3.85Å; F227-Y233 HydrophobicContact CE2-CE1 3.85Å; F227-Y233 AromaticContact CE2-CE2 3.35Å; F227-Y233 HydrophobicContact CE2-CE2 3.35Å; F227-Y233 HydrophobicContact CE2-CG 4.36Å; F227-Y233 AromaticContact CE2-CZ 3.33Å; F227-Y233 HydrophobicContact CZ-CE1 4.5Å; F227-Y233 AromaticContact CZ-CE2 3.68Å; F227-Y233 HydrophobicContact CZ-CE2 3.68Å; F227-Y233 AromaticContact CZ-CZ 3.63Å; F227-Y233 WeakPolarHBondContact CZ-OH 3.48Å; F227-I236 HydrophobicContact CB-CD1 3.77Å; F227-I236 HydrophobicContact CD2-CD1 3.77Å; F227-I236 HydrophobicContact CG-CD1 4.28Å |
| 228 | C | 95.1 | Very high | 97.1 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 11% | 0.108 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.9 | -37.6 | 175.6 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | K224 S225 K261 I460 A461 | K224-C228 WeakPolarHBondContact O-CB 3.38Å; K224-C228 PolarHBondContact O-N 3.39Å; K224-C228 PolarHBondContact O-SG 3.12Å; S225-C228 PolarHBondContact O-N 3.49Å; S225-C228 VanDerWaalsContact O-N 3.12Å; C228-K261 PolarHBondContact O-N 2.84Å; C228-I460 HydrophobicContact CB-CG2 3.68Å; C228-I460 WeakPolarHBondContact O-CG2 3.41Å; C228-A461 HydrophobicContact CB-CB 3.94Å; C228-A461 WeakPolarHBondContact SG-CB 3.15Å |
| 229 | E | 95.9 | Very high | 97.2 | Very high | 24 Ų | 24 | 26 Ų | 26 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.3 | -37.3 | 173.8 | -74.7 | 173.5 | -137.9 | 0 | 0 | 113.4 | S225 A226 R249 I254 I460 | S225-E229 PolarHBondContact O-N 3.5Å; A226-E229 PolarHBondContact O-N 2.96Å; E229-R249 IonicContact OE1-CZ 3.99Å; E229-R249 IonicContact OE1-NE 3.5Å; E229-R249 PolarHBondContact OE1-NE 3.41Å; E229-R249 IonicContact OE1-NH2 2.66Å; E229-R249 PolarHBondContact OE1-NH2 3.17Å; E229-I254 HydrophobicContact CB-CG1 4.12Å; E229-I254 HydrophobicContact CG-CG1 4.09Å; E229-I460 HydrophobicContact CG-CD1 3.47Å; E229-I460 VanDerWaalsContact CG-CD1 3.47Å |
| 230 | C | 96.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -140.4 | 80.8 | -174.6 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | A226 F227 N232 C252 | A226-C230 CarbonylContact O-C 3.56Å; A226-C230 WeakPolarHBondContact O-CA 3.43Å; A226-C230 WeakPolarHBondContact O-CB 3.38Å; A226-C230 PolarHBondContact O-N 3.35Å; F227-C230 CarbonylContact O-C 3.56Å; C230-N232 PolarHBondContact O-N 3.25Å; C230-C252 HydrophobicContact CB-CB 4.4Å |
| 231 | P | 96.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | trans | -74.1 | 67 | -177.9 | 29.5 | -35.3 | 0 | 0 | 0 | 111.6 | F227 P259 L310 | F227-P231 HydrophobicContact CD2-CB 4.38Å; F227-P231 HydrophobicContact CE2-CB 4Å; F227-P231 HydrophobicContact CZ-CB 4.13Å; F227-P231 WeakPolarHBondContact O-CA 3.26Å; F227-P231 WeakPolarHBondContact O-CB 3.36Å; F227-P231 VanDerWaalsContact O-N 3.09Å; P231-P259 WeakPolarHBondContact CD-O 3.46Å; P231-P259 WeakPolarHBondContact CG-O 3.4Å; P231-L310 HydrophobicContact CB-CD1 3.75Å; P231-L310 HydrophobicContact CG-CD1 3.62Å; P231-L310 HydrophobicContact CG-CD2 4.38Å | ||
| 232 | N | 97.5 | Very high | 97.1 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.064 | 14% | 0.143 | C | C | . | . | trans | -140.7 | 104.2 | -176.9 | 179.5 | -42.1 | 0 | 0 | 0 | 108.8 | P67 Y69 C230 D234 R235 I236 | P67-N232 HydrophobicContact CG-CB 4.27Å; Y69-N232 PolarHBondContact OH-ND2 3.37Å; C230-N232 PolarHBondContact O-N 3.25Å; N232-D234 VanDerWaalsContact C-N 3.32Å; N232-D234 PolarHBondContact O-N 2.81Å; N232-D234 WeakPolarHBondContact OD1-CA 3.36Å; N232-D234 VanDerWaalsContact OD1-CB 3.3Å; N232-D234 WeakPolarHBondContact OD1-CB 3.44Å; N232-D234 PolarHBondContact OD1-N 2.8Å; N232-R235 HydrophobicContact CB-CB 4.47Å; N232-R235 PolarHBondContact O-N 2.94Å; N232-R235 PolarHBondContact OD1-N 2.88Å; N232-I236 WeakPolarHBondContact O-CG1 3.47Å; N232-I236 PolarHBondContact O-N 3.2Å | ||
| 233 | Y | 98 | Very high | 97 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.5 | -29.6 | 179.1 | -70.5 | -72.7 | 0 | 0 | 0 | 112.9 | L55 I58 Y59 L62 E183 L186 L187 F227 R235 I236 V237 | L55-Y233 VanDerWaalsContact CD1-C 3.48Å; I58-Y233 HydrophobicContact CG2-CD1 3.78Å; I58-Y233 HydrophobicContact CG2-CD2 4.05Å; I58-Y233 HydrophobicContact CG2-CE1 4.06Å; I58-Y233 HydrophobicContact CG2-CE2 4.32Å; I58-Y233 HydrophobicContact CG2-CG 3.77Å; Y59-Y233 AromaticContact CE1-CD2 3.88Å; Y59-Y233 HydrophobicContact CE1-CD2 3.88Å; L62-Y233 HydrophobicContact CD1-CD2 4.08Å; L62-Y233 HydrophobicContact CD1-CE2 3.25Å; E183-Y233 WeakPolarHBondContact CG-OH 3.27Å; L186-Y233 HydrophobicContact CD2-CE1 4.16Å; L187-Y233 HydrophobicContact CD2-CE1 3.7Å; F227-Y233 HydrophobicContact CD2-CD1 4.42Å; F227-Y233 AromaticContact CD2-CE1 3.98Å; F227-Y233 HydrophobicContact CD2-CE1 3.98Å; F227-Y233 HydrophobicContact CD2-CE2 4.29Å; F227-Y233 AromaticContact CD2-CZ 3.91Å; F227-Y233 HydrophobicContact CE2-CD1 4.33Å; F227-Y233 AromaticContact CE2-CD2 3.91Å; F227-Y233 HydrophobicContact CE2-CD2 3.91Å; F227-Y233 AromaticContact CE2-CE1 3.85Å; F227-Y233 HydrophobicContact CE2-CE1 3.85Å; F227-Y233 AromaticContact CE2-CE2 3.35Å; F227-Y233 HydrophobicContact CE2-CE2 3.35Å; F227-Y233 HydrophobicContact CE2-CG 4.36Å; F227-Y233 AromaticContact CE2-CZ 3.33Å; F227-Y233 HydrophobicContact CZ-CE1 4.5Å; F227-Y233 AromaticContact CZ-CE2 3.68Å; F227-Y233 HydrophobicContact CZ-CE2 3.68Å; F227-Y233 AromaticContact CZ-CZ 3.63Å; F227-Y233 WeakPolarHBondContact CZ-OH 3.48Å; Y233-R235 VanDerWaalsContact C-N 3.33Å; Y233-R235 PolarHBondContact O-N 3.48Å; Y233-I236 PolarHBondContact O-N 3.32Å; Y233-V237 VanDerWaalsContact O-CB 3.23Å; Y233-V237 WeakPolarHBondContact O-CB 3.16Å; Y233-V237 VanDerWaalsContact O-CG2 3.23Å; Y233-V237 WeakPolarHBondContact O-CG2 3.46Å; Y233-V237 PolarHBondContact O-N 3.35Å |
| 234 | D | 97.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 34.8 Ų | 34.8 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.7 | -47.1 | 177.5 | -52.1 | -122.5 | 0 | 0 | 0 | 110.2 | L55 Y59 N232 D238 | L55-D234 HydrophobicContact CD1-CB 4.49Å; L55-D234 HydrophobicContact CD2-CB 3.94Å; Y59-D234 WeakPolarHBondContact CE2-OD2 3.38Å; Y59-D234 VanDerWaalsContact CZ-OD2 3.31Å; Y59-D234 PolarHBondContact OH-OD2 3.15Å; N232-D234 VanDerWaalsContact C-N 3.32Å; N232-D234 PolarHBondContact O-N 2.81Å; N232-D234 WeakPolarHBondContact OD1-CA 3.36Å; N232-D234 VanDerWaalsContact OD1-CB 3.3Å; N232-D234 WeakPolarHBondContact OD1-CB 3.44Å; N232-D234 PolarHBondContact OD1-N 2.8Å; D234-D238 VanDerWaalsContact O-CB 3.24Å; D234-D238 WeakPolarHBondContact O-CB 3.3Å; D234-D238 PolarHBondContact O-N 2.8Å; D234-D238 VanDerWaalsContact O-N 3.1Å |
| 235 | R | 97.6 | Very high | 96.8 | Very high | 91 Ų | 91 | 33 Ų | 33 | 34% | 0.343 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -68.8 | -46.9 | 176.8 | -70.6 | -176.2 | 176.9 | -166.4 | 0.8 | 112.8 | N232 Y233 V237 D238 V239 T255 | N232-R235 HydrophobicContact CB-CB 4.47Å; N232-R235 PolarHBondContact O-N 2.94Å; N232-R235 PolarHBondContact OD1-N 2.88Å; Y233-R235 VanDerWaalsContact C-N 3.33Å; Y233-R235 PolarHBondContact O-N 3.48Å; R235-V237 PolarHBondContact O-N 3Å; R235-D238 PolarHBondContact O-N 2.81Å; R235-V239 WeakPolarHBondContact O-CG2 3.43Å; R235-V239 PolarHBondContact O-N 2.81Å; R235-T255 PolarHBondContact NH1-OG1 3.5Å |
| 236 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | -177.3 | -72.3 | 166.5 | 0 | 0 | 0 | 111 | L223 F227 N232 Y233 L240 L248 C252 | L223-I236 HydrophobicContact CG-CG2 4.49Å; F227-I236 HydrophobicContact CB-CD1 3.77Å; F227-I236 HydrophobicContact CD2-CD1 3.77Å; F227-I236 HydrophobicContact CG-CD1 4.28Å; N232-I236 WeakPolarHBondContact O-CG1 3.47Å; N232-I236 PolarHBondContact O-N 3.2Å; Y233-I236 PolarHBondContact O-N 3.32Å; I236-L240 HydrophobicContact CG2-CD1 3.71Å; I236-L240 HydrophobicContact CG2-CG 4.49Å; I236-L240 WeakPolarHBondContact O-CB 3.43Å; I236-L240 VanDerWaalsContact O-CG 3.25Å; I236-L240 WeakPolarHBondContact O-CG 3.43Å; I236-L240 PolarHBondContact O-N 3.41Å; I236-L248 HydrophobicContact CG1-CD1 4.37Å; I236-L248 HydrophobicContact CG2-CD1 4.16Å; I236-C252 HydrophobicContact CG1-CB 4.05Å |
| 237 | V | 98.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.2 | -41.1 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | L54 L55 I58 Y233 R235 L240 L241 | L54-V237 HydrophobicContact CD2-CG1 3.99Å; L54-V237 HydrophobicContact CG-CG1 4.39Å; L55-V237 HydrophobicContact CB-CG1 4.21Å; L55-V237 HydrophobicContact CD1-CB 4.41Å; L55-V237 HydrophobicContact CD1-CG2 4.18Å; I58-V237 HydrophobicContact CD1-CG2 3.46Å; I58-V237 VanDerWaalsContact CD1-CG2 3.46Å; Y233-V237 VanDerWaalsContact O-CB 3.23Å; Y233-V237 WeakPolarHBondContact O-CB 3.16Å; Y233-V237 VanDerWaalsContact O-CG2 3.23Å; Y233-V237 WeakPolarHBondContact O-CG2 3.46Å; Y233-V237 PolarHBondContact O-N 3.35Å; R235-V237 PolarHBondContact O-N 3Å; V237-L240 PolarHBondContact O-N 3.4Å; V237-L241 HydrophobicContact CG1-CD1 3.6Å; V237-L241 HydrophobicContact CG1-CG 4.14Å; V237-L241 VanDerWaalsContact O-CB 3.3Å; V237-L241 WeakPolarHBondContact O-CB 3.39Å; V237-L241 VanDerWaalsContact O-CG 3.25Å; V237-L241 WeakPolarHBondContact O-CG 3.33Å; V237-L241 PolarHBondContact O-N 3.03Å |
| 238 | D | 98 | Very high | 96.8 | Very high | 84 Ų | 84 | 38 Ų | 38 | 45% | 0.449 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 176.6 | -174.7 | 62.3 | 0 | 0 | 0 | 112.4 | D234 R235 H242 | D234-D238 VanDerWaalsContact O-CB 3.24Å; D234-D238 WeakPolarHBondContact O-CB 3.3Å; D234-D238 PolarHBondContact O-N 2.8Å; D234-D238 VanDerWaalsContact O-N 3.1Å; R235-D238 PolarHBondContact O-N 2.81Å; D238-H242 WeakPolarHBondContact O-CB 3.47Å; D238-H242 PolarHBondContact O-N 3.23Å; D238-H242 VanDerWaalsContact O-N 3.11Å; D238-H242 PolarHBondContact O-ND1 2.9Å; D238-H242 IonicContact OD1-CE1 2.65Å; D238-H242 PolarHBondContact OD1-CE1 2.86Å; D238-H242 IonicContact OD1-ND1 3.89Å; D238-H242 PolarHBondContact OD1-ND1 2.92Å |
| 239 | V | 98.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 177.8 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | R235 H242 R243 G244 L248 E251 | R235-V239 WeakPolarHBondContact O-CG2 3.43Å; R235-V239 PolarHBondContact O-N 2.81Å; V239-H242 PolarHBondContact O-N 2.96Å; V239-R243 HydrophobicContact CG1-CB 4.37Å; V239-R243 CarbonylContact O-C 3.59Å; V239-R243 WeakPolarHBondContact O-CA 3.16Å; V239-R243 WeakPolarHBondContact O-CB 3.3Å; V239-R243 PolarHBondContact O-N 2.57Å; V239-G244 PolarHBondContact O-N 3.27Å; V239-G244 VanDerWaalsContact O-N 3.07Å; V239-L248 HydrophobicContact CG1-CD1 4.43Å; V239-E251 HydrophobicContact CG1-CB 4.29Å; V239-E251 HydrophobicContact CG2-CB 3.8Å |
| 240 | L | 98.1 | Very high | 96.7 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 178.7 | -74.3 | 169.6 | 0 | 0 | 0 | 112.7 | F194 L223 I236 V237 G244 F245 L248 | F194-L240 HydrophobicContact CD1-CB 3.83Å; F194-L240 HydrophobicContact CD2-CB 4.04Å; F194-L240 HydrophobicContact CD2-CD1 3.66Å; F194-L240 HydrophobicContact CD2-CG 4.33Å; F194-L240 HydrophobicContact CE1-CB 3.55Å; F194-L240 HydrophobicContact CE2-CB 3.75Å; F194-L240 HydrophobicContact CE2-CD1 3.72Å; F194-L240 HydrophobicContact CE2-CG 4.35Å; F194-L240 HydrophobicContact CG-CB 4.07Å; F194-L240 HydrophobicContact CG-CD1 4.24Å; F194-L240 HydrophobicContact CG-CD2 4.45Å; F194-L240 HydrophobicContact CG-CG 4.49Å; F194-L240 HydrophobicContact CZ-CB 3.51Å; F194-L240 HydrophobicContact CZ-CD1 4.37Å; L223-L240 HydrophobicContact CD1-CD1 3.66Å; I236-L240 HydrophobicContact CG2-CD1 3.71Å; I236-L240 HydrophobicContact CG2-CG 4.49Å; I236-L240 WeakPolarHBondContact O-CB 3.43Å; I236-L240 VanDerWaalsContact O-CG 3.25Å; I236-L240 WeakPolarHBondContact O-CG 3.43Å; I236-L240 PolarHBondContact O-N 3.41Å; V237-L240 PolarHBondContact O-N 3.4Å; L240-G244 PolarHBondContact O-N 3.47Å; L240-F245 HydrophobicContact CD2-CD1 3.94Å; L240-F245 HydrophobicContact CD2-CD2 4.17Å; L240-F245 HydrophobicContact CD2-CE1 3.97Å; L240-F245 HydrophobicContact CD2-CE2 4.21Å; L240-F245 HydrophobicContact CD2-CG 4.04Å; L240-F245 HydrophobicContact CD2-CZ 4.1Å; L240-L248 HydrophobicContact CD2-CD1 4.42Å; L240-L248 HydrophobicContact CD2-CD2 4.1Å; L240-L248 HydrophobicContact CG-CD1 4.16Å |
| 241 | L | 96.7 | Very high | 96.6 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 28% | 0.277 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.6 | -37 | 178.5 | -75.6 | 172.6 | 0 | 0 | 0 | 113.2 | I47 P51 L54 F194 V237 | I47-L241 HydrophobicContact CG2-CD2 4.1Å; P51-L241 HydrophobicContact CB-CD1 4.13Å; P51-L241 HydrophobicContact CB-CD2 3.66Å; L54-L241 HydrophobicContact CD2-CD2 4.43Å; F194-L241 HydrophobicContact CE1-CD2 3.86Å; F194-L241 HydrophobicContact CE1-CG 4.13Å; F194-L241 HydrophobicContact CZ-CD2 3.99Å; F194-L241 HydrophobicContact CZ-CG 4Å; V237-L241 HydrophobicContact CG1-CD1 3.6Å; V237-L241 HydrophobicContact CG1-CG 4.14Å; V237-L241 VanDerWaalsContact O-CB 3.3Å; V237-L241 WeakPolarHBondContact O-CB 3.39Å; V237-L241 VanDerWaalsContact O-CG 3.25Å; V237-L241 WeakPolarHBondContact O-CG 3.33Å; V237-L241 PolarHBondContact O-N 3.03Å |
| 242 | H | 95.9 | Very high | 96.6 | Very high | 135 Ų | 135 | 52.5 Ų | 52.5 | 63% | 0.625 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -104.6 | -20.1 | -170.9 | -59.5 | 116.7 | 0 | 0 | 0 | 114.8 | D238 V239 | D238-H242 WeakPolarHBondContact O-CB 3.47Å; D238-H242 PolarHBondContact O-N 3.23Å; D238-H242 VanDerWaalsContact O-N 3.11Å; D238-H242 PolarHBondContact O-ND1 2.9Å; D238-H242 IonicContact OD1-CE1 2.65Å; D238-H242 PolarHBondContact OD1-CE1 2.86Å; D238-H242 IonicContact OD1-ND1 3.89Å; D238-H242 PolarHBondContact OD1-ND1 2.92Å; V239-H242 PolarHBondContact O-N 2.96Å |
| 243 | R | 95.1 | Very high | 96.5 | Very high | 144 Ų | 144 | 54.1 Ų | 54.1 | 54% | 0.543 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -138.5 | -9.3 | -170.7 | -50.7 | -174.5 | -179.7 | -145.7 | -1.8 | 114.9 | V239 S247 E251 | V239-R243 HydrophobicContact CG1-CB 4.37Å; V239-R243 CarbonylContact O-C 3.59Å; V239-R243 WeakPolarHBondContact O-CA 3.16Å; V239-R243 WeakPolarHBondContact O-CB 3.3Å; V239-R243 PolarHBondContact O-N 2.57Å; R243-S247 PolarHBondContact O-OG 3.02Å; R243-E251 WeakPolarHBondContact CD-OE1 3.37Å; R243-E251 WeakPolarHBondContact CD-OE2 3.47Å; R243-E251 IonicContact CZ-OE1 3.61Å; R243-E251 IonicContact CZ-OE2 2.67Å; R243-E251 VanDerWaalsContact CZ-OE2 3.3Å; R243-E251 IonicContact NE-OE1 3.33Å; R243-E251 IonicContact NE-OE2 2.65Å; R243-E251 PolarHBondContact NE-OE2 3.08Å; R243-E251 VanDerWaalsContact NH1-CD 3.27Å; R243-E251 IonicContact NH1-OE1 2.68Å; R243-E251 PolarHBondContact NH1-OE1 3.32Å; R243-E251 IonicContact NH1-OE2 2.78Å; R243-E251 PolarHBondContact NH1-OE2 3.38Å; R243-E251 VanDerWaalsContact NH1-OE2 3.11Å |
| 244 | G | 95 | Very high | 96.4 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | trans | 67.5 | -177.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | E198 V239 L240 S246 S247 | E198-G244 WeakPolarHBondContact OE1-CA 3.4Å; V239-G244 PolarHBondContact O-N 3.27Å; V239-G244 VanDerWaalsContact O-N 3.07Å; L240-G244 PolarHBondContact O-N 3.47Å; G244-S246 VanDerWaalsContact C-N 3.29Å; G244-S246 PolarHBondContact O-N 3.48Å; G244-S247 PolarHBondContact O-N 3.06Å | ||
| 245 | F | 95.8 | Very high | 96.4 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.1 | -34.2 | -174.9 | -86.3 | -75.6 | 0 | 0 | 0 | 114.9 | A191 F194 E198 N219 L223 L240 S247 L248 | A191-F245 HydrophobicContact CB-CZ 4.33Å; F194-F245 HydrophobicContact CB-CD2 4.43Å; F194-F245 HydrophobicContact CB-CE2 3.49Å; F194-F245 VanDerWaalsContact CB-CE2 3.49Å; F194-F245 HydrophobicContact CB-CZ 3.96Å; E198-F245 WeakPolarHBondContact OE1-CD2 3.48Å; E198-F245 PolarHBondContact OE1-N 3.25Å; N219-F245 HydrophobicContact CB-CD1 3.93Å; N219-F245 HydrophobicContact CB-CD2 4.3Å; N219-F245 HydrophobicContact CB-CE1 3.61Å; N219-F245 HydrophobicContact CB-CE2 4.01Å; N219-F245 HydrophobicContact CB-CG 4.27Å; N219-F245 HydrophobicContact CB-CZ 3.66Å; N219-F245 WeakPolarHBondContact ND2-CD2 3.43Å; N219-F245 WeakPolarHBondContact O-CE1 3.35Å; N219-F245 WeakPolarHBondContact OD1-CG 3.23Å; L223-F245 HydrophobicContact CB-CE1 4.2Å; L223-F245 HydrophobicContact CD1-CE1 4.41Å; L240-F245 HydrophobicContact CD2-CD1 3.94Å; L240-F245 HydrophobicContact CD2-CD2 4.17Å; L240-F245 HydrophobicContact CD2-CE1 3.97Å; L240-F245 HydrophobicContact CD2-CE2 4.21Å; L240-F245 HydrophobicContact CD2-CG 4.04Å; L240-F245 HydrophobicContact CD2-CZ 4.1Å; F245-S247 PolarHBondContact O-N 2.83Å; F245-L248 HydrophobicContact CD1-CD2 4.01Å; F245-L248 HydrophobicContact CE1-CD2 4.17Å; F245-L248 WeakPolarHBondContact O-CB 3.2Å; F245-L248 PolarHBondContact O-N 2.77Å; F245-L248 VanDerWaalsContact O-N 3.08Å |
| 246 | S | 94.3 | Very high | 96.4 | Very high | 114 Ų | 114 | 50.4 Ų | 50.4 | 80% | 0.797 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.6 | -25.9 | -177.7 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | G244 | G244-S246 VanDerWaalsContact C-N 3.29Å; G244-S246 PolarHBondContact O-N 3.48Å |
| 247 | S | 96.5 | Very high | 96.3 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -95.5 | -14.3 | 178.3 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | R243 G244 F245 R249 K250 E251 | R243-S247 PolarHBondContact O-OG 3.02Å; G244-S247 PolarHBondContact O-N 3.06Å; F245-S247 PolarHBondContact O-N 2.83Å; S247-R249 PolarHBondContact O-N 3.34Å; S247-K250 PolarHBondContact O-N 3.43Å; S247-K250 VanDerWaalsContact O-N 3.13Å; S247-E251 PolarHBondContact O-N 3.1Å; S247-E251 VanDerWaalsContact O-N 3.08Å |
| 248 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -55 | -166.9 | -177.9 | 61.3 | 0 | 0 | 0 | 113.4 | L223 A226 I236 V239 L240 F245 K250 E251 C252 | L223-L248 HydrophobicContact CB-CD2 4.09Å; L223-L248 HydrophobicContact CG-CD2 4.39Å; A226-L248 HydrophobicContact CB-CD1 4.11Å; A226-L248 HydrophobicContact CB-CD2 4.08Å; A226-L248 HydrophobicContact CB-CG 3.78Å; I236-L248 HydrophobicContact CG1-CD1 4.37Å; I236-L248 HydrophobicContact CG2-CD1 4.16Å; V239-L248 HydrophobicContact CG1-CD1 4.43Å; L240-L248 HydrophobicContact CD2-CD1 4.42Å; L240-L248 HydrophobicContact CD2-CD2 4.1Å; L240-L248 HydrophobicContact CG-CD1 4.16Å; F245-L248 HydrophobicContact CD1-CD2 4.01Å; F245-L248 HydrophobicContact CE1-CD2 4.17Å; F245-L248 WeakPolarHBondContact O-CB 3.2Å; F245-L248 PolarHBondContact O-N 2.77Å; F245-L248 VanDerWaalsContact O-N 3.08Å; L248-K250 PolarHBondContact O-N 2.99Å; L248-E251 PolarHBondContact O-N 2.97Å; L248-C252 HydrophobicContact CD1-CB 4.08Å; L248-C252 WeakPolarHBondContact O-CA 3.19Å; L248-C252 VanDerWaalsContact O-CB 3.3Å; L248-C252 WeakPolarHBondContact O-CB 3.13Å; L248-C252 PolarHBondContact O-N 2.94Å |
| 249 | R | 94.8 | Very high | 96.2 | Very high | 111 Ų | 111 | 46.9 Ų | 46.9 | 42% | 0.419 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.4 | -19.7 | -178.7 | -69.5 | -66.9 | -58.9 | -66.5 | 3.7 | 113.8 | S222 E229 S247 | S222-R249 WeakPolarHBondContact O-CD 3.07Å; E229-R249 IonicContact OE1-CZ 3.99Å; E229-R249 IonicContact OE1-NE 3.5Å; E229-R249 PolarHBondContact OE1-NE 3.41Å; E229-R249 IonicContact OE1-NH2 2.66Å; E229-R249 PolarHBondContact OE1-NH2 3.17Å; S247-R249 PolarHBondContact O-N 3.34Å |
| 250 | K | 94 | Very high | 96.1 | Very high | 172 Ų | 172 | 46.6 Ų | 46.6 | 75% | 0.748 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -80.5 | -37.7 | 177.8 | -175.2 | -179.5 | 176.3 | -175.9 | 0 | 111.8 | S247 L248 C253 | S247-K250 PolarHBondContact O-N 3.43Å; S247-K250 VanDerWaalsContact O-N 3.13Å; L248-K250 PolarHBondContact O-N 2.99Å; K250-C253 PolarHBondContact O-SG 3.1Å |
| 251 | E | 95.2 | Very high | 96 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -102.1 | -25.3 | -173.6 | -62.4 | -172.2 | -147 | 0 | 0 | 113.4 | V239 R243 S247 L248 | V239-E251 HydrophobicContact CG1-CB 4.29Å; V239-E251 HydrophobicContact CG2-CB 3.8Å; R243-E251 WeakPolarHBondContact CD-OE1 3.37Å; R243-E251 WeakPolarHBondContact CD-OE2 3.47Å; R243-E251 IonicContact CZ-OE1 3.61Å; R243-E251 IonicContact CZ-OE2 2.67Å; R243-E251 VanDerWaalsContact CZ-OE2 3.3Å; R243-E251 IonicContact NE-OE1 3.33Å; R243-E251 IonicContact NE-OE2 2.65Å; R243-E251 PolarHBondContact NE-OE2 3.08Å; R243-E251 VanDerWaalsContact NH1-CD 3.27Å; R243-E251 IonicContact NH1-OE1 2.68Å; R243-E251 PolarHBondContact NH1-OE1 3.32Å; R243-E251 IonicContact NH1-OE2 2.78Å; R243-E251 PolarHBondContact NH1-OE2 3.38Å; R243-E251 VanDerWaalsContact NH1-OE2 3.11Å; S247-E251 PolarHBondContact O-N 3.1Å; S247-E251 VanDerWaalsContact O-N 3.08Å; L248-E251 PolarHBondContact O-N 2.97Å |
| 252 | C | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -104 | 58.5 | 171.8 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | A226 C230 I236 L248 | A226-C252 HydrophobicContact CB-CB 4.03Å; C230-C252 HydrophobicContact CB-CB 4.4Å; I236-C252 HydrophobicContact CG1-CB 4.05Å; L248-C252 HydrophobicContact CD1-CB 4.08Å; L248-C252 WeakPolarHBondContact O-CA 3.19Å; L248-C252 VanDerWaalsContact O-CB 3.3Å; L248-C252 WeakPolarHBondContact O-CB 3.13Å; L248-C252 PolarHBondContact O-N 2.94Å |
| 253 | C | 94.5 | Very high | 95.8 | Very high | 47 Ų | 47 | 40 Ų | 40 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -106.8 | 174.8 | 176 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | K250 T255 | K250-C253 PolarHBondContact O-SG 3.1Å; C253-T255 PolarHBondContact O-N 3.08Å; C253-T255 VanDerWaalsContact O-N 3.1Å; C253-T255 PolarHBondContact O-OG1 2.89Å; C253-T255 VanDerWaalsContact O-OG1 3.04Å |
| 254 | I | 97.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | trans | -49.9 | 116.7 | 178.7 | -62.4 | 171.8 | 0 | 0 | 0 | 110.9 | E229 I260 I342 Y389 T396 I460 | E229-I254 HydrophobicContact CB-CG1 4.12Å; E229-I254 HydrophobicContact CG-CG1 4.09Å; I254-I260 HydrophobicContact CB-CD1 4.35Å; I254-I260 HydrophobicContact CD1-CD1 4.08Å; I254-I260 HydrophobicContact CG1-CD1 3.99Å; I254-I260 HydrophobicContact CG1-CG1 4.29Å; I254-I260 HydrophobicContact CG2-CD1 3.49Å; I254-I260 VanDerWaalsContact CG2-CD1 3.49Å; I254-I260 HydrophobicContact CG2-CG1 4.05Å; I254-I342 HydrophobicContact CG2-CD1 3.56Å; I254-Y389 HydrophobicContact CB-CD2 4.36Å; I254-Y389 HydrophobicContact CG2-CD2 3.7Å; I254-Y389 HydrophobicContact CG2-CG 4.29Å; I254-T396 HydrophobicContact CD1-CG2 3.66Å; I254-I460 HydrophobicContact CD1-CD1 4.2Å | ||
| 255 | T | 96.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | trans | -125.2 | 122.8 | -179.4 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | R235 C253 G257 V258 | R235-T255 PolarHBondContact NH1-OG1 3.5Å; C253-T255 PolarHBondContact O-N 3.08Å; C253-T255 VanDerWaalsContact O-N 3.1Å; C253-T255 PolarHBondContact O-OG1 2.89Å; C253-T255 VanDerWaalsContact O-OG1 3.04Å; T255-G257 PolarHBondContact O-N 3.27Å; T255-V258 WeakPolarHBondContact O-CB 3.28Å; T255-V258 PolarHBondContact O-N 3.03Å; T255-V258 VanDerWaalsContact O-O 3.12Å | ||
| 256 | P | 97.2 | Very high | 94.8 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 134.6 | 173.2 | -28.1 | 35.6 | 0 | 0 | 0 | 112.9 | F299 I342 Y389 | P256-F299 HydrophobicContact CB-CB 3.62Å; P256-F299 HydrophobicContact CB-CD1 3.97Å; P256-F299 HydrophobicContact CB-CG 3.86Å; P256-I342 HydrophobicContact CG-CD1 4.4Å; P256-Y389 HydrophobicContact CG-CD1 3.65Å; P256-Y389 HydrophobicContact CG-CE1 3.26Å; P256-Y389 HydrophobicContact CG-CE2 4.21Å; P256-Y389 HydrophobicContact CG-CG 4.28Å |
| 257 | G | 96.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 6% | 0.062 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -1.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T255 H297 K304 | T255-G257 PolarHBondContact O-N 3.27Å; G257-H297 PolarHBondContact N-ND1 3.29Å; G257-K304 PolarHBondContact O-NZ 2.94Å; G257-K304 VanDerWaalsContact O-NZ 3.09Å |
| 258 | V | 97.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 5% | 0.048 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -118.5 | 116.7 | 166.9 | 178 | 0 | 0 | 0 | 0 | 107.7 | Y69 T255 H297 | Y69-V258 HydrophobicContact CE1-CG1 3.76Å; T255-V258 WeakPolarHBondContact O-CB 3.28Å; T255-V258 PolarHBondContact O-N 3.03Å; T255-V258 VanDerWaalsContact O-O 3.12Å; V258-H297 PolarHBondContact O-CE1 2.88Å |
| 259 | P | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 149.1 | -176.7 | 28.7 | -33.8 | 0 | 0 | 0 | 112.9 | Y69 P231 Q295 H297 F306 L310 | Y69-P259 HydrophobicContact CD1-CG 3.71Å; Y69-P259 HydrophobicContact CG-CG 3.94Å; P231-P259 WeakPolarHBondContact CD-O 3.46Å; P231-P259 WeakPolarHBondContact CG-O 3.4Å; P259-Q295 VanDerWaalsContact CA-OE1 3.25Å; P259-H297 VanDerWaalsContact CA-CE1 3.47Å; P259-H297 WeakPolarHBondContact CA-CE1 3.4Å; P259-H297 VanDerWaalsContact CA-NE2 3.32Å; P259-H297 WeakPolarHBondContact CA-NE2 3.44Å; P259-F306 HydrophobicContact CB-CB 3.74Å; P259-F306 HydrophobicContact CB-CD1 4.08Å; P259-F306 HydrophobicContact CB-CD2 3.67Å; P259-F306 HydrophobicContact CB-CE2 4.19Å; P259-F306 HydrophobicContact CB-CG 3.58Å; P259-F306 HydrophobicContact CG-CB 4.27Å; P259-F306 HydrophobicContact CG-CD1 3.8Å; P259-F306 HydrophobicContact CG-CD2 4.19Å; P259-F306 HydrophobicContact CG-CE1 4.1Å; P259-F306 HydrophobicContact CG-CE2 4.41Å; P259-F306 HydrophobicContact CG-CG 3.84Å; P259-F306 HydrophobicContact CG-CZ 4.35Å; P259-L310 HydrophobicContact CB-CD2 3.77Å; P259-L310 HydrophobicContact CG-CB 3.95Å; P259-L310 HydrophobicContact CG-CD2 3.97Å |
| 260 | I | 96.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -98.6 | 140.7 | 179.5 | -52.9 | 163.9 | 0 | 0 | 0 | 108.6 | I254 Q295 I342 L388 I460 | I254-I260 HydrophobicContact CB-CD1 4.35Å; I254-I260 HydrophobicContact CD1-CD1 4.08Å; I254-I260 HydrophobicContact CG1-CD1 3.99Å; I254-I260 HydrophobicContact CG1-CG1 4.29Å; I254-I260 HydrophobicContact CG2-CD1 3.49Å; I254-I260 VanDerWaalsContact CG2-CD1 3.49Å; I254-I260 HydrophobicContact CG2-CG1 4.05Å; I260-Q295 PolarHBondContact O-NE2 2.9Å; I260-I342 HydrophobicContact CD1-CD1 4Å; I260-I342 HydrophobicContact CD1-CG2 4.18Å; I260-L388 HydrophobicContact CD1-CB 3.99Å; I260-L388 HydrophobicContact CD1-CD1 3.9Å; I260-I460 HydrophobicContact CG2-CD1 4.1Å; I260-I460 HydrophobicContact CG2-CG1 4.21Å; I260-I460 HydrophobicContact CG2-CG2 3.56Å |
| 261 | K | 94.4 | Very high | 89.6 | Confident | 40 Ų | 40 | 20.7 Ų | 20.7 | 17% | 0.174 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -64 | 124.3 | 174.6 | -77.1 | -163.6 | 178.4 | -162.9 | 0 | 110.9 | E183 C228 L310 I460 A461 | E183-K261 IonicContact OE2-NZ 3.27Å; E183-K261 PolarHBondContact OE2-NZ 3.41Å; C228-K261 PolarHBondContact O-N 2.84Å; K261-L310 HydrophobicContact CG-CD1 4.05Å; K261-L310 HydrophobicContact CG-CD2 4.39Å; K261-I460 HydrophobicContact CB-CG2 4.46Å; K261-I460 VanDerWaalsContact O-CG2 3.24Å; K261-I460 WeakPolarHBondContact O-CG2 3.26Å; K261-A461 HydrophobicContact CB-CB 3.55Å; K261-A461 HydrophobicContact CD-CB 4.04Å; K261-A461 HydrophobicContact CG-CB 4.42Å; K261-A461 PolarHBondContact O-N 2.82Å |
| 262 | P | 94.6 | Very high | 88.5 | Confident | 15 Ų | 15 | 23.8 Ų | 23.8 | 10% | 0.097 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 147 | -169.1 | 25.8 | -34.1 | 0 | 0 | 0 | 113.8 | R308 Y458 A461 | P262-R308 HydrophobicContact CG-CG 4.08Å; P262-Y458 WeakPolarHBondContact CA-OH 3.3Å; P262-A461 WeakPolarHBondContact O-CA 3.3Å; P262-A461 PolarHBondContact O-N 2.86Å |
| 263 | M | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 139.4 | 166.6 | -177.8 | -176.7 | -176.8 | 0 | 0 | 110.5 | R293 Y458 D459 W467 | M263-R293 PolarHBondContact O-NH1 2.87Å; M263-R293 PolarHBondContact O-NH2 3.33Å; M263-R293 VanDerWaalsContact O-NH2 3.08Å; M263-Y458 HydrophobicContact CB-CD1 4.08Å; M263-Y458 HydrophobicContact CB-CD2 3.98Å; M263-Y458 HydrophobicContact CB-CE1 3.72Å; M263-Y458 HydrophobicContact CB-CE2 3.63Å; M263-Y458 HydrophobicContact CB-CG 4.22Å; M263-Y458 PolarHBondContact N-OH 2.9Å; M263-Y458 VanDerWaalsContact N-OH 3.08Å; M263-Y458 HydrophobicContact SD-CD2 3.89Å; M263-Y458 HydrophobicContact SD-CE2 4.36Å; M263-Y458 HydrophobicContact SD-CG 4.15Å; M263-D459 WeakPolarHBondContact CA-O 3.46Å; M263-D459 WeakPolarHBondContact CB-O 3.36Å; M263-D459 HydrophobicContact CE-CB 4.13Å; M263-D459 HydrophobicContact CG-CB 4.2Å; M263-D459 WeakPolarHBondContact CG-O 3.48Å; M263-D459 HydrophobicContact SD-CB 4.39Å; M263-D459 PolarHBondContact SD-N 3.27Å; M263-D459 VanDerWaalsContact SD-N 3.38Å; M263-W467 HydrophobicContact CB-CZ3 4.49Å; M263-W467 HydrophobicContact CE-CB 4.33Å; M263-W467 HydrophobicContact CE-CD2 3.99Å; M263-W467 HydrophobicContact CE-CG 3.7Å; M263-W467 HydrophobicContact CG-CD2 4.35Å; M263-W467 HydrophobicContact CG-CE3 4.34Å; M263-W467 HydrophobicContact SD-CD2 3.8Å; M263-W467 VanDerWaalsContact SD-CE2 3.55Å; M263-W467 HydrophobicContact SD-CE3 4.31Å; M263-W467 HydrophobicContact SD-CG 4.19Å; M263-W467 HydrophobicContact SD-CH2 4.34Å; M263-W467 HydrophobicContact SD-CZ2 3.85Å |
| 264 | L | 90.8 | Very high | 86.7 | Confident | 33 Ų | 33 | 24.8 Ų | 24.8 | 17% | 0.173 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 146.1 | -176.7 | -56.2 | 179.4 | 0 | 0 | 0 | 111.8 | K462 R463 S464 | L264-K462 PolarHBondContact N-O 3.11Å; L264-R463 HydrophobicContact CB-CB 4.26Å; L264-R463 HydrophobicContact CB-CG 4.19Å; L264-R463 CarbonylContact O-C 3.5Å; L264-R463 VanDerWaalsContact O-CA 3.29Å; L264-R463 WeakPolarHBondContact O-CA 3.3Å; L264-S464 PolarHBondContact O-N 2.71Å |
| 265 | A | 89.3 | Confident | 85.5 | Confident | 13 Ų | 13 | 25.9 Ų | 25.9 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 144.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | M448 W467 K469 | A265-M448 HydrophobicContact CB-CE 3.5Å; A265-W467 CarbonylContact C-O 3.59Å; A265-W467 WeakPolarHBondContact CA-O 3.29Å; A265-W467 HydrophobicContact CB-CB 3.81Å; A265-W467 VanDerWaalsContact CB-O 3.29Å; A265-W467 WeakPolarHBondContact CB-O 3.28Å; A265-K469 HydrophobicContact CB-CB 4.4Å |
| 266 | F | 84.4 | Confident | 84.7 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 145 | 167.6 | -82.8 | -91.9 | 0 | 0 | 0 | 111.3 | R463 S464 H465 W467 L468 K469 E620 | F266-R463 HydrophobicContact CD1-CG 4.29Å; F266-R463 HydrophobicContact CD2-CB 4.32Å; F266-R463 HydrophobicContact CD2-CG 3.58Å; F266-R463 HydrophobicContact CE1-CG 4.32Å; F266-R463 VanDerWaalsContact CE2-C 3.49Å; F266-R463 HydrophobicContact CE2-CB 3.88Å; F266-R463 HydrophobicContact CE2-CG 3.64Å; F266-R463 WeakPolarHBondContact CE2-O 3.47Å; F266-R463 HydrophobicContact CG-CG 3.92Å; F266-R463 HydrophobicContact CZ-CB 4.14Å; F266-R463 HydrophobicContact CZ-CG 4.01Å; F266-S464 VanDerWaalsContact CD2-C 3.42Å; F266-H465 AromaticContact CD1-CE1 3.75Å; F266-H465 AromaticContact CD1-ND1 3.95Å; F266-H465 HydrophobicContact CD2-CB 4.35Å; F266-H465 AromaticContact CD2-CE1 3.78Å; F266-H465 AromaticContact CD2-CG 3.75Å; F266-H465 AromaticContact CD2-ND1 3.47Å; F266-H465 WeakPolarHBondContact CD2-ND1 3.49Å; F266-H465 AromaticContact CE1-CE1 3.54Å; F266-H465 AromaticContact CE2-CD2 3.76Å; F266-H465 AromaticContact CE2-CE1 3.56Å; F266-H465 AromaticContact CE2-CG 3.79Å; F266-H465 AromaticContact CE2-ND1 3.67Å; F266-H465 AromaticContact CE2-NE2 3.64Å; F266-H465 AromaticContact CG-CE1 3.88Å; F266-H465 AromaticContact CG-ND1 3.62Å; F266-H465 AromaticContact CZ-CE1 3.44Å; F266-H465 VanDerWaalsContact CZ-CE1 3.44Å; F266-H465 WeakPolarHBondContact CZ-CE1 3.21Å; F266-H465 AromaticContact CZ-NE2 3.57Å; F266-W467 PolarHBondContact N-O 3.14Å; F266-L468 HydrophobicContact CB-CD2 3.86Å; F266-L468 CarbonylContact O-C 3.49Å; F266-L468 WeakPolarHBondContact O-CA 3.46Å; F266-K469 WeakPolarHBondContact O-CG 3.44Å; F266-K469 PolarHBondContact O-N 3.47Å; F266-E620 WeakPolarHBondContact CD1-OE2 3.39Å; F266-E620 VanDerWaalsContact CE1-OE1 3.31Å; F266-E620 WeakPolarHBondContact CE1-OE1 3.28Å; F266-E620 WeakPolarHBondContact CE1-OE2 3.36Å |
| 267 | P | 81.9 | Confident | 83.9 | Confident | 22 Ų | 22 | 39.3 Ų | 39.3 | 14% | 0.143 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 147.8 | 161.8 | 30.4 | -32.2 | 0 | 0 | 0 | 110.2 | M621 | P267-M621 HydrophobicContact CG-CE 4.08Å |
| 268 | T | 76.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -127.3 | 147.2 | 163.9 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | G270 E273 V274 L468 K469 L470 Y474 | T268-G270 PolarHBondContact OG1-O 3.34Å; T268-E273 WeakPolarHBondContact CA-OE2 3.49Å; T268-E273 WeakPolarHBondContact OG1-CB 3.37Å; T268-E273 WeakPolarHBondContact OG1-CG 3.39Å; T268-E273 PolarHBondContact OG1-OE2 3.28Å; T268-E273 VanDerWaalsContact OG1-OE2 3.12Å; T268-V274 HydrophobicContact CG2-CG2 3.88Å; T268-L468 HydrophobicContact CG2-CB 3.97Å; T268-L468 HydrophobicContact CG2-CD1 4.39Å; T268-K469 PolarHBondContact N-O 2.62Å; T268-L470 HydrophobicContact CG2-CB 3.9Å; T268-L470 HydrophobicContact CG2-CD1 4.01Å; T268-Y474 WeakPolarHBondContact O-CE2 3.49Å; T268-Y474 PolarHBondContact O-OH 3.41Å | ||
| 269 | K | 66.2 | Low | 82.1 | Confident | 61 Ų | 61 | 40.9 Ų | 40.9 | 27% | 0.265 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -86.8 | -14.3 | -174.3 | -67.7 | -164.5 | 176.1 | -170 | 0 | 114.5 | E273 Y474 M621 S624 | K269-E273 PolarHBondContact N-OE2 2.89Å; K269-Y474 WeakPolarHBondContact O-CB 3.19Å; K269-Y474 WeakPolarHBondContact O-CD1 3.35Å; K269-M621 PolarHBondContact NZ-O 2.99Å; K269-S624 WeakPolarHBondContact CD-O 3.31Å; K269-S624 VanDerWaalsContact NZ-C 3.26Å; K269-S624 PolarHBondContact NZ-O 3.27Å |
| 270 | G | 71 | Confident | 81.2 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 178.8 | 177.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T268 D272 E273 | T268-G270 PolarHBondContact OG1-O 3.34Å; G270-D272 VanDerWaalsContact C-N 3.3Å; G270-D272 PolarHBondContact O-N 3.32Å; G270-E273 PolarHBondContact O-N 2.86Å |
| 271 | V | 72.3 | Confident | 80.6 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 178.1 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | E273 V274 L275 I432 L470 | V271-E273 VanDerWaalsContact C-N 3.3Å; V271-E273 PolarHBondContact O-N 3.41Å; V271-V274 WeakPolarHBondContact O-CA 3.26Å; V271-V274 VanDerWaalsContact O-CB 3.3Å; V271-V274 WeakPolarHBondContact O-CB 3.36Å; V271-V274 PolarHBondContact O-N 3.4Å; V271-L275 HydrophobicContact CG1-CD1 3.89Å; V271-L275 HydrophobicContact CG1-CG 4.21Å; V271-L275 WeakPolarHBondContact O-CG 3.42Å; V271-L275 PolarHBondContact O-N 3.47Å; V271-I432 HydrophobicContact CG1-CB 4.09Å; V271-I432 HydrophobicContact CG1-CD1 3.69Å; V271-I432 HydrophobicContact CG1-CG2 4.15Å; V271-I432 HydrophobicContact CG2-CG2 3.98Å; V271-L470 HydrophobicContact CG2-CD2 4.17Å |
| 272 | D | 72.6 | Confident | 80.5 | Confident | 131 Ų | 131 | 55.4 Ų | 55.4 | 70% | 0.701 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58.8 | -35.8 | 179.6 | -50.6 | -48.9 | 0 | 0 | 0 | 114.1 | G270 L275 K276 | G270-D272 VanDerWaalsContact C-N 3.3Å; G270-D272 PolarHBondContact O-N 3.32Å; D272-L275 PolarHBondContact O-N 2.98Å; D272-K276 VanDerWaalsContact O-CB 3.25Å; D272-K276 WeakPolarHBondContact O-CB 3.25Å; D272-K276 PolarHBondContact O-N 3.44Å |
| 273 | E | 75.2 | Confident | 80.3 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -74.6 | -33 | 177.8 | 176.8 | 173.3 | -148.3 | 0 | 0 | 111.6 | T268 K269 G270 V271 R277 | T268-E273 WeakPolarHBondContact CA-OE2 3.49Å; T268-E273 WeakPolarHBondContact OG1-CB 3.37Å; T268-E273 WeakPolarHBondContact OG1-CG 3.39Å; T268-E273 PolarHBondContact OG1-OE2 3.28Å; T268-E273 VanDerWaalsContact OG1-OE2 3.12Å; K269-E273 PolarHBondContact N-OE2 2.89Å; G270-E273 PolarHBondContact O-N 2.86Å; V271-E273 VanDerWaalsContact C-N 3.3Å; V271-E273 PolarHBondContact O-N 3.41Å; E273-R277 VanDerWaalsContact O-CB 3.23Å; E273-R277 WeakPolarHBondContact O-CB 3.11Å; E273-R277 PolarHBondContact O-N 2.8Å; E273-R277 VanDerWaalsContact O-N 3.08Å |
| 274 | V | 77.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -53.2 | 168.5 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | T268 V271 K276 R277 F278 F283 V449 L468 | T268-V274 HydrophobicContact CG2-CG2 3.88Å; V271-V274 WeakPolarHBondContact O-CA 3.26Å; V271-V274 VanDerWaalsContact O-CB 3.3Å; V271-V274 WeakPolarHBondContact O-CB 3.36Å; V271-V274 PolarHBondContact O-N 3.4Å; V274-K276 PolarHBondContact O-N 3.44Å; V274-R277 PolarHBondContact O-N 2.87Å; V274-R277 VanDerWaalsContact O-N 3.07Å; V274-F278 HydrophobicContact CG1-CD2 3.97Å; V274-F278 HydrophobicContact CG1-CE2 4.28Å; V274-F278 HydrophobicContact CG1-CG 4.47Å; V274-F278 WeakPolarHBondContact O-CB 3.49Å; V274-F278 WeakPolarHBondContact O-CD2 3.39Å; V274-F278 PolarHBondContact O-N 3.15Å; V274-F283 HydrophobicContact CG1-CZ 4.49Å; V274-V449 HydrophobicContact CG1-CB 4.31Å; V274-V449 HydrophobicContact CG1-CG1 3.75Å; V274-V449 HydrophobicContact CG1-CG2 4.25Å; V274-V449 HydrophobicContact CG2-CG2 4.17Å; V274-L468 HydrophobicContact CG2-CD1 4.15Å |
| 275 | L | 73.3 | Confident | 80.5 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 18% | 0.183 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | -178.8 | -62.9 | 164.5 | 0 | 0 | 0 | 112.2 | V271 D272 R277 F278 G279 C429 I432 | V271-L275 HydrophobicContact CG1-CD1 3.89Å; V271-L275 HydrophobicContact CG1-CG 4.21Å; V271-L275 WeakPolarHBondContact O-CG 3.42Å; V271-L275 PolarHBondContact O-N 3.47Å; D272-L275 PolarHBondContact O-N 2.98Å; L275-R277 PolarHBondContact O-N 2.81Å; L275-F278 PolarHBondContact O-N 2.98Å; L275-G279 VanDerWaalsContact O-CA 3.28Å; L275-G279 WeakPolarHBondContact O-CA 3.42Å; L275-G279 PolarHBondContact O-N 3.28Å; L275-C429 HydrophobicContact CD1-CB 3.76Å; L275-C429 WeakPolarHBondContact CD1-SG 3.38Å; L275-C429 HydrophobicContact CD2-CB 4.35Å; L275-C429 VanDerWaalsContact CD2-SG 3.55Å; L275-I432 HydrophobicContact CD2-CD1 4.48Å |
| 276 | K | 79.9 | Confident | 80.9 | Confident | 193 Ų | 193 | 52.7 Ų | 52.7 | 84% | 0.839 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.3 | -31.6 | 175.3 | -174.9 | 175 | -177.9 | 176.7 | 0 | 112.8 | D272 V274 | D272-K276 VanDerWaalsContact O-CB 3.25Å; D272-K276 WeakPolarHBondContact O-CB 3.25Å; D272-K276 PolarHBondContact O-N 3.44Å; V274-K276 PolarHBondContact O-N 3.44Å |
| 277 | R | 80.4 | Confident | 81.4 | Confident | 142 Ų | 142 | 53.7 Ų | 53.7 | 54% | 0.536 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -84.6 | -36.1 | -178.6 | 179.5 | 60.7 | -179.4 | -159.4 | 5.6 | 113 | E273 V274 L275 H465 | E273-R277 VanDerWaalsContact O-CB 3.23Å; E273-R277 WeakPolarHBondContact O-CB 3.11Å; E273-R277 PolarHBondContact O-N 2.8Å; E273-R277 VanDerWaalsContact O-N 3.08Å; V274-R277 PolarHBondContact O-N 2.87Å; V274-R277 VanDerWaalsContact O-N 3.07Å; L275-R277 PolarHBondContact O-N 2.81Å; R277-H465 VanDerWaalsContact NH2-CB 3.34Å |
| 278 | F | 81.1 | Confident | 81.9 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -95.2 | -25.4 | -175.5 | -74.5 | -110.8 | 0 | 0 | 0 | 112.1 | V274 L275 M281 F283 V449 T451 L468 | V274-F278 HydrophobicContact CG1-CD2 3.97Å; V274-F278 HydrophobicContact CG1-CE2 4.28Å; V274-F278 HydrophobicContact CG1-CG 4.47Å; V274-F278 WeakPolarHBondContact O-CB 3.49Å; V274-F278 WeakPolarHBondContact O-CD2 3.39Å; V274-F278 PolarHBondContact O-N 3.15Å; L275-F278 PolarHBondContact O-N 2.98Å; F278-M281 HydrophobicContact CB-CG 4.05Å; F278-M281 HydrophobicContact CD1-CG 4.06Å; F278-M281 HydrophobicContact CD1-SD 4.12Å; F278-M281 WeakPolarHBondContact O-CB 3.14Å; F278-M281 WeakPolarHBondContact O-CE 3.26Å; F278-M281 WeakPolarHBondContact O-CG 3.4Å; F278-M281 PolarHBondContact O-N 3.35Å; F278-F283 HydrophobicContact CB-CD1 3.71Å; F278-F283 HydrophobicContact CB-CE1 4.01Å; F278-F283 HydrophobicContact CD1-CB 3.51Å; F278-F283 AromaticContact CD1-CD1 3.48Å; F278-F283 HydrophobicContact CD1-CD1 3.48Å; F278-F283 VanDerWaalsContact CD1-CD1 3.48Å; F278-F283 HydrophobicContact CD1-CE1 4.49Å; F278-F283 AromaticContact CD1-CG 3.73Å; F278-F283 HydrophobicContact CD1-CG 3.73Å; F278-F283 HydrophobicContact CE1-CB 3.53Å; F278-F283 HydrophobicContact CE1-CD1 4.27Å; F278-F283 HydrophobicContact CE1-CG 4.06Å; F278-F283 AromaticContact CG-CD1 3.82Å; F278-F283 HydrophobicContact CG-CD1 3.82Å; F278-F283 HydrophobicContact CG-CE1 4.45Å; F278-F283 HydrophobicContact CG-CG 4.38Å; F278-V449 HydrophobicContact CE1-CG1 4.12Å; F278-V449 HydrophobicContact CE2-CG1 4.35Å; F278-V449 HydrophobicContact CZ-CG1 3.9Å; F278-T451 HydrophobicContact CD1-CG2 3.96Å; F278-T451 HydrophobicContact CE1-CG2 3.37Å; F278-T451 HydrophobicContact CZ-CG2 3.8Å; F278-L468 HydrophobicContact CD2-CD1 4.42Å; F278-L468 HydrophobicContact CE2-CD1 3.67Å; F278-L468 HydrophobicContact CE2-CG 4.03Å |
| 279 | G | 75.1 | Confident | 82.7 | Confident | 41 Ų | 41 | 55 Ų | 55 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -139.2 | -174 | 0 | 0 | 0 | 0 | 0 | 110.8 | L275 M281 | L275-G279 VanDerWaalsContact O-CA 3.28Å; L275-G279 WeakPolarHBondContact O-CA 3.42Å; L275-G279 PolarHBondContact O-N 3.28Å; G279-M281 PolarHBondContact O-N 3.06Å |
| 280 | E | 77.7 | Confident | 83.5 | Confident | 197 Ų | 197 | 54.2 Ų | 54.2 | 92% | 0.921 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 8.5 | 177.5 | -58.2 | 175.6 | 173.7 | 0 | 0 | 113.6 | ||
| 281 | M | 85.1 | Confident | 84.5 | Confident | 64 Ų | 64 | 54 Ų | 54 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | trans | -77.6 | 140.6 | -178.6 | 90.2 | 179.6 | 64.9 | 0 | 0 | 111.7 | F278 G279 F283 T451 | F278-M281 HydrophobicContact CB-CG 4.05Å; F278-M281 HydrophobicContact CD1-CG 4.06Å; F278-M281 HydrophobicContact CD1-SD 4.12Å; F278-M281 WeakPolarHBondContact O-CB 3.14Å; F278-M281 WeakPolarHBondContact O-CE 3.26Å; F278-M281 WeakPolarHBondContact O-CG 3.4Å; F278-M281 PolarHBondContact O-N 3.35Å; G279-M281 PolarHBondContact O-N 3.06Å; M281-F283 WeakPolarHBondContact O-CD1 3.29Å; M281-T451 HydrophobicContact SD-CG2 4.24Å | ||
| 282 | E | 90.8 | Very high | 85.5 | Confident | 84 Ų | 84 | 54.3 Ų | 54.3 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | trans | -66.5 | 134 | 172 | -166.3 | -169.7 | -116.8 | 0 | 0 | 111.2 | R401 T425 L452 | E282-R401 IonicContact OE2-CZ 3.67Å; E282-R401 IonicContact OE2-NH1 3.08Å; E282-R401 PolarHBondContact OE2-NH1 3.26Å; E282-R401 IonicContact OE2-NH2 2.77Å; E282-R401 PolarHBondContact OE2-NH2 3.16Å; E282-T425 HydrophobicContact CG-CG2 3.56Å; E282-T425 WeakPolarHBondContact OE1-CG2 3.43Å; E282-T425 WeakPolarHBondContact OE2-CG2 3.32Å; E282-L452 HydrophobicContact CG-CD1 4.12Å | ||
| 283 | F | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 161.8 | 176.4 | 47.4 | -96.8 | 0 | 0 | 0 | 112.4 | V274 F278 M281 T425 T426 I432 V449 K450 | V274-F283 HydrophobicContact CG1-CZ 4.49Å; F278-F283 HydrophobicContact CB-CD1 3.71Å; F278-F283 HydrophobicContact CB-CE1 4.01Å; F278-F283 HydrophobicContact CD1-CB 3.51Å; F278-F283 AromaticContact CD1-CD1 3.48Å; F278-F283 HydrophobicContact CD1-CD1 3.48Å; F278-F283 VanDerWaalsContact CD1-CD1 3.48Å; F278-F283 HydrophobicContact CD1-CE1 4.49Å; F278-F283 AromaticContact CD1-CG 3.73Å; F278-F283 HydrophobicContact CD1-CG 3.73Å; F278-F283 HydrophobicContact CE1-CB 3.53Å; F278-F283 HydrophobicContact CE1-CD1 4.27Å; F278-F283 HydrophobicContact CE1-CG 4.06Å; F278-F283 AromaticContact CG-CD1 3.82Å; F278-F283 HydrophobicContact CG-CD1 3.82Å; F278-F283 HydrophobicContact CG-CE1 4.45Å; F278-F283 HydrophobicContact CG-CG 4.38Å; M281-F283 WeakPolarHBondContact O-CD1 3.29Å; F283-T425 WeakPolarHBondContact O-CA 3.37Å; F283-T426 HydrophobicContact CD2-CG2 4.38Å; F283-T426 HydrophobicContact CE2-CG2 3.73Å; F283-T426 HydrophobicContact CZ-CG2 4.29Å; F283-T426 PolarHBondContact N-O 3.5Å; F283-T426 PolarHBondContact O-N 3.07Å; F283-I432 HydrophobicContact CE2-CD1 3.72Å; F283-I432 HydrophobicContact CE2-CG1 4.09Å; F283-I432 HydrophobicContact CZ-CD1 3.74Å; F283-I432 HydrophobicContact CZ-CG1 4.48Å; F283-V449 HydrophobicContact CB-CG1 4.17Å; F283-V449 HydrophobicContact CD2-CG1 3.54Å; F283-V449 HydrophobicContact CE2-CG1 4.22Å; F283-V449 HydrophobicContact CG-CG1 3.93Å; F283-K450 WeakPolarHBondContact CB-O 3.35Å |
| 284 | A | 94.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | E286 F400 L424 V449 K450 L452 | A284-E286 HydrophobicContact CB-CG 4.39Å; A284-F400 HydrophobicContact CB-CD1 4.42Å; A284-F400 HydrophobicContact CB-CE1 3.88Å; A284-L424 CarbonylContact C-O 3.54Å; A284-L424 WeakPolarHBondContact CA-O 3.48Å; A284-V449 CarbonylContact O-C 3.58Å; A284-V449 WeakPolarHBondContact O-CA 3.48Å; A284-K450 HydrophobicContact CB-CB 4.46Å; A284-K450 PolarHBondContact N-O 3.26Å; A284-K450 PolarHBondContact O-N 3.01Å; A284-L452 HydrophobicContact CB-CD1 4.34Å; A284-L452 HydrophobicContact CB-CD2 4.11Å; A284-L452 HydrophobicContact CB-CG 4.18Å |
| 285 | C | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.5 | 161.2 | -73.2 | 0 | 0 | 0 | 0 | 108.3 | S423 L424 F435 L447 M448 | C285-S423 CarbonylContact O-C 3.49Å; C285-S423 VanDerWaalsContact O-CA 3.25Å; C285-S423 WeakPolarHBondContact O-CA 3.4Å; C285-L424 HydrophobicContact CB-CB 4.34Å; C285-L424 PolarHBondContact N-O 2.97Å; C285-L424 PolarHBondContact O-N 2.9Å; C285-L424 VanDerWaalsContact O-O 3.12Å; C285-F435 HydrophobicContact CB-CD1 3.85Å; C285-F435 HydrophobicContact CB-CE1 4.04Å; C285-F435 WeakPolarHBondContact O-CE1 3.41Å; C285-L447 HydrophobicContact CB-CD1 4.36Å; C285-M448 CarbonylContact C-O 3.5Å; C285-M448 WeakPolarHBondContact CA-O 3.33Å |
| 286 | E | 96.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.6 | 179.1 | -52.1 | -170.2 | 144.2 | 0 | 0 | 109.6 | A284 K288 F400 K422 L447 M448 K450 | A284-E286 HydrophobicContact CB-CG 4.39Å; E286-K288 PolarHBondContact O-N 2.97Å; E286-F400 WeakPolarHBondContact OE1-CZ 3.37Å; E286-K422 WeakPolarHBondContact CA-O 3.3Å; E286-L447 CarbonylContact O-C 3.58Å; E286-L447 VanDerWaalsContact O-CA 3.3Å; E286-L447 WeakPolarHBondContact O-CA 3.24Å; E286-M448 HydrophobicContact CB-CB 4.46Å; E286-M448 PolarHBondContact N-O 3.08Å; E286-M448 PolarHBondContact O-N 2.78Å; E286-K450 WeakPolarHBondContact OE2-CD 3.23Å; E286-K450 WeakPolarHBondContact OE2-CE 3.43Å; E286-K450 IonicContact OE2-NZ 3.92Å; E286-K450 PolarHBondContact OE2-NZ 3.36Å |
| 287 | W | 94.9 | Very high | 90.7 | Very high | 31 Ų | 31 | 36.6 Ų | 36.6 | 12% | 0.117 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 132.1 | 176.6 | -78.3 | 16.6 | 0 | 0 | 0 | 111.1 | Y289 K422 F435 E438 A439 C444 | W287-Y289 HydrophobicContact CB-CD2 4.31Å; W287-Y289 HydrophobicContact CB-CE2 3.56Å; W287-Y289 HydrophobicContact CE3-CE1 4.4Å; W287-Y289 WeakPolarHBondContact O-CD2 3.39Å; W287-Y289 WeakPolarHBondContact O-CE2 3.35Å; W287-Y289 PolarHBondContact O-N 3.07Å; W287-K422 HydrophobicContact CD2-CB 3.92Å; W287-K422 HydrophobicContact CD2-CD 4.16Å; W287-K422 HydrophobicContact CD2-CG 4.19Å; W287-K422 HydrophobicContact CE3-CB 4.3Å; W287-K422 HydrophobicContact CE3-CD 4.48Å; W287-K422 HydrophobicContact CG-CB 4.01Å; W287-K422 HydrophobicContact CG-CG 4.41Å; W287-K422 HydrophobicContact CH2-CD 4.02Å; W287-K422 HydrophobicContact CZ2-CD 3.62Å; W287-K422 HydrophobicContact CZ2-CG 4.39Å; W287-K422 HydrophobicContact CZ3-CD 4.42Å; W287-K422 PolarHBondContact N-O 3.41Å; W287-F435 AromaticContact CD1-CE1 3.54Å; W287-F435 AromaticContact CD1-CE2 3.92Å; W287-F435 AromaticContact CD1-CZ 3.33Å; W287-F435 AromaticContact NE1-CE1 3.89Å; W287-F435 AromaticContact NE1-CE2 3.45Å; W287-F435 AromaticContact NE1-CZ 3.39Å; W287-E438 HydrophobicContact CZ2-CB 4.24Å; W287-E438 HydrophobicContact CZ2-CG 3.92Å; W287-A439 HydrophobicContact CD2-CB 4.08Å; W287-A439 HydrophobicContact CG-CB 3.92Å; W287-C444 VanDerWaalsContact CE3-SG 3.54Å |
| 288 | K | 93.7 | Very high | 91.6 | Very high | 39 Ų | 39 | 30.9 Ų | 30.9 | 17% | 0.17 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 93.1 | 173 | -168 | -163.2 | 172 | -62.7 | 0 | 110.3 | E286 C444 E445 G446 M448 K469 | E286-K288 PolarHBondContact O-N 2.97Å; K288-C444 WeakPolarHBondContact O-CB 3.35Å; K288-E445 HydrophobicContact CD-CB 4.09Å; K288-E445 WeakPolarHBondContact CE-OE2 3.45Å; K288-E445 IonicContact NZ-OE2 3.1Å; K288-E445 PolarHBondContact NZ-OE2 2.84Å; K288-E445 PolarHBondContact O-N 2.86Å; K288-G446 WeakPolarHBondContact CB-O 3.43Å; K288-G446 PolarHBondContact N-O 3.25Å; K288-M448 HydrophobicContact CB-CG 3.93Å; K288-M448 HydrophobicContact CB-SD 4.21Å; K288-M448 HydrophobicContact CD-SD 3.97Å; K288-M448 HydrophobicContact CG-CG 3.95Å; K288-M448 HydrophobicContact CG-SD 3.7Å; K288-K469 HydrophobicContact CD-CB 4.48Å |
| 289 | Y | 92 | Very high | 92.4 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | trans | -60.9 | 154.6 | 175.1 | -59 | -92.1 | 0 | 0 | 0 | 112.6 | W287 V348 I357 F383 T421 K422 | W287-Y289 HydrophobicContact CB-CD2 4.31Å; W287-Y289 HydrophobicContact CB-CE2 3.56Å; W287-Y289 HydrophobicContact CE3-CE1 4.4Å; W287-Y289 WeakPolarHBondContact O-CD2 3.39Å; W287-Y289 WeakPolarHBondContact O-CE2 3.35Å; W287-Y289 PolarHBondContact O-N 3.07Å; Y289-V348 HydrophobicContact CD1-CG1 4.27Å; Y289-V348 HydrophobicContact CG-CG1 4.47Å; Y289-I357 HydrophobicContact CD1-CD1 3.71Å; Y289-I357 HydrophobicContact CE1-CD1 3.81Å; Y289-F383 HydrophobicContact CD1-CB 4.45Å; Y289-F383 HydrophobicContact CD1-CD1 4.39Å; Y289-F383 AromaticContact CD1-CD2 3.59Å; Y289-F383 HydrophobicContact CD1-CD2 3.59Å; Y289-F383 AromaticContact CD1-CE2 3.88Å; Y289-F383 HydrophobicContact CD1-CE2 3.88Å; Y289-F383 AromaticContact CD1-CG 3.88Å; Y289-F383 HydrophobicContact CD1-CG 3.88Å; Y289-F383 HydrophobicContact CD1-CZ 4.4Å; Y289-F383 HydrophobicContact CD2-CB 4.22Å; Y289-F383 HydrophobicContact CD2-CG 4.4Å; Y289-F383 HydrophobicContact CE1-CB 4.31Å; Y289-F383 AromaticContact CE1-CD1 3.55Å; Y289-F383 HydrophobicContact CE1-CD1 3.55Å; Y289-F383 AromaticContact CE1-CD2 3.5Å; Y289-F383 HydrophobicContact CE1-CD2 3.5Å; Y289-F383 AromaticContact CE1-CE1 3.63Å; Y289-F383 HydrophobicContact CE1-CE1 3.63Å; Y289-F383 AromaticContact CE1-CE2 3.58Å; Y289-F383 HydrophobicContact CE1-CE2 3.58Å; Y289-F383 AromaticContact CE1-CG 3.49Å; Y289-F383 HydrophobicContact CE1-CG 3.49Å; Y289-F383 VanDerWaalsContact CE1-CG 3.49Å; Y289-F383 AromaticContact CE1-CZ 3.65Å; Y289-F383 HydrophobicContact CE1-CZ 3.65Å; Y289-F383 HydrophobicContact CE2-CB 4.13Å; Y289-F383 HydrophobicContact CE2-CD1 4.21Å; Y289-F383 HydrophobicContact CE2-CG 4.12Å; Y289-F383 HydrophobicContact CG-CB 4.43Å; Y289-F383 HydrophobicContact CG-CD2 4.27Å; Y289-F383 HydrophobicContact CG-CG 4.33Å; Y289-F383 AromaticContact CZ-CD1 3.45Å; Y289-F383 VanDerWaalsContact CZ-CD1 3.45Å; Y289-F383 AromaticContact CZ-CE1 3.82Å; Y289-F383 AromaticContact CZ-CG 3.64Å; Y289-F383 WeakPolarHBondContact OH-CD1 3.14Å; Y289-T421 HydrophobicContact CD2-CG2 4Å; Y289-T421 HydrophobicContact CE2-CG2 3.5Å; Y289-T421 VanDerWaalsContact CE2-CG2 3.5Å; Y289-K422 PolarHBondContact OH-N 3.2Å; Y289-K422 VanDerWaalsContact OH-N 3.07Å | ||
| 290 | D | 84.9 | Confident | 93.3 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -108.2 | 85.4 | 173.1 | -169.8 | 22.7 | 0 | 0 | 0 | 108.5 | F360 E445 | D290-F360 WeakPolarHBondContact OD2-CB 3.25Å; D290-E445 HydrophobicContact CB-CG 3.86Å |
| 291 | G | 90.6 | Very high | 94 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -144 | -157.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E346 V347 F360 | G291-E346 WeakPolarHBondContact CA-OE1 3.23Å; G291-E346 PolarHBondContact N-OE1 2.91Å; G291-V347 CarbonylContact C-O 3.42Å; G291-V347 VanDerWaalsContact CA-O 3.24Å; G291-V347 WeakPolarHBondContact CA-O 3.34Å; G291-F360 VanDerWaalsContact O-CE2 3.27Å; G291-F360 WeakPolarHBondContact O-CE2 3.45Å |
| 292 | E | 93 | Very high | 94.6 | Very high | 39 Ų | 39 | 31 Ų | 31 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.3 | 166.8 | -69.9 | -177.7 | -155.8 | 0 | 0 | 109.9 | A294 H313 K316 Y317 E346 V347 F360 L363 | E292-A294 PolarHBondContact O-N 2.95Å; E292-H313 IonicContact OE2-ND1 3.22Å; E292-K316 IonicContact OE1-NZ 2.66Å; E292-K316 PolarHBondContact OE1-NZ 2.95Å; E292-K316 IonicContact OE2-NZ 3.71Å; E292-K316 PolarHBondContact OE2-NZ 3.41Å; E292-Y317 PolarHBondContact OE2-OH 3.33Å; E292-E346 PolarHBondContact N-OE1 2.9Å; E292-V347 PolarHBondContact N-O 2.89Å; E292-V347 PolarHBondContact O-N 3.3Å; E292-F360 HydrophobicContact CG-CE2 3.97Å; E292-L363 HydrophobicContact CB-CD2 4.1Å; E292-L363 HydrophobicContact CG-CD2 3.78Å; E292-L363 HydrophobicContact CG-CG 4.46Å |
| 293 | R | 95.4 | Very high | 94.9 | Very high | 41 Ų | 41 | 27.5 Ų | 27.5 | 16% | 0.155 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 126.3 | 173.8 | -168.3 | 171.9 | -177.3 | 169 | -2.1 | 111.1 | M263 R308 D344 S345 E346 F385 Y458 | M263-R293 PolarHBondContact O-NH1 2.87Å; M263-R293 PolarHBondContact O-NH2 3.33Å; M263-R293 VanDerWaalsContact O-NH2 3.08Å; R293-R308 HydrophobicContact CB-CB 4.48Å; R293-R308 PolarHBondContact O-N 3.44Å; R293-D344 IonicContact CZ-OD1 2.81Å; R293-D344 IonicContact CZ-OD2 2.7Å; R293-D344 IonicContact NE-OD1 3.79Å; R293-D344 PolarHBondContact NE-OD1 3.29Å; R293-D344 IonicContact NE-OD2 3.99Å; R293-D344 IonicContact NH2-OD1 2.66Å; R293-D344 IonicContact NH2-OD2 2.73Å; R293-D344 PolarHBondContact NH2-OD2 3.03Å; R293-S345 WeakPolarHBondContact CA-O 3.23Å; R293-E346 VanDerWaalsContact CA-OE2 3.22Å; R293-E346 WeakPolarHBondContact CA-OE2 3.25Å; R293-E346 WeakPolarHBondContact CB-OE2 3.36Å; R293-E346 PolarHBondContact N-OE1 3.48Å; R293-E346 PolarHBondContact N-OE2 3.49Å; R293-F385 HydrophobicContact CG-CZ 4.42Å; R293-Y458 PolarHBondContact NH2-OH 3.49Å |
| 294 | A | 97.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E292 I296 V305 F306 S345 V347 | E292-A294 PolarHBondContact O-N 2.95Å; A294-I296 HydrophobicContact CB-CG1 4.36Å; A294-V305 HydrophobicContact CB-CG1 3.83Å; A294-F306 WeakPolarHBondContact CA-O 3.41Å; A294-S345 PolarHBondContact N-O 3.26Å; A294-S345 PolarHBondContact O-N 2.96Å; A294-S345 VanDerWaalsContact O-N 3.08Å; A294-S345 VanDerWaalsContact O-O 3.14Å; A294-S345 PolarHBondContact O-OG 3.5Å; A294-V347 HydrophobicContact CB-CG2 3.48Å; A294-V347 VanDerWaalsContact CB-CG2 3.48Å |
| 295 | Q | 98.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 112.7 | 168.3 | -165.3 | -177.6 | 93.5 | 0 | 0 | 108.3 | P259 I260 H297 F306 I342 I343 | P259-Q295 VanDerWaalsContact CA-OE1 3.25Å; I260-Q295 PolarHBondContact O-NE2 2.9Å; Q295-H297 WeakPolarHBondContact CG-NE2 3.26Å; Q295-H297 PolarHBondContact OE1-NE2 3.17Å; Q295-F306 PolarHBondContact N-O 3.31Å; Q295-F306 PolarHBondContact O-N 2.91Å; Q295-I342 HydrophobicContact CG-CG2 3.78Å; Q295-I343 CarbonylContact C-O 3.57Å; Q295-I343 WeakPolarHBondContact CA-O 3.48Å |
| 296 | I | 98.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.8 | -171.6 | -56.6 | 175.1 | 0 | 0 | 0 | 108.8 | A294 V303 K304 V305 I320 I324 I342 I343 S345 V382 F418 | A294-I296 HydrophobicContact CB-CG1 4.36Å; I296-V303 HydrophobicContact CG2-CG1 4.14Å; I296-K304 WeakPolarHBondContact CA-O 3.31Å; I296-V305 HydrophobicContact CG1-CG1 4.44Å; I296-V305 HydrophobicContact CG1-CG2 4.48Å; I296-I320 HydrophobicContact CD1-CG2 3.86Å; I296-I320 HydrophobicContact CG1-CG2 4.49Å; I296-I324 HydrophobicContact CD1-CD1 4.19Å; I296-I324 HydrophobicContact CG2-CD1 3.72Å; I296-I324 HydrophobicContact CG2-CG1 3.78Å; I296-I342 CarbonylContact O-C 3.56Å; I296-I342 WeakPolarHBondContact O-CA 3.48Å; I296-I343 HydrophobicContact CB-CB 4.46Å; I296-I343 PolarHBondContact N-O 3.31Å; I296-I343 PolarHBondContact O-N 3.23Å; I296-S345 WeakPolarHBondContact CD1-OG 3.26Å; I296-V382 HydrophobicContact CD1-CG1 3.77Å; I296-V382 HydrophobicContact CD1-CG2 4.42Å; I296-F418 HydrophobicContact CD1-CE2 4.35Å |
| 297 | H | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.4 | 179.5 | -68.9 | -126.3 | 0 | 0 | 0 | 109 | G257 V258 P259 Q295 F299 V303 K304 F306 I342 | G257-H297 PolarHBondContact N-ND1 3.29Å; V258-H297 PolarHBondContact O-CE1 2.88Å; P259-H297 VanDerWaalsContact CA-CE1 3.47Å; P259-H297 WeakPolarHBondContact CA-CE1 3.4Å; P259-H297 VanDerWaalsContact CA-NE2 3.32Å; P259-H297 WeakPolarHBondContact CA-NE2 3.44Å; Q295-H297 WeakPolarHBondContact CG-NE2 3.26Å; Q295-H297 PolarHBondContact OE1-NE2 3.17Å; H297-F299 HydrophobicContact CB-CD1 4.19Å; H297-F299 HydrophobicContact CB-CE1 4.23Å; H297-V303 CarbonylContact O-C 3.6Å; H297-V303 VanDerWaalsContact O-CA 3.3Å; H297-V303 WeakPolarHBondContact O-CA 3.43Å; H297-K304 HydrophobicContact CB-CB 4.4Å; H297-K304 PolarHBondContact N-O 3.28Å; H297-K304 PolarHBondContact O-N 2.94Å; H297-F306 HydrophobicContact CB-CE2 4.32Å; H297-F306 AromaticContact CD2-CD2 3.43Å; H297-F306 VanDerWaalsContact CD2-CD2 3.43Å; H297-F306 WeakPolarHBondContact CD2-CD2 3.42Å; H297-F306 AromaticContact CD2-CE2 3.53Å; H297-F306 AromaticContact CG-CE2 3.75Å; H297-F306 AromaticContact NE2-CD2 3.77Å; H297-I342 WeakPolarHBondContact CE1-CD1 3.46Å |
| 298 | F | 98.5 | Very high | 95.4 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 10% | 0.101 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.7 | 166.6 | 177.1 | -102.3 | 0 | 0 | 0 | 108.9 | T302 V303 I324 P325 L328 V338 S340 C341 | F298-T302 WeakPolarHBondContact CA-O 3.46Å; F298-V303 HydrophobicContact CD2-CG2 3.99Å; F298-I324 HydrophobicContact CB-CG2 4.08Å; F298-I324 HydrophobicContact CD2-CG2 4.14Å; F298-I324 HydrophobicContact CG-CG2 4.36Å; F298-P325 HydrophobicContact CE2-CG 4.29Å; F298-L328 HydrophobicContact CB-CD1 4.08Å; F298-L328 HydrophobicContact CD1-CD1 3.5Å; F298-L328 HydrophobicContact CD2-CD1 3.97Å; F298-L328 HydrophobicContact CE1-CD1 3.84Å; F298-L328 HydrophobicContact CE2-CD1 4.26Å; F298-L328 HydrophobicContact CG-CD1 3.57Å; F298-L328 HydrophobicContact CZ-CD1 4.19Å; F298-V338 WeakPolarHBondContact CE1-O 3.43Å; F298-S340 CarbonylContact O-C 3.57Å; F298-S340 WeakPolarHBondContact O-CA 3.29Å; F298-S340 WeakPolarHBondContact O-CB 3.3Å; F298-C341 PolarHBondContact N-O 3.05Å; F298-C341 PolarHBondContact O-N 3.11Å |
| 299 | F | 97.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 32.9 Ų | 32.9 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 137.3 | 177.4 | 58.9 | -76.8 | 0 | 0 | 0 | 110.4 | P256 H297 G301 T302 K304 | P256-F299 HydrophobicContact CB-CB 3.62Å; P256-F299 HydrophobicContact CB-CD1 3.97Å; P256-F299 HydrophobicContact CB-CG 3.86Å; H297-F299 HydrophobicContact CB-CD1 4.19Å; H297-F299 HydrophobicContact CB-CE1 4.23Å; F299-G301 PolarHBondContact O-N 2.94Å; F299-G301 VanDerWaalsContact O-N 3.12Å; F299-T302 HydrophobicContact CE1-CG2 4.32Å; F299-T302 HydrophobicContact CE2-CG2 4.44Å; F299-T302 HydrophobicContact CZ-CG2 3.94Å; F299-T302 PolarHBondContact N-O 3.32Å; F299-T302 WeakPolarHBondContact O-CA 3.49Å; F299-T302 VanDerWaalsContact O-CB 3.32Å; F299-T302 WeakPolarHBondContact O-CB 3.36Å; F299-T302 PolarHBondContact O-N 3.3Å; F299-K304 HydrophobicContact CE1-CD 4.29Å; F299-K304 HydrophobicContact CE1-CG 4.18Å; F299-K304 HydrophobicContact CZ-CD 4.22Å; F299-K304 HydrophobicContact CZ-CG 4.36Å |
| 300 | N | 93.5 | Very high | 95.4 | Very high | 148 Ų | 148 | 33 Ų | 33 | 79% | 0.791 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39 | 176.7 | -57.6 | -19.2 | 0 | 0 | 0 | 113.3 | T302 | N300-T302 PolarHBondContact O-N 3.2Å; N300-T302 VanDerWaalsContact O-N 3.15Å |
| 301 | G | 93.1 | Very high | 95.8 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 63% | 0.629 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 0.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | F299 | F299-G301 PolarHBondContact O-N 2.94Å; F299-G301 VanDerWaalsContact O-N 3.12Å |
| 302 | T | 97.6 | Very high | 96 | Very high | 66 Ų | 66 | 36.9 Ų | 36.9 | 41% | 0.405 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.9 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | F298 F299 N300 K304 | F298-T302 WeakPolarHBondContact CA-O 3.46Å; F299-T302 HydrophobicContact CE1-CG2 4.32Å; F299-T302 HydrophobicContact CE2-CG2 4.44Å; F299-T302 HydrophobicContact CZ-CG2 3.94Å; F299-T302 PolarHBondContact N-O 3.32Å; F299-T302 WeakPolarHBondContact O-CA 3.49Å; F299-T302 VanDerWaalsContact O-CB 3.32Å; F299-T302 WeakPolarHBondContact O-CB 3.36Å; F299-T302 PolarHBondContact O-N 3.3Å; N300-T302 PolarHBondContact O-N 3.2Å; N300-T302 VanDerWaalsContact O-N 3.15Å; T302-K304 HydrophobicContact CG2-CG 4.48Å |
| 303 | V | 98.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.7 | 168.6 | -176 | 0 | 0 | 0 | 0 | 109.2 | I296 H297 F298 V321 I324 P325 | I296-V303 HydrophobicContact CG2-CG1 4.14Å; H297-V303 CarbonylContact O-C 3.6Å; H297-V303 VanDerWaalsContact O-CA 3.3Å; H297-V303 WeakPolarHBondContact O-CA 3.43Å; F298-V303 HydrophobicContact CD2-CG2 3.99Å; V303-V321 HydrophobicContact CB-CB 4.45Å; V303-V321 HydrophobicContact CB-CG1 4.26Å; V303-V321 HydrophobicContact CB-CG2 4.33Å; V303-V321 HydrophobicContact CG1-CG2 4.26Å; V303-I324 HydrophobicContact CG1-CB 4.19Å; V303-I324 HydrophobicContact CG1-CG1 4.07Å; V303-I324 HydrophobicContact CG1-CG2 4.48Å; V303-I324 HydrophobicContact CG2-CB 3.82Å; V303-I324 HydrophobicContact CG2-CG2 3.93Å; V303-P325 HydrophobicContact CG2-CG 4.22Å |
| 304 | K | 98.1 | Very high | 96.1 | Very high | 56 Ų | 56 | 35.3 Ų | 35.3 | 24% | 0.243 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146.3 | 164.5 | -68.6 | -171.7 | -175.8 | 174.1 | 0 | 110.5 | G257 I296 H297 F299 T302 F306 T314 | G257-K304 PolarHBondContact O-NZ 2.94Å; G257-K304 VanDerWaalsContact O-NZ 3.09Å; I296-K304 WeakPolarHBondContact CA-O 3.31Å; H297-K304 HydrophobicContact CB-CB 4.4Å; H297-K304 PolarHBondContact N-O 3.28Å; H297-K304 PolarHBondContact O-N 2.94Å; F299-K304 HydrophobicContact CE1-CD 4.29Å; F299-K304 HydrophobicContact CE1-CG 4.18Å; F299-K304 HydrophobicContact CZ-CD 4.22Å; F299-K304 HydrophobicContact CZ-CG 4.36Å; T302-K304 HydrophobicContact CG2-CG 4.48Å; K304-F306 HydrophobicContact CB-CD2 4.43Å; K304-F306 HydrophobicContact CB-CE2 3.69Å; K304-F306 HydrophobicContact CB-CZ 3.75Å; K304-F306 HydrophobicContact CD-CE1 4.18Å; K304-F306 HydrophobicContact CD-CE2 4.11Å; K304-F306 HydrophobicContact CD-CZ 3.42Å; K304-F306 VanDerWaalsContact CD-CZ 3.42Å; K304-F306 HydrophobicContact CG-CZ 4.27Å; K304-T314 WeakPolarHBondContact CA-OG1 3.34Å |
| 305 | V | 98 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125 | 175.5 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | A294 I296 H313 T314 Y317 I320 | A294-V305 HydrophobicContact CB-CG1 3.83Å; I296-V305 HydrophobicContact CG1-CG1 4.44Å; I296-V305 HydrophobicContact CG1-CG2 4.48Å; V305-H313 CarbonylContact O-C 3.52Å; V305-H313 WeakPolarHBondContact O-CA 3.41Å; V305-H313 PolarHBondContact O-N 2.84Å; V305-T314 PolarHBondContact N-OG1 3Å; V305-T314 PolarHBondContact O-N 3.01Å; V305-T314 VanDerWaalsContact O-N 3.14Å; V305-T314 PolarHBondContact O-OG1 3.48Å; V305-Y317 HydrophobicContact CG1-CD2 4.05Å; V305-I320 HydrophobicContact CG2-CB 4.37Å; V305-I320 HydrophobicContact CG2-CG2 3.89Å |
| 306 | F | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 142.6 | 178.2 | -55 | -79.7 | 0 | 0 | 0 | 111.1 | Y69 P259 A294 Q295 H297 K304 E311 N312 | Y69-F306 HydrophobicContact CG-CE1 4.41Å; P259-F306 HydrophobicContact CB-CB 3.74Å; P259-F306 HydrophobicContact CB-CD1 4.08Å; P259-F306 HydrophobicContact CB-CD2 3.67Å; P259-F306 HydrophobicContact CB-CE2 4.19Å; P259-F306 HydrophobicContact CB-CG 3.58Å; P259-F306 HydrophobicContact CG-CB 4.27Å; P259-F306 HydrophobicContact CG-CD1 3.8Å; P259-F306 HydrophobicContact CG-CD2 4.19Å; P259-F306 HydrophobicContact CG-CE1 4.1Å; P259-F306 HydrophobicContact CG-CE2 4.41Å; P259-F306 HydrophobicContact CG-CG 3.84Å; P259-F306 HydrophobicContact CG-CZ 4.35Å; A294-F306 WeakPolarHBondContact CA-O 3.41Å; Q295-F306 PolarHBondContact N-O 3.31Å; Q295-F306 PolarHBondContact O-N 2.91Å; H297-F306 HydrophobicContact CB-CE2 4.32Å; H297-F306 AromaticContact CD2-CD2 3.43Å; H297-F306 VanDerWaalsContact CD2-CD2 3.43Å; H297-F306 WeakPolarHBondContact CD2-CD2 3.42Å; H297-F306 AromaticContact CD2-CE2 3.53Å; H297-F306 AromaticContact CG-CE2 3.75Å; H297-F306 AromaticContact NE2-CD2 3.77Å; K304-F306 HydrophobicContact CB-CD2 4.43Å; K304-F306 HydrophobicContact CB-CE2 3.69Å; K304-F306 HydrophobicContact CB-CZ 3.75Å; K304-F306 HydrophobicContact CD-CE1 4.18Å; K304-F306 HydrophobicContact CD-CE2 4.11Å; K304-F306 HydrophobicContact CD-CZ 3.42Å; K304-F306 VanDerWaalsContact CD-CZ 3.42Å; K304-F306 HydrophobicContact CG-CZ 4.27Å; F306-E311 CarbonylContact C-O 3.53Å; F306-E311 VanDerWaalsContact CA-O 3.28Å; F306-E311 WeakPolarHBondContact CA-O 3.4Å; F306-N312 HydrophobicContact CD1-CB 4.02Å; F306-N312 HydrophobicContact CE1-CB 4.02Å |
| 307 | S | 95.3 | Very high | 95.3 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 170.4 | 175.2 | 77.4 | 0 | 0 | 0 | 0 | 111.9 | N309 L310 E311 | S307-N309 PolarHBondContact O-N 2.96Å; S307-N309 VanDerWaalsContact O-N 3.11Å; S307-N309 PolarHBondContact OG-N 2.94Å; S307-L310 PolarHBondContact O-N 3.46Å; S307-E311 PolarHBondContact N-O 3.24Å; S307-E311 WeakPolarHBondContact OG-CB 3.4Å; S307-E311 PolarHBondContact OG-N 2.69Å |
| 308 | R | 93 | Very high | 95.1 | Very high | 69 Ų | 69 | 38 Ų | 38 | 26% | 0.26 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.3 | -41.2 | 168.1 | -178.9 | -174.6 | 173.3 | 145.8 | 2.2 | 113.9 | P262 R293 L310 | P262-R308 HydrophobicContact CG-CG 4.08Å; R293-R308 HydrophobicContact CB-CB 4.48Å; R293-R308 PolarHBondContact O-N 3.44Å; R308-L310 PolarHBondContact O-N 2.72Å |
| 309 | N | 90.5 | Very high | 94.8 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 22.1 | -174.7 | -59.4 | -11.1 | 0 | 0 | 0 | 111.9 | S307 E311 D606 | S307-N309 PolarHBondContact O-N 2.96Å; S307-N309 VanDerWaalsContact O-N 3.11Å; S307-N309 PolarHBondContact OG-N 2.94Å; N309-E311 PolarHBondContact O-N 3.41Å; N309-E311 VanDerWaalsContact O-N 3.13Å; N309-D606 PolarHBondContact ND2-O 3.47Å; N309-D606 VanDerWaalsContact ND2-O 3.14Å |
| 310 | L | 94.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 64.3 | 7.3 | -179 | -45.7 | 173.4 | 0 | 0 | 0 | 114.5 | Y69 P231 P259 K261 S307 R308 | Y69-L310 VanDerWaalsContact CA-O 3.24Å; Y69-L310 WeakPolarHBondContact CA-O 3.46Å; Y69-L310 WeakPolarHBondContact CB-O 3.33Å; Y69-L310 PolarHBondContact N-O 2.94Å; P231-L310 HydrophobicContact CB-CD1 3.75Å; P231-L310 HydrophobicContact CG-CD1 3.62Å; P231-L310 HydrophobicContact CG-CD2 4.38Å; P259-L310 HydrophobicContact CB-CD2 3.77Å; P259-L310 HydrophobicContact CG-CB 3.95Å; P259-L310 HydrophobicContact CG-CD2 3.97Å; K261-L310 HydrophobicContact CG-CD1 4.05Å; K261-L310 HydrophobicContact CG-CD2 4.39Å; S307-L310 PolarHBondContact O-N 3.46Å; R308-L310 PolarHBondContact O-N 2.72Å |
| 311 | E | 94.2 | Very high | 94.8 | Very high | 70 Ų | 70 | 31.9 Ų | 31.9 | 33% | 0.327 | 19% | 0.19 | S | C | . | . | trans | -65.6 | 138.2 | 175.2 | -60.5 | -174.4 | 158.5 | 0 | 0 | 110.2 | F306 S307 N309 H313 R368 | F306-E311 CarbonylContact C-O 3.53Å; F306-E311 VanDerWaalsContact CA-O 3.28Å; F306-E311 WeakPolarHBondContact CA-O 3.4Å; S307-E311 PolarHBondContact N-O 3.24Å; S307-E311 WeakPolarHBondContact OG-CB 3.4Å; S307-E311 PolarHBondContact OG-N 2.69Å; N309-E311 PolarHBondContact O-N 3.41Å; N309-E311 VanDerWaalsContact O-N 3.13Å; E311-H313 PolarHBondContact O-N 3.24Å; E311-H313 IonicContact OE2-CD2 3.48Å; E311-H313 IonicContact OE2-CE1 3.98Å; E311-H313 IonicContact OE2-NE2 3.41Å; E311-H313 PolarHBondContact OE2-NE2 2.98Å; E311-R368 IonicContact OE1-NH1 3.65Å; E311-R368 IonicContact OE2-NH1 2.71Å | ||
| 312 | N | 95.1 | Very high | 94.9 | Very high | 69 Ų | 69 | 33.3 Ų | 33.3 | 37% | 0.369 | 18% | 0.18 | S | C | . | . | B | Isolated β-bridge | trans | -77.7 | 106.7 | 175.3 | -178.8 | -7.8 | 0 | 0 | 0 | 111.1 | Y69 F306 T314 | Y69-N312 WeakPolarHBondContact O-CB 3.5Å; F306-N312 HydrophobicContact CD1-CB 4.02Å; F306-N312 HydrophobicContact CE1-CB 4.02Å; N312-T314 WeakPolarHBondContact OD1-CB 3.19Å; N312-T314 PolarHBondContact OD1-N 2.95Å; N312-T314 VanDerWaalsContact OD1-N 3.11Å; N312-T314 PolarHBondContact OD1-OG1 3.21Å |
| 313 | H | 94.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | trans | -101.2 | 9.3 | -179.7 | -78.5 | -150.2 | 0 | 0 | 0 | 112.9 | E292 V305 E311 G315 K316 Y317 | E292-H313 IonicContact OE2-ND1 3.22Å; V305-H313 CarbonylContact O-C 3.52Å; V305-H313 WeakPolarHBondContact O-CA 3.41Å; V305-H313 PolarHBondContact O-N 2.84Å; E311-H313 PolarHBondContact O-N 3.24Å; E311-H313 IonicContact OE2-CD2 3.48Å; E311-H313 IonicContact OE2-CE1 3.98Å; E311-H313 IonicContact OE2-NE2 3.41Å; E311-H313 PolarHBondContact OE2-NE2 2.98Å; H313-G315 PolarHBondContact O-N 2.96Å; H313-K316 VanDerWaalsContact O-CB 3.29Å; H313-K316 WeakPolarHBondContact O-CB 3.4Å; H313-K316 PolarHBondContact O-N 3.47Å; H313-Y317 HydrophobicContact CB-CD2 4.06Å; H313-Y317 HydrophobicContact CB-CE2 4Å; H313-Y317 WeakPolarHBondContact O-CD2 3.44Å | ||
| 314 | T | 95 | Very high | 94.8 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -31.6 | -180 | -49.6 | 0 | 0 | 0 | 0 | 113.2 | K304 V305 N312 K316 Y317 V321 | K304-T314 WeakPolarHBondContact CA-OG1 3.34Å; V305-T314 PolarHBondContact N-OG1 3Å; V305-T314 PolarHBondContact O-N 3.01Å; V305-T314 VanDerWaalsContact O-N 3.14Å; V305-T314 PolarHBondContact O-OG1 3.48Å; N312-T314 WeakPolarHBondContact OD1-CB 3.19Å; N312-T314 PolarHBondContact OD1-N 2.95Å; N312-T314 VanDerWaalsContact OD1-N 3.11Å; N312-T314 PolarHBondContact OD1-OG1 3.21Å; T314-K316 VanDerWaalsContact C-N 3.33Å; T314-K316 PolarHBondContact O-N 3.43Å; T314-Y317 CarbonylContact O-C 3.59Å; T314-V321 HydrophobicContact CG2-CG2 3.55Å |
| 315 | G | 91.7 | Very high | 94.7 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 35% | 0.351 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 9.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | H313 | H313-G315 PolarHBondContact O-N 2.96Š|
| 316 | K | 92.2 | Very high | 94.5 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 4% | 0.043 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -110.1 | -23.9 | -170.6 | -177.5 | 176.8 | 171.8 | -170.5 | 0 | 119 | E292 H313 T314 P318 R366 | E292-K316 IonicContact OE1-NZ 2.66Å; E292-K316 PolarHBondContact OE1-NZ 2.95Å; E292-K316 IonicContact OE2-NZ 3.71Å; E292-K316 PolarHBondContact OE2-NZ 3.41Å; H313-K316 VanDerWaalsContact O-CB 3.29Å; H313-K316 WeakPolarHBondContact O-CB 3.4Å; H313-K316 PolarHBondContact O-N 3.47Å; T314-K316 VanDerWaalsContact C-N 3.33Å; T314-K316 PolarHBondContact O-N 3.43Å; K316-P318 VanDerWaalsContact C-CD 3.46Å; K316-R366 HydrophobicContact CG-CB 4.23Å; K316-R366 PolarHBondContact O-NH1 2.93Å |
| 317 | Y | 94.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | cis | 128.7 | -32.3 | -6.8 | 34.6 | -93.7 | 0 | 0 | 0 | 110.6 | E292 V305 H313 T314 D319 I320 V321 V347 V380 | E292-Y317 PolarHBondContact OE2-OH 3.33Å; V305-Y317 HydrophobicContact CG1-CD2 4.05Å; H313-Y317 HydrophobicContact CB-CD2 4.06Å; H313-Y317 HydrophobicContact CB-CE2 4Å; H313-Y317 WeakPolarHBondContact O-CD2 3.44Å; T314-Y317 CarbonylContact O-C 3.59Å; Y317-D319 PolarHBondContact O-N 3.43Å; Y317-I320 HydrophobicContact CD1-CD1 3.5Å; Y317-I320 VanDerWaalsContact CD1-CD1 3.5Å; Y317-I320 HydrophobicContact CD1-CG1 4.12Å; Y317-I320 HydrophobicContact CD2-CD1 4.49Å; Y317-I320 HydrophobicContact CE1-CD1 4.25Å; Y317-I320 HydrophobicContact CG-CD1 3.69Å; Y317-I320 HydrophobicContact CG-CG1 4.3Å; Y317-I320 PolarHBondContact O-N 2.88Å; Y317-V321 WeakPolarHBondContact O-CG2 3.47Å; Y317-V321 PolarHBondContact O-N 3.09Å; Y317-V321 VanDerWaalsContact O-N 3.11Å; Y317-V347 HydrophobicContact CD1-CG1 4.34Å; Y317-V347 HydrophobicContact CE1-CB 4.5Å; Y317-V347 HydrophobicContact CE1-CG1 3.65Å; Y317-V380 HydrophobicContact CD1-CG2 4.39Å; Y317-V380 HydrophobicContact CE1-CG2 4.5Å | ||
| 318 | P | 93.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -21.4 | -71 | 166.8 | 46.4 | -35.2 | 0 | 0 | 0 | 117.6 | K316 V321 E322 A371 | K316-P318 VanDerWaalsContact C-CD 3.46Å; P318-V321 PolarHBondContact O-N 3.09Å; P318-E322 PolarHBondContact O-N 3.4Å; P318-E322 VanDerWaalsContact O-N 3.16Å; P318-A371 HydrophobicContact CG-CB 4.18Å; P318-A371 VanDerWaalsContact CG-O 3.26Å; P318-A371 WeakPolarHBondContact CG-O 3.38Å |
| 319 | D | 92.8 | Very high | 94.3 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | -175.4 | 43.5 | -5.9 | 0 | 0 | 0 | 113.2 | Y317 V321 E322 L323 R366 I376 V380 | Y317-D319 PolarHBondContact O-N 3.43Å; D319-V321 VanDerWaalsContact C-N 3.34Å; D319-V321 PolarHBondContact O-N 3.4Å; D319-E322 PolarHBondContact O-N 3.02Å; D319-L323 WeakPolarHBondContact O-CB 3.32Å; D319-L323 PolarHBondContact O-N 3.33Å; D319-R366 IonicContact OD1-CZ 3.66Å; D319-R366 IonicContact OD1-NH1 3.73Å; D319-R366 PolarHBondContact OD1-NH1 3.36Å; D319-R366 VanDerWaalsContact OD1-NH1 3.1Å; D319-R366 IonicContact OD1-NH2 3.76Å; D319-R366 IonicContact OD2-CZ 3.59Å; D319-R366 IonicContact OD2-NH1 3.4Å; D319-R366 PolarHBondContact OD2-NH1 2.66Å; D319-R366 IonicContact OD2-NH2 2.75Å; D319-R366 PolarHBondContact OD2-NH2 3.5Å; D319-I376 HydrophobicContact CB-CD1 3.74Å; D319-V380 WeakPolarHBondContact OD2-CG2 3.44Å |
| 320 | I | 95.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 177.4 | -58.4 | -178.7 | 0 | 0 | 0 | 110.1 | I296 V305 Y317 E322 L323 I324 V347 V380 V382 | I296-I320 HydrophobicContact CD1-CG2 3.86Å; I296-I320 HydrophobicContact CG1-CG2 4.49Å; V305-I320 HydrophobicContact CG2-CB 4.37Å; V305-I320 HydrophobicContact CG2-CG2 3.89Å; Y317-I320 HydrophobicContact CD1-CD1 3.5Å; Y317-I320 VanDerWaalsContact CD1-CD1 3.5Å; Y317-I320 HydrophobicContact CD1-CG1 4.12Å; Y317-I320 HydrophobicContact CD2-CD1 4.49Å; Y317-I320 HydrophobicContact CE1-CD1 4.25Å; Y317-I320 HydrophobicContact CG-CD1 3.69Å; Y317-I320 HydrophobicContact CG-CG1 4.3Å; Y317-I320 PolarHBondContact O-N 2.88Å; I320-E322 VanDerWaalsContact C-N 3.32Å; I320-E322 PolarHBondContact O-N 3.02Å; I320-L323 PolarHBondContact O-N 3.47Å; I320-L323 VanDerWaalsContact O-N 3.11Å; I320-I324 HydrophobicContact CG2-CD1 4.38Å; I320-I324 HydrophobicContact CG2-CG1 3.94Å; I320-I324 VanDerWaalsContact O-CG1 3.3Å; I320-I324 WeakPolarHBondContact O-CG1 2.99Å; I320-I324 PolarHBondContact O-N 3.29Å; I320-V347 HydrophobicContact CD1-CG1 4.21Å; I320-V347 HydrophobicContact CD1-CG2 3.71Å; I320-V380 HydrophobicContact CD1-CG2 4.46Å; I320-V380 HydrophobicContact CG1-CG2 4.45Å; I320-V382 HydrophobicContact CD1-CG2 3.66Å; I320-V382 HydrophobicContact CG1-CG2 3.82Å; I320-V382 HydrophobicContact CG2-CG2 4.38Å |
| 321 | V | 96.2 | Very high | 92.6 | Very high | 42 Ų | 42 | 38.1 Ų | 38.1 | 26% | 0.255 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 178.9 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | V303 T314 Y317 P318 D319 P325 | V303-V321 HydrophobicContact CB-CB 4.45Å; V303-V321 HydrophobicContact CB-CG1 4.26Å; V303-V321 HydrophobicContact CB-CG2 4.33Å; V303-V321 HydrophobicContact CG1-CG2 4.26Å; T314-V321 HydrophobicContact CG2-CG2 3.55Å; Y317-V321 WeakPolarHBondContact O-CG2 3.47Å; Y317-V321 PolarHBondContact O-N 3.09Å; Y317-V321 VanDerWaalsContact O-N 3.11Å; P318-V321 PolarHBondContact O-N 3.09Å; D319-V321 VanDerWaalsContact C-N 3.34Å; D319-V321 PolarHBondContact O-N 3.4Å; V321-P325 WeakPolarHBondContact O-CD 3.15Å |
| 322 | E | 95.2 | Very high | 91 | Very high | 91 Ų | 91 | 42.4 Ų | 42.4 | 43% | 0.425 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -77 | -19.4 | 176.5 | -69.3 | -179.1 | -159.5 | 0 | 0 | 114.2 | P318 D319 I320 K326 S373 | P318-E322 PolarHBondContact O-N 3.4Å; P318-E322 VanDerWaalsContact O-N 3.16Å; D319-E322 PolarHBondContact O-N 3.02Å; I320-E322 VanDerWaalsContact C-N 3.32Å; I320-E322 PolarHBondContact O-N 3.02Å; E322-K326 WeakPolarHBondContact O-CD 3.24Å; E322-K326 WeakPolarHBondContact O-CE 3.28Å; E322-K326 PolarHBondContact O-NZ 3.18Å; E322-S373 WeakPolarHBondContact OE1-CB 3.38Å; E322-S373 PolarHBondContact OE1-OG 2.88Å |
| 323 | L | 95.9 | Very high | 89.4 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -89.3 | -40.7 | -175 | 179.6 | 63.9 | 0 | 0 | 0 | 112.8 | D319 I320 K326 V327 H417 F418 | D319-L323 WeakPolarHBondContact O-CB 3.32Å; D319-L323 PolarHBondContact O-N 3.33Å; I320-L323 PolarHBondContact O-N 3.47Å; I320-L323 VanDerWaalsContact O-N 3.11Å; L323-K326 WeakPolarHBondContact O-CA 3.34Å; L323-K326 WeakPolarHBondContact O-CB 3.46Å; L323-K326 PolarHBondContact O-N 3.16Å; L323-V327 HydrophobicContact CD1-CG1 3.71Å; L323-V327 HydrophobicContact CG-CG1 3.9Å; L323-V327 PolarHBondContact O-N 3.33Å; L323-H417 HydrophobicContact CD1-CB 4.39Å; L323-H417 HydrophobicContact CD2-CB 3.75Å; L323-F418 HydrophobicContact CD2-CB 3.95Å |
| 324 | I | 97.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -53.3 | -45.7 | -173.3 | -68.9 | -68.3 | 0 | 0 | 0 | 113.4 | I296 F298 V303 I320 K326 V327 L328 F418 | I296-I324 HydrophobicContact CD1-CD1 4.19Å; I296-I324 HydrophobicContact CG2-CD1 3.72Å; I296-I324 HydrophobicContact CG2-CG1 3.78Å; F298-I324 HydrophobicContact CB-CG2 4.08Å; F298-I324 HydrophobicContact CD2-CG2 4.14Å; F298-I324 HydrophobicContact CG-CG2 4.36Å; V303-I324 HydrophobicContact CG1-CB 4.19Å; V303-I324 HydrophobicContact CG1-CG1 4.07Å; V303-I324 HydrophobicContact CG1-CG2 4.48Å; V303-I324 HydrophobicContact CG2-CB 3.82Å; V303-I324 HydrophobicContact CG2-CG2 3.93Å; I320-I324 HydrophobicContact CG2-CD1 4.38Å; I320-I324 HydrophobicContact CG2-CG1 3.94Å; I320-I324 VanDerWaalsContact O-CG1 3.3Å; I320-I324 WeakPolarHBondContact O-CG1 2.99Å; I320-I324 PolarHBondContact O-N 3.29Å; I324-K326 PolarHBondContact O-N 3.22Å; I324-K326 VanDerWaalsContact O-N 3.1Å; I324-V327 HydrophobicContact CD1-CG2 4.32Å; I324-V327 WeakPolarHBondContact O-CG2 3.4Å; I324-V327 PolarHBondContact O-N 3.48Å; I324-L328 HydrophobicContact CG2-CD1 3.8Å; I324-L328 HydrophobicContact CG2-CG 4.32Å; I324-L328 WeakPolarHBondContact O-CG 3.25Å; I324-L328 PolarHBondContact O-N 3.32Å; I324-L328 VanDerWaalsContact O-N 3.16Å; I324-F418 HydrophobicContact CD1-CD2 3.95Å; I324-F418 HydrophobicContact CD1-CE2 3.46Å; I324-F418 VanDerWaalsContact CD1-CE2 3.46Å; I324-F418 HydrophobicContact CD1-CZ 4.39Å |
| 325 | P | 94.9 | Very high | 86.3 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 44% | 0.442 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.3 | -13.3 | 177 | -21.5 | 34.7 | 0 | 0 | 0 | 115 | F298 V303 V321 | F298-P325 HydrophobicContact CE2-CG 4.29Å; V303-P325 HydrophobicContact CG2-CG 4.22Å; V321-P325 WeakPolarHBondContact O-CD 3.15Å |
| 326 | K | 94.2 | Very high | 85.8 | Confident | 122 Ų | 122 | 63.6 Ų | 63.6 | 53% | 0.53 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -98.4 | -19.3 | -178.5 | -55.9 | 169.8 | -176.8 | 148.5 | 0 | 113.2 | E322 L323 I324 R412 | E322-K326 WeakPolarHBondContact O-CD 3.24Å; E322-K326 WeakPolarHBondContact O-CE 3.28Å; E322-K326 PolarHBondContact O-NZ 3.18Å; L323-K326 WeakPolarHBondContact O-CA 3.34Å; L323-K326 WeakPolarHBondContact O-CB 3.46Å; L323-K326 PolarHBondContact O-N 3.16Å; I324-K326 PolarHBondContact O-N 3.22Å; I324-K326 VanDerWaalsContact O-N 3.1Å; K326-R412 PolarHBondContact O-NH2 2.85Å |
| 327 | V | 96.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -98.5 | -24.7 | 177.8 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | L323 I324 V329 I411 R412 V414 F418 | L323-V327 HydrophobicContact CD1-CG1 3.71Å; L323-V327 HydrophobicContact CG-CG1 3.9Å; L323-V327 PolarHBondContact O-N 3.33Å; I324-V327 HydrophobicContact CD1-CG2 4.32Å; I324-V327 WeakPolarHBondContact O-CG2 3.4Å; I324-V327 PolarHBondContact O-N 3.48Å; V327-V329 PolarHBondContact O-N 2.84Å; V327-I411 HydrophobicContact CG2-CD1 4.07Å; V327-I411 WeakPolarHBondContact O-CA 3.49Å; V327-R412 WeakPolarHBondContact CB-O 3.38Å; V327-R412 PolarHBondContact O-N 2.97Å; V327-V414 HydrophobicContact CG1-CB 4.44Å; V327-V414 HydrophobicContact CG1-CG2 3.76Å; V327-F418 HydrophobicContact CG1-CB 3.99Å; V327-F418 HydrophobicContact CG1-CG 4.41Å; V327-F418 HydrophobicContact CG2-CD2 4.17Å; V327-F418 HydrophobicContact CG2-CG 4.18Å |
| 328 | L | 95.4 | Very high | 85.6 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 128.6 | 170.2 | -72.4 | 168.1 | 0 | 0 | 0 | 110.4 | F298 I324 V338 I410 I411 | F298-L328 HydrophobicContact CB-CD1 4.08Å; F298-L328 HydrophobicContact CD1-CD1 3.5Å; F298-L328 HydrophobicContact CD2-CD1 3.97Å; F298-L328 HydrophobicContact CE1-CD1 3.84Å; F298-L328 HydrophobicContact CE2-CD1 4.26Å; F298-L328 HydrophobicContact CG-CD1 3.57Å; F298-L328 HydrophobicContact CZ-CD1 4.19Å; I324-L328 HydrophobicContact CG2-CD1 3.8Å; I324-L328 HydrophobicContact CG2-CG 4.32Å; I324-L328 WeakPolarHBondContact O-CG 3.25Å; I324-L328 PolarHBondContact O-N 3.32Å; I324-L328 VanDerWaalsContact O-N 3.16Å; L328-V338 HydrophobicContact CD2-CG1 4.34Å; L328-I410 WeakPolarHBondContact CA-O 3.34Å; L328-I411 HydrophobicContact CD2-CD1 3.84Å; L328-I411 HydrophobicContact CG-CD1 4.42Å |
| 329 | V | 91.6 | Very high | 85.6 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 29% | 0.285 | 39% | 0.388 | S | S | . | . | trans | -120.1 | 156.5 | 176.3 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | V327 I410 R412 | V327-V329 PolarHBondContact O-N 2.84Å; V329-I410 PolarHBondContact N-O 3.09Å; V329-R412 HydrophobicContact CG1-CB 3.71Å | ||
| 330 | C | 81.2 | Confident | 85.8 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 45% | 0.446 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 130.1 | 164.9 | -55.9 | 0 | 0 | 0 | 0 | 108 | P337 | C330-P337 VanDerWaalsContact SG-CA 3.58Š|
| 331 | P | 68 | Low | 85.9 | Confident | 25 Ų | 25 | 69.3 Ų | 69.3 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 139.1 | 166.4 | -23.6 | 34.5 | 0 | 0 | 0 | 110.1 | K334 E409 I410 | P331-K334 PolarHBondContact O-N 3.46Å; P331-E409 HydrophobicContact CB-CB 4.48Å; P331-E409 HydrophobicContact CG-CB 4.47Å; P331-I410 HydrophobicContact CG-CG2 3.98Å |
| 332 | D | 60.6 | Low | 86 | Confident | 161 Ų | 161 | 67.3 Ų | 67.3 | 86% | 0.861 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 146.4 | 174.7 | -67.4 | -49.4 | 0 | 0 | 0 | 110.7 | K334 | D332-K334 PolarHBondContact O-N 3.1Š|
| 333 | D | 60.6 | Low | 86.2 | Confident | 178 Ų | 178 | 63 Ų | 63 | 95% | 0.952 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | -10.5 | -167.1 | -64.8 | -27.9 | 0 | 0 | 0 | 118.1 | ||
| 334 | K | 56.8 | Low | 86.3 | Confident | 141 Ų | 141 | 62 Ų | 62 | 61% | 0.613 | 35% | 0.346 | S | S | * | . | trans | -99.2 | 104.8 | 173.1 | -71.7 | -171.4 | -177.5 | 173 | 0 | 112.5 | P331 D332 K336 | P331-K334 PolarHBondContact O-N 3.46Å; D332-K334 PolarHBondContact O-N 3.1Å; K334-K336 PolarHBondContact O-N 2.76Å | ||
| 335 | A | 68.6 | Low | 86.4 | Confident | 109 Ų | 109 | 62 Ų | 62 | 90% | 0.901 | 35% | 0.346 | S | S | * | . | trans | -65.6 | 20.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 336 | K | 81.3 | Confident | 86.5 | Confident | 167 Ų | 167 | 60.2 Ų | 60.2 | 73% | 0.726 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -127 | 125.4 | -179.6 | -67.5 | -175.6 | 179.3 | -179.5 | 0 | 109.4 | K334 | K334-K336 PolarHBondContact O-N 2.76Š|
| 337 | P | 88.1 | Confident | 86.6 | Confident | 85 Ų | 85 | 54.4 Ų | 54.4 | 55% | 0.552 | 31% | 0.307 | S | S | * | . | trans | -67 | 154.2 | 173.8 | 30.6 | -35.4 | 0 | 0 | 0 | 110.7 | C330 T339 | C330-P337 VanDerWaalsContact SG-CA 3.58Å; P337-T339 PolarHBondContact O-N 3.02Å | ||
| 338 | V | 92.8 | Very high | 86.6 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | trans | -54.5 | 123 | 168.5 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | F298 L328 C341 L390 I410 | F298-V338 WeakPolarHBondContact CE1-O 3.43Å; L328-V338 HydrophobicContact CD2-CG1 4.34Å; V338-C341 HydrophobicContact CG1-CB 4.22Å; V338-L390 HydrophobicContact CG1-CD1 3.93Å; V338-L390 HydrophobicContact CG2-CD1 4.44Å; V338-I410 HydrophobicContact CG2-CB 3.95Å; V338-I410 HydrophobicContact CG2-CG2 3.9Å | ||
| 339 | T | 93.9 | Very high | 86.4 | Confident | 79 Ų | 79 | 53.2 Ų | 53.2 | 49% | 0.485 | 30% | 0.301 | S | S | . | . | trans | -92.7 | -33.6 | -180 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | P337 D391 | P337-T339 PolarHBondContact O-N 3.02Å; T339-D391 WeakPolarHBondContact CA-OD1 3.3Å; T339-D391 WeakPolarHBondContact CB-OD1 3.4Å; T339-D391 PolarHBondContact N-OD1 2.71Å; T339-D391 PolarHBondContact OG1-OD1 3.38Å | ||
| 340 | S | 97.1 | Very high | 86.5 | Confident | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 141.1 | 179 | 49 | 0 | 0 | 0 | 0 | 113 | F298 D391 | F298-S340 CarbonylContact O-C 3.57Å; F298-S340 WeakPolarHBondContact O-CA 3.29Å; F298-S340 WeakPolarHBondContact O-CB 3.3Å; S340-D391 PolarHBondContact N-OD1 3.27Å; S340-D391 PolarHBondContact O-N 3.46Å |
| 341 | C | 98.1 | Very high | 87 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 161.7 | 173.4 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | F298 V338 L387 Y389 L390 I410 | F298-C341 PolarHBondContact N-O 3.05Å; F298-C341 PolarHBondContact O-N 3.11Å; V338-C341 HydrophobicContact CG1-CB 4.22Å; C341-L387 HydrophobicContact CB-CD1 4.11Å; C341-Y389 VanDerWaalsContact CA-O 3.24Å; C341-Y389 WeakPolarHBondContact CA-O 3.33Å; C341-L390 HydrophobicContact CB-CD1 4.24Å; C341-I410 HydrophobicContact CB-CD1 4.2Å |
| 342 | I | 98.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 111.6 | 172 | -57.8 | 172.6 | 0 | 0 | 0 | 108.6 | I254 P256 I260 Q295 I296 H297 L388 Y389 | I254-I342 HydrophobicContact CG2-CD1 3.56Å; P256-I342 HydrophobicContact CG-CD1 4.4Å; I260-I342 HydrophobicContact CD1-CD1 4Å; I260-I342 HydrophobicContact CD1-CG2 4.18Å; Q295-I342 HydrophobicContact CG-CG2 3.78Å; I296-I342 CarbonylContact O-C 3.56Å; I296-I342 WeakPolarHBondContact O-CA 3.48Å; H297-I342 WeakPolarHBondContact CE1-CD1 3.46Å; I342-L388 HydrophobicContact CB-CB 4.32Å; I342-L388 HydrophobicContact CG2-CB 4.2Å; I342-L388 HydrophobicContact CG2-CD1 4.26Å; I342-L388 HydrophobicContact CG2-CG 4.5Å; I342-L388 PolarHBondContact O-N 2.94Å; I342-Y389 HydrophobicContact CD1-CG 4.14Å; I342-Y389 HydrophobicContact CG1-CG 4.36Å; I342-Y389 PolarHBondContact N-O 3.15Å; I342-Y389 VanDerWaalsContact N-O 3.07Å |
| 343 | I | 98.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.1 | -177.3 | -58 | 167.8 | 0 | 0 | 0 | 109 | Q295 I296 A384 L387 L407 I411 F418 | Q295-I343 CarbonylContact C-O 3.57Å; Q295-I343 WeakPolarHBondContact CA-O 3.48Å; I296-I343 HydrophobicContact CB-CB 4.46Å; I296-I343 PolarHBondContact N-O 3.31Å; I296-I343 PolarHBondContact O-N 3.23Å; I343-A384 HydrophobicContact CG2-CB 3.75Å; I343-L387 HydrophobicContact CG1-CD1 3.95Å; I343-L407 HydrophobicContact CG1-CD1 4.18Å; I343-L407 HydrophobicContact CG2-CD1 4.03Å; I343-I411 HydrophobicContact CD1-CD1 3.93Å; I343-I411 HydrophobicContact CD1-CG1 4.44Å; I343-F418 HydrophobicContact CD1-CZ 4.27Å; I343-F418 HydrophobicContact CG2-CZ 4.46Å |
| 344 | D | 98.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.7 | 170.6 | -153.7 | -9.3 | 0 | 0 | 0 | 108.8 | R293 F385 D386 L388 Y458 | R293-D344 IonicContact CZ-OD1 2.81Å; R293-D344 IonicContact CZ-OD2 2.7Å; R293-D344 IonicContact NE-OD1 3.79Å; R293-D344 PolarHBondContact NE-OD1 3.29Å; R293-D344 IonicContact NE-OD2 3.99Å; R293-D344 IonicContact NH2-OD1 2.66Å; R293-D344 IonicContact NH2-OD2 2.73Å; R293-D344 PolarHBondContact NH2-OD2 3.03Å; D344-F385 HydrophobicContact CB-CD2 4.26Å; D344-F385 HydrophobicContact CB-CE2 3.65Å; D344-F385 HydrophobicContact CB-CZ 4.09Å; D344-F385 PolarHBondContact O-N 3.49Å; D344-F385 VanDerWaalsContact OD1-CZ 3.32Å; D344-F385 WeakPolarHBondContact OD1-CZ 3.35Å; D344-D386 HydrophobicContact CB-CB 4Å; D344-D386 PolarHBondContact N-O 3.19Å; D344-D386 PolarHBondContact O-N 3.07Å; D344-L388 HydrophobicContact CB-CD1 4.3Å; D344-L388 HydrophobicContact CB-CG 4.41Å; D344-Y458 WeakPolarHBondContact OD2-CE2 3.35Å; D344-Y458 PolarHBondContact OD2-OH 3.46Å |
| 345 | S | 98.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 161.6 | -168 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | R293 A294 I296 F383 F385 | R293-S345 WeakPolarHBondContact CA-O 3.23Å; A294-S345 PolarHBondContact N-O 3.26Å; A294-S345 PolarHBondContact O-N 2.96Å; A294-S345 VanDerWaalsContact O-N 3.08Å; A294-S345 VanDerWaalsContact O-O 3.14Å; A294-S345 PolarHBondContact O-OG 3.5Å; I296-S345 WeakPolarHBondContact CD1-OG 3.26Å; S345-F383 CarbonylContact C-O 3.53Å; S345-F383 VanDerWaalsContact CA-O 3.26Å; S345-F383 WeakPolarHBondContact CA-O 3.33Å; S345-F383 WeakPolarHBondContact CB-O 3.18Å; S345-F385 VanDerWaalsContact CA-CE1 3.47Å |
| 346 | E | 97.7 | Very high | 93.6 | Very high | 32 Ų | 32 | 45 Ų | 45 | 15% | 0.15 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.8 | 168.1 | -160.2 | 78.6 | 178.2 | 0 | 0 | 109.6 | G291 E292 R293 F383 F385 | G291-E346 WeakPolarHBondContact CA-OE1 3.23Å; G291-E346 PolarHBondContact N-OE1 2.91Å; E292-E346 PolarHBondContact N-OE1 2.9Å; R293-E346 VanDerWaalsContact CA-OE2 3.22Å; R293-E346 WeakPolarHBondContact CA-OE2 3.25Å; R293-E346 WeakPolarHBondContact CB-OE2 3.36Å; R293-E346 PolarHBondContact N-OE1 3.48Å; R293-E346 PolarHBondContact N-OE2 3.49Å; E346-F383 PolarHBondContact N-O 3.35Å; E346-F383 PolarHBondContact O-N 3.24Å; E346-F385 HydrophobicContact CB-CE1 4.42Å |
| 347 | V | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.2 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | G291 E292 A294 Y317 I320 L363 V380 V382 | G291-V347 CarbonylContact C-O 3.42Å; G291-V347 VanDerWaalsContact CA-O 3.24Å; G291-V347 WeakPolarHBondContact CA-O 3.34Å; E292-V347 PolarHBondContact N-O 2.89Å; E292-V347 PolarHBondContact O-N 3.3Å; A294-V347 HydrophobicContact CB-CG2 3.48Å; A294-V347 VanDerWaalsContact CB-CG2 3.48Å; Y317-V347 HydrophobicContact CD1-CG1 4.34Å; Y317-V347 HydrophobicContact CE1-CB 4.5Å; Y317-V347 HydrophobicContact CE1-CG1 3.65Å; I320-V347 HydrophobicContact CD1-CG1 4.21Å; I320-V347 HydrophobicContact CD1-CG2 3.71Å; V347-L363 HydrophobicContact CG1-CD1 4.44Å; V347-L363 WeakPolarHBondContact O-CD2 3.42Å; V347-V380 HydrophobicContact CG1-CB 3.63Å; V347-V380 HydrophobicContact CG1-CG1 3.83Å; V347-V380 HydrophobicContact CG1-CG2 3.73Å; V347-V382 HydrophobicContact CG2-CG2 4.37Å |
| 348 | V | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151.5 | 177 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | Y289 I357 V380 C381 F383 | Y289-V348 HydrophobicContact CD1-CG1 4.27Å; Y289-V348 HydrophobicContact CG-CG1 4.47Å; V348-I357 HydrophobicContact CB-CG2 4.21Å; V348-I357 HydrophobicContact CG2-CG1 4.3Å; V348-I357 HydrophobicContact CG2-CG2 4.19Å; V348-V380 CarbonylContact O-C 3.55Å; V348-V380 WeakPolarHBondContact O-CA 3.3Å; V348-V380 WeakPolarHBondContact O-CB 3.46Å; V348-V380 WeakPolarHBondContact O-CG1 3.42Å; V348-C381 HydrophobicContact CG2-CB 4.4Å; V348-C381 PolarHBondContact N-O 2.68Å; V348-C381 PolarHBondContact O-N 3.32Å; V348-F383 HydrophobicContact CG2-CD2 3.8Å; V348-F383 HydrophobicContact CG2-CE2 3.52Å |
| 349 | A | 92 | Very high | 93.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 139.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L358 I362 L363 V378 T379 | A349-L358 HydrophobicContact CB-CB 3.76Å; A349-L358 HydrophobicContact CB-CD1 4.4Å; A349-L358 PolarHBondContact O-N 3.06Å; A349-I362 HydrophobicContact CB-CB 4.29Å; A349-I362 HydrophobicContact CB-CG2 4.27Å; A349-L363 HydrophobicContact CB-CB 4.1Å; A349-V378 HydrophobicContact CB-CG1 3.92Å; A349-T379 WeakPolarHBondContact CA-O 3.49Å |
| 350 | W | 94 | Very high | 92.7 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 135.9 | -172.1 | -171.9 | -97.1 | 0 | 0 | 0 | 112.2 | Q355 I357 T379 C381 F383 G416 | W350-Q355 WeakPolarHBondContact CH2-O 3.39Å; W350-Q355 HydrophobicContact CZ2-CB 4.09Å; W350-Q355 WeakPolarHBondContact CZ2-O 3.39Å; W350-I357 HydrophobicContact CE3-CG1 4.13Å; W350-I357 HydrophobicContact CZ3-CG1 3.82Å; W350-T379 PolarHBondContact N-O 3.46Å; W350-C381 HydrophobicContact CB-CB 4.1Å; W350-C381 HydrophobicContact CD2-CB 3.98Å; W350-C381 HydrophobicContact CE3-CB 3.85Å; W350-C381 HydrophobicContact CG-CB 4.11Å; W350-F383 HydrophobicContact CE3-CE2 4.48Å; W350-F383 HydrophobicContact CZ3-CE2 4.29Å; W350-F383 AromaticContact CZ3-CZ 3.92Å; W350-F383 HydrophobicContact CZ3-CZ 3.92Å; W350-G416 VanDerWaalsContact CE2-CA 3.43Å; W350-G416 VanDerWaalsContact NE1-CA 3.31Å |
| 351 | D | 91.1 | Very high | 91.6 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 104.9 | 171 | -172 | -36.3 | 0 | 0 | 0 | 108.6 | E353 K354 Q355 C356 L358 | D351-E353 VanDerWaalsContact C-N 3.27Å; D351-E353 PolarHBondContact O-N 3.48Å; D351-E353 PolarHBondContact OD1-N 3.04Å; D351-K354 HydrophobicContact CB-CB 4.26Å; D351-K354 PolarHBondContact OD1-N 2.82Å; D351-K354 WeakPolarHBondContact OD2-CD 3.31Å; D351-K354 WeakPolarHBondContact OD2-CG 3.47Å; D351-K354 IonicContact OD2-NZ 3.49Å; D351-K354 PolarHBondContact OD2-NZ 3.01Å; D351-Q355 VanDerWaalsContact O-CA 3.28Å; D351-Q355 WeakPolarHBondContact O-CA 3.31Å; D351-Q355 PolarHBondContact O-N 3.05Å; D351-C356 PolarHBondContact N-O 2.83Å; D351-C356 PolarHBondContact O-N 3.11Å; D351-L358 HydrophobicContact CB-CD1 4.26Å; D351-L358 HydrophobicContact CB-CD2 3.96Å; D351-L358 HydrophobicContact CB-CG 3.98Å |
| 352 | S | 90.4 | Very high | 90.9 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 39% | 0.392 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.3 | -178.5 | -60.3 | 0 | 0 | 0 | 0 | 113.8 | Q355 | S352-Q355 PolarHBondContact O-NE2 3.3Š|
| 353 | E | 90.9 | Very high | 90.3 | Very high | 178 Ų | 178 | 44.3 Ų | 44.3 | 83% | 0.832 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -46.5 | 179 | -64.1 | 178 | -179.6 | 0 | 0 | 110.8 | D351 | D351-E353 VanDerWaalsContact C-N 3.27Å; D351-E353 PolarHBondContact O-N 3.48Å; D351-E353 PolarHBondContact OD1-N 3.04Å |
| 354 | K | 90.1 | Very high | 89.4 | Confident | 146 Ų | 146 | 47.8 Ų | 47.8 | 64% | 0.635 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -3.7 | -177.9 | -57.9 | -176.1 | -162 | 109.6 | 0 | 114 | D351 C356 | D351-K354 HydrophobicContact CB-CB 4.26Å; D351-K354 PolarHBondContact OD1-N 2.82Å; D351-K354 WeakPolarHBondContact OD2-CD 3.31Å; D351-K354 WeakPolarHBondContact OD2-CG 3.47Å; D351-K354 IonicContact OD2-NZ 3.49Å; D351-K354 PolarHBondContact OD2-NZ 3.01Å; K354-C356 VanDerWaalsContact C-N 3.27Å; K354-C356 PolarHBondContact O-N 2.85Å |
| 355 | Q | 90.8 | Very high | 88.7 | Confident | 97 Ų | 97 | 52.3 Ų | 52.3 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 48.8 | -177 | -67.1 | -67.9 | -56.7 | 0 | 0 | 112.1 | W350 D351 S352 | W350-Q355 WeakPolarHBondContact CH2-O 3.39Å; W350-Q355 HydrophobicContact CZ2-CB 4.09Å; W350-Q355 WeakPolarHBondContact CZ2-O 3.39Å; D351-Q355 VanDerWaalsContact O-CA 3.28Å; D351-Q355 WeakPolarHBondContact O-CA 3.31Å; D351-Q355 PolarHBondContact O-N 3.05Å; S352-Q355 PolarHBondContact O-NE2 3.3Å |
| 356 | C | 90.4 | Very high | 88.1 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159.8 | -175.8 | 78.9 | 0 | 0 | 0 | 0 | 113.5 | D351 K354 | D351-C356 PolarHBondContact N-O 2.83Å; D351-C356 PolarHBondContact O-N 3.11Å; K354-C356 VanDerWaalsContact C-N 3.27Å; K354-C356 PolarHBondContact O-N 2.85Å |
| 357 | I | 89.1 | Confident | 87.2 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.077 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 137.3 | 177.7 | -57.3 | 171.3 | 0 | 0 | 0 | 110 | Y289 V348 W350 K443 | Y289-I357 HydrophobicContact CD1-CD1 3.71Å; Y289-I357 HydrophobicContact CE1-CD1 3.81Å; V348-I357 HydrophobicContact CB-CG2 4.21Å; V348-I357 HydrophobicContact CG2-CG1 4.3Å; V348-I357 HydrophobicContact CG2-CG2 4.19Å; W350-I357 HydrophobicContact CE3-CG1 4.13Å; W350-I357 HydrophobicContact CZ3-CG1 3.82Å; I357-K443 WeakPolarHBondContact O-CD 2.97Å; I357-K443 PolarHBondContact O-NZ 2.89Å |
| 358 | L | 86.1 | Confident | 86 | Confident | 37 Ų | 37 | 67 Ų | 67 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 153.2 | 173.2 | -71.7 | 175.3 | 0 | 0 | 0 | 111.2 | A349 D351 I362 | A349-L358 HydrophobicContact CB-CB 3.76Å; A349-L358 HydrophobicContact CB-CD1 4.4Å; A349-L358 PolarHBondContact O-N 3.06Å; D351-L358 HydrophobicContact CB-CD1 4.26Å; D351-L358 HydrophobicContact CB-CD2 3.96Å; D351-L358 HydrophobicContact CB-CG 3.98Å; L358-I362 HydrophobicContact CB-CD1 4.25Å; L358-I362 HydrophobicContact CD1-CD1 4.4Å; L358-I362 HydrophobicContact CD1-CG2 4.47Å; L358-I362 HydrophobicContact CD2-CD1 4.32Å |
| 359 | P | 82.7 | Confident | 84.7 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 142.8 | 178.7 | -25 | 34.5 | 0 | 0 | 0 | 113.5 | Q361 I362 | P359-Q361 PolarHBondContact O-N 2.65Å; P359-I362 WeakPolarHBondContact O-CB 3.44Å; P359-I362 PolarHBondContact O-N 2.92Å |
| 360 | F | 80.3 | Confident | 83.3 | Confident | 40 Ų | 40 | 77.5 Ų | 77.5 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -50.6 | -35 | -179.4 | 174.3 | -100.7 | 0 | 0 | 0 | 114 | D290 G291 E292 I362 L363 T364 | D290-F360 WeakPolarHBondContact OD2-CB 3.25Å; G291-F360 VanDerWaalsContact O-CE2 3.27Å; G291-F360 WeakPolarHBondContact O-CE2 3.45Å; E292-F360 HydrophobicContact CG-CE2 3.97Å; F360-I362 PolarHBondContact O-N 3.05Å; F360-I362 VanDerWaalsContact O-N 3.12Å; F360-L363 HydrophobicContact CD2-CD2 4.34Å; F360-L363 HydrophobicContact CE2-CD2 4.4Å; F360-L363 VanDerWaalsContact O-CB 3.3Å; F360-L363 WeakPolarHBondContact O-CB 3.33Å; F360-L363 PolarHBondContact O-N 2.7Å; F360-T364 HydrophobicContact CD1-CG2 3.94Å; F360-T364 HydrophobicContact CE1-CG2 3.39Å; F360-T364 HydrophobicContact CE2-CG2 4.31Å; F360-T364 HydrophobicContact CZ-CG2 3.6Å; F360-T364 PolarHBondContact O-N 2.74Å |
| 361 | Q | 73.9 | Confident | 82 | Confident | 121 Ų | 121 | 78 Ų | 78 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.5 | -26.3 | 177.5 | -62.7 | 82 | -2.6 | 0 | 0 | 113.1 | P359 T364 | P359-Q361 PolarHBondContact O-N 2.65Å; Q361-T364 PolarHBondContact O-OG1 2.89Å |
| 362 | I | 83.6 | Confident | 81 | Confident | 63 Ų | 63 | 81.5 Ų | 81.5 | 32% | 0.323 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72.9 | -38.4 | 175.6 | -59.5 | -172 | 0 | 0 | 0 | 110.3 | A349 L358 P359 F360 T364 T365 V378 | A349-I362 HydrophobicContact CB-CB 4.29Å; A349-I362 HydrophobicContact CB-CG2 4.27Å; L358-I362 HydrophobicContact CB-CD1 4.25Å; L358-I362 HydrophobicContact CD1-CD1 4.4Å; L358-I362 HydrophobicContact CD1-CG2 4.47Å; L358-I362 HydrophobicContact CD2-CD1 4.32Å; P359-I362 WeakPolarHBondContact O-CB 3.44Å; P359-I362 PolarHBondContact O-N 2.92Å; F360-I362 PolarHBondContact O-N 3.05Å; F360-I362 VanDerWaalsContact O-N 3.12Å; I362-T364 VanDerWaalsContact C-N 3.34Å; I362-T364 PolarHBondContact O-N 2.81Å; I362-T365 PolarHBondContact O-N 2.76Å; I362-T365 PolarHBondContact O-OG1 2.66Å; I362-V378 HydrophobicContact CG2-CB 4.46Å; I362-V378 HydrophobicContact CG2-CG1 3.8Å; I362-V378 HydrophobicContact CG2-CG2 3.8Å |
| 363 | L | 85.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 176.9 | -175.7 | 62.6 | 0 | 0 | 0 | 111.9 | E292 V347 A349 F360 T365 R366 V380 | E292-L363 HydrophobicContact CB-CD2 4.1Å; E292-L363 HydrophobicContact CG-CD2 3.78Å; E292-L363 HydrophobicContact CG-CG 4.46Å; V347-L363 HydrophobicContact CG1-CD1 4.44Å; V347-L363 WeakPolarHBondContact O-CD2 3.42Å; A349-L363 HydrophobicContact CB-CB 4.1Å; F360-L363 HydrophobicContact CD2-CD2 4.34Å; F360-L363 HydrophobicContact CE2-CD2 4.4Å; F360-L363 VanDerWaalsContact O-CB 3.3Å; F360-L363 WeakPolarHBondContact O-CB 3.33Å; F360-L363 PolarHBondContact O-N 2.7Å; L363-T365 PolarHBondContact O-N 3.08Å; L363-T365 VanDerWaalsContact O-N 3.12Å; L363-R366 WeakPolarHBondContact O-CB 3.39Å; L363-R366 PolarHBondContact O-N 2.86Å; L363-R366 VanDerWaalsContact O-N 3.09Å; L363-V380 HydrophobicContact CD1-CG1 3.53Å |
| 364 | T | 79.9 | Confident | 78.7 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 46% | 0.46 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.1 | -179.3 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | F360 Q361 I362 R366 | F360-T364 HydrophobicContact CD1-CG2 3.94Å; F360-T364 HydrophobicContact CE1-CG2 3.39Å; F360-T364 HydrophobicContact CE2-CG2 4.31Å; F360-T364 HydrophobicContact CZ-CG2 3.6Å; F360-T364 PolarHBondContact O-N 2.74Å; Q361-T364 PolarHBondContact O-OG1 2.89Å; I362-T364 VanDerWaalsContact C-N 3.34Å; I362-T364 PolarHBondContact O-N 2.81Å; T364-R366 VanDerWaalsContact C-N 3.27Å; T364-R366 PolarHBondContact O-N 2.73Å |
| 365 | T | 84.4 | Confident | 77.8 | Confident | 94 Ų | 94 | 75.6 Ų | 75.6 | 58% | 0.577 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13 | 174.8 | 72.7 | 0 | 0 | 0 | 0 | 113.9 | I362 L363 K367 | I362-T365 PolarHBondContact O-N 2.76Å; I362-T365 PolarHBondContact O-OG1 2.66Å; L363-T365 PolarHBondContact O-N 3.08Å; L363-T365 VanDerWaalsContact O-N 3.12Å; T365-K367 PolarHBondContact O-N 3.46Å |
| 366 | R | 85.3 | Confident | 77.2 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 9% | 0.087 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -66.1 | 127.7 | 176.7 | -78.4 | -170.5 | 162.9 | -150.5 | 0.7 | 111.4 | K316 D319 L363 T364 R368 V378 | K316-R366 HydrophobicContact CG-CB 4.23Å; K316-R366 PolarHBondContact O-NH1 2.93Å; D319-R366 IonicContact OD1-CZ 3.66Å; D319-R366 IonicContact OD1-NH1 3.73Å; D319-R366 PolarHBondContact OD1-NH1 3.36Å; D319-R366 VanDerWaalsContact OD1-NH1 3.1Å; D319-R366 IonicContact OD1-NH2 3.76Å; D319-R366 IonicContact OD2-CZ 3.59Å; D319-R366 IonicContact OD2-NH1 3.4Å; D319-R366 PolarHBondContact OD2-NH1 2.66Å; D319-R366 IonicContact OD2-NH2 2.75Å; D319-R366 PolarHBondContact OD2-NH2 3.5Å; L363-R366 WeakPolarHBondContact O-CB 3.39Å; L363-R366 PolarHBondContact O-N 2.86Å; L363-R366 VanDerWaalsContact O-N 3.09Å; T364-R366 VanDerWaalsContact C-N 3.27Å; T364-R366 PolarHBondContact O-N 2.73Å; R366-R368 PolarHBondContact O-N 3.43Å; R366-V378 HydrophobicContact CG-CB 4.23Å; R366-V378 HydrophobicContact CG-CG1 4.48Å; R366-V378 VanDerWaalsContact CZ-O 3.24Å; R366-V378 PolarHBondContact NE-O 2.9Å; R366-V378 PolarHBondContact NH2-O 3.49Å |
| 367 | K | 79.7 | Confident | 76.6 | Confident | 163 Ų | 163 | 81.6 Ų | 81.6 | 71% | 0.709 | 44% | 0.439 | S | S | * | . | trans | -64.4 | 130.3 | 176.6 | -67 | -176.4 | 178.1 | -178.9 | 0 | 111.2 | T365 K369 | T365-K367 PolarHBondContact O-N 3.46Å; K367-K369 VanDerWaalsContact C-N 3.28Å; K367-K369 PolarHBondContact O-N 2.85Å | ||
| 368 | R | 71.3 | Confident | 76.4 | Confident | 155 Ų | 155 | 81.7 Ų | 81.7 | 59% | 0.585 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -62.5 | -25.9 | 179 | -66.5 | -172.2 | -179 | -155.6 | 0.9 | 114.9 | E311 R366 | E311-R368 IonicContact OE1-NH1 3.65Å; E311-R368 IonicContact OE2-NH1 2.71Å; R366-R368 PolarHBondContact O-N 3.43Å |
| 369 | K | 68.3 | Low | 76.7 | Confident | 145 Ų | 145 | 82.1 Ų | 82.1 | 63% | 0.63 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -141.6 | 147.1 | -176.1 | -63.7 | 178.8 | -177.2 | 169 | 0 | 110.1 | E73 K367 | E73-K369 IonicContact OE1-NZ 3.38Å; K367-K369 VanDerWaalsContact C-N 3.28Å; K367-K369 PolarHBondContact O-N 2.85Å |
| 370 | G | 61.8 | Low | 77.3 | Confident | 76 Ų | 76 | 79.3 Ų | 79.3 | 78% | 0.784 | 43% | 0.426 | S | S | * | . | trans | 74.4 | 21.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 371 | A | 67.6 | Low | 78.1 | Confident | 33 Ų | 33 | 77.4 Ų | 77.4 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | trans | -67.3 | 137.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109 | P318 | P318-A371 HydrophobicContact CG-CB 4.18Å; P318-A371 VanDerWaalsContact CG-O 3.26Å; P318-A371 WeakPolarHBondContact CG-O 3.38Å | ||
| 372 | N | 68.8 | Low | 79.3 | Confident | 94 Ų | 94 | 71.6 Ų | 71.6 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | trans | -112.5 | 143.1 | 166.1 | -170.3 | 5.8 | 0 | 0 | 0 | 106.8 | A374 N375 | N372-A374 PolarHBondContact O-N 3.18Å; N372-N375 PolarHBondContact O-N 3.45Å | ||
| 373 | S | 65.8 | Low | 80 | Confident | 39 Ų | 39 | 69 Ų | 69 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -55.5 | -39.7 | -174.9 | 41.3 | 0 | 0 | 0 | 0 | 112.4 | E322 N375 I376 | E322-S373 WeakPolarHBondContact OE1-CB 3.38Å; E322-S373 PolarHBondContact OE1-OG 2.88Å; S373-N375 PolarHBondContact O-N 2.91Å; S373-N375 VanDerWaalsContact O-N 3.13Å; S373-I376 PolarHBondContact O-N 3.4Å |
| 374 | A | 68.4 | Low | 80.6 | Confident | 86 Ų | 86 | 69 Ų | 69 | 71% | 0.711 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -63 | -14.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N372 | N372-A374 PolarHBondContact O-N 3.18Š|
| 375 | N | 70.9 | Confident | 81.5 | Confident | 131 Ų | 131 | 66.4 Ų | 66.4 | 70% | 0.701 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -117.5 | 16.2 | -175.6 | -77.5 | -29.4 | 0 | 0 | 0 | 113.3 | N372 S373 K377 | N372-N375 PolarHBondContact O-N 3.45Å; S373-N375 PolarHBondContact O-N 2.91Å; S373-N375 VanDerWaalsContact O-N 3.13Å; N375-K377 PolarHBondContact O-N 3.4Å |
| 376 | I | 76.9 | Confident | 82.1 | Confident | 48 Ų | 48 | 62 Ų | 62 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | trans | -72.4 | 112 | 179.1 | -65.8 | 178.4 | 0 | 0 | 0 | 109.7 | D319 S373 V378 | D319-I376 HydrophobicContact CB-CD1 3.74Å; S373-I376 PolarHBondContact O-N 3.4Å; I376-V378 WeakPolarHBondContact CG2-O 3.43Å | ||
| 377 | K | 78.6 | Confident | 82.8 | Confident | 208 Ų | 208 | 60.9 Ų | 60.9 | 90% | 0.904 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -85.4 | -17.4 | 179.7 | -69.9 | -167.5 | 173.2 | -166 | 0 | 115.3 | N375 | N375-K377 PolarHBondContact O-N 3.4Š|
| 378 | V | 85.3 | Confident | 83.6 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 11% | 0.109 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -128.9 | 111.4 | -176.1 | 170.1 | 0 | 0 | 0 | 0 | 105.5 | A349 I362 R366 I376 | A349-V378 HydrophobicContact CB-CG1 3.92Å; I362-V378 HydrophobicContact CG2-CB 4.46Å; I362-V378 HydrophobicContact CG2-CG1 3.8Å; I362-V378 HydrophobicContact CG2-CG2 3.8Å; R366-V378 HydrophobicContact CG-CB 4.23Å; R366-V378 HydrophobicContact CG-CG1 4.48Å; R366-V378 VanDerWaalsContact CZ-O 3.24Å; R366-V378 PolarHBondContact NE-O 2.9Å; R366-V378 PolarHBondContact NH2-O 3.49Å; I376-V378 WeakPolarHBondContact CG2-O 3.43Å |
| 379 | T | 91.8 | Very high | 84.9 | Confident | 46 Ų | 46 | 47 Ų | 47 | 28% | 0.282 | 27% | 0.271 | S | S | . | . | trans | -69.5 | 152 | 173.3 | -49.6 | 0 | 0 | 0 | 0 | 110.2 | A349 W350 | A349-T379 WeakPolarHBondContact CA-O 3.49Å; W350-T379 PolarHBondContact N-O 3.46Å | ||
| 380 | V | 95.8 | Very high | 86.3 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153 | 170.6 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | Y317 D319 I320 V347 V348 L363 | Y317-V380 HydrophobicContact CD1-CG2 4.39Å; Y317-V380 HydrophobicContact CE1-CG2 4.5Å; D319-V380 WeakPolarHBondContact OD2-CG2 3.44Å; I320-V380 HydrophobicContact CD1-CG2 4.46Å; I320-V380 HydrophobicContact CG1-CG2 4.45Å; V347-V380 HydrophobicContact CG1-CB 3.63Å; V347-V380 HydrophobicContact CG1-CG1 3.83Å; V347-V380 HydrophobicContact CG1-CG2 3.73Å; V348-V380 CarbonylContact O-C 3.55Å; V348-V380 WeakPolarHBondContact O-CA 3.3Å; V348-V380 WeakPolarHBondContact O-CB 3.46Å; V348-V380 WeakPolarHBondContact O-CG1 3.42Å; L363-V380 HydrophobicContact CD1-CG1 3.53Å |
| 381 | C | 97.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 136 | 164.6 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | V348 W350 F383 G416 | V348-C381 HydrophobicContact CG2-CB 4.4Å; V348-C381 PolarHBondContact N-O 2.68Å; V348-C381 PolarHBondContact O-N 3.32Å; W350-C381 HydrophobicContact CB-CB 4.1Å; W350-C381 HydrophobicContact CD2-CB 3.98Å; W350-C381 HydrophobicContact CE3-CB 3.85Å; W350-C381 HydrophobicContact CG-CB 4.11Å; C381-F383 HydrophobicContact CB-CD2 4.47Å; C381-F383 HydrophobicContact CB-CE2 3.87Å; C381-F383 HydrophobicContact CB-CZ 4.37Å; C381-G416 VanDerWaalsContact SG-C 3.57Å |
| 382 | V | 98.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131.1 | 168 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | I296 I320 V347 H417 F418 M419 | I296-V382 HydrophobicContact CD1-CG1 3.77Å; I296-V382 HydrophobicContact CD1-CG2 4.42Å; I320-V382 HydrophobicContact CD1-CG2 3.66Å; I320-V382 HydrophobicContact CG1-CG2 3.82Å; I320-V382 HydrophobicContact CG2-CG2 4.38Å; V347-V382 HydrophobicContact CG2-CG2 4.37Å; V382-H417 PolarHBondContact N-O 3.08Å; V382-F418 HydrophobicContact CB-CD2 3.64Å; V382-F418 HydrophobicContact CB-CE2 3.94Å; V382-F418 HydrophobicContact CB-CG 4.23Å; V382-F418 HydrophobicContact CG1-CD2 3.84Å; V382-F418 HydrophobicContact CG1-CE2 3.57Å; V382-F418 HydrophobicContact CG1-CZ 4.16Å; V382-F418 HydrophobicContact CG2-CD2 4.06Å; V382-F418 HydrophobicContact CG2-CE2 4.45Å; V382-M419 PolarHBondContact O-N 3.11Å |
| 383 | F | 98.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 98.2 | 172.2 | -75.4 | -76.9 | 0 | 0 | 0 | 109.5 | Y289 S345 E346 V348 W350 C381 M419 T421 | Y289-F383 HydrophobicContact CD1-CB 4.45Å; Y289-F383 HydrophobicContact CD1-CD1 4.39Å; Y289-F383 AromaticContact CD1-CD2 3.59Å; Y289-F383 HydrophobicContact CD1-CD2 3.59Å; Y289-F383 AromaticContact CD1-CE2 3.88Å; Y289-F383 HydrophobicContact CD1-CE2 3.88Å; Y289-F383 AromaticContact CD1-CG 3.88Å; Y289-F383 HydrophobicContact CD1-CG 3.88Å; Y289-F383 HydrophobicContact CD1-CZ 4.4Å; Y289-F383 HydrophobicContact CD2-CB 4.22Å; Y289-F383 HydrophobicContact CD2-CG 4.4Å; Y289-F383 HydrophobicContact CE1-CB 4.31Å; Y289-F383 AromaticContact CE1-CD1 3.55Å; Y289-F383 HydrophobicContact CE1-CD1 3.55Å; Y289-F383 AromaticContact CE1-CD2 3.5Å; Y289-F383 HydrophobicContact CE1-CD2 3.5Å; Y289-F383 AromaticContact CE1-CE1 3.63Å; Y289-F383 HydrophobicContact CE1-CE1 3.63Å; Y289-F383 AromaticContact CE1-CE2 3.58Å; Y289-F383 HydrophobicContact CE1-CE2 3.58Å; Y289-F383 AromaticContact CE1-CG 3.49Å; Y289-F383 HydrophobicContact CE1-CG 3.49Å; Y289-F383 VanDerWaalsContact CE1-CG 3.49Å; Y289-F383 AromaticContact CE1-CZ 3.65Å; Y289-F383 HydrophobicContact CE1-CZ 3.65Å; Y289-F383 HydrophobicContact CE2-CB 4.13Å; Y289-F383 HydrophobicContact CE2-CD1 4.21Å; Y289-F383 HydrophobicContact CE2-CG 4.12Å; Y289-F383 HydrophobicContact CG-CB 4.43Å; Y289-F383 HydrophobicContact CG-CD2 4.27Å; Y289-F383 HydrophobicContact CG-CG 4.33Å; Y289-F383 AromaticContact CZ-CD1 3.45Å; Y289-F383 VanDerWaalsContact CZ-CD1 3.45Å; Y289-F383 AromaticContact CZ-CE1 3.82Å; Y289-F383 AromaticContact CZ-CG 3.64Å; Y289-F383 WeakPolarHBondContact OH-CD1 3.14Å; S345-F383 CarbonylContact C-O 3.53Å; S345-F383 VanDerWaalsContact CA-O 3.26Å; S345-F383 WeakPolarHBondContact CA-O 3.33Å; S345-F383 WeakPolarHBondContact CB-O 3.18Å; E346-F383 PolarHBondContact N-O 3.35Å; E346-F383 PolarHBondContact O-N 3.24Å; V348-F383 HydrophobicContact CG2-CD2 3.8Å; V348-F383 HydrophobicContact CG2-CE2 3.52Å; W350-F383 HydrophobicContact CE3-CE2 4.48Å; W350-F383 HydrophobicContact CZ3-CE2 4.29Å; W350-F383 AromaticContact CZ3-CZ 3.92Å; W350-F383 HydrophobicContact CZ3-CZ 3.92Å; C381-F383 HydrophobicContact CB-CD2 4.47Å; C381-F383 HydrophobicContact CB-CE2 3.87Å; C381-F383 HydrophobicContact CB-CZ 4.37Å; F383-M419 CarbonylContact C-O 3.47Å; F383-M419 VanDerWaalsContact CA-O 3.31Å; F383-M419 WeakPolarHBondContact CA-O 3.02Å; F383-M419 HydrophobicContact CD1-CB 3.99Å; F383-M419 HydrophobicContact CE1-CB 3.77Å; F383-M419 HydrophobicContact CE1-SD 4.18Å; F383-M419 HydrophobicContact CZ-SD 4.33Å; F383-T421 HydrophobicContact CB-CG2 3.98Å |
| 384 | A | 98.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I343 L407 F418 M419 F420 T421 | I343-A384 HydrophobicContact CG2-CB 3.75Å; A384-L407 HydrophobicContact CB-CD1 4.5Å; A384-L407 HydrophobicContact CB-CD2 4.18Å; A384-F418 HydrophobicContact CB-CE1 3.65Å; A384-F418 HydrophobicContact CB-CZ 3.69Å; A384-M419 PolarHBondContact N-O 2.96Å; A384-F420 WeakPolarHBondContact O-CA 3.37Å; A384-T421 PolarHBondContact O-N 3.36Å |
| 385 | F | 97.9 | Very high | 93.2 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 9% | 0.092 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | -8.3 | -174.8 | 60 | -109.4 | 0 | 0 | 0 | 115.7 | R293 D344 S345 E346 F400 T421 K450 W467 | R293-F385 HydrophobicContact CG-CZ 4.42Å; D344-F385 HydrophobicContact CB-CD2 4.26Å; D344-F385 HydrophobicContact CB-CE2 3.65Å; D344-F385 HydrophobicContact CB-CZ 4.09Å; D344-F385 PolarHBondContact O-N 3.49Å; D344-F385 VanDerWaalsContact OD1-CZ 3.32Å; D344-F385 WeakPolarHBondContact OD1-CZ 3.35Å; S345-F385 VanDerWaalsContact CA-CE1 3.47Å; E346-F385 HydrophobicContact CB-CE1 4.42Å; F385-F400 VanDerWaalsContact O-CE2 3.23Å; F385-F400 WeakPolarHBondContact O-CE2 3.32Å; F385-T421 HydrophobicContact CB-CG2 3.63Å; F385-T421 HydrophobicContact CD1-CG2 4.19Å; F385-T421 HydrophobicContact CG-CG2 4.42Å; F385-K450 PolarHBondContact O-NZ 3.44Å; F385-W467 HydrophobicContact CD2-CH2 4.05Å; F385-W467 AromaticContact CE2-CH2 3.73Å; F385-W467 HydrophobicContact CE2-CH2 3.73Å; F385-W467 HydrophobicContact CE2-CZ3 4.14Å |
| 386 | D | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 161 | 172.4 | -144.8 | -32.1 | 0 | 0 | 0 | 111.8 | D344 L388 F400 R403 Y458 W467 | D344-D386 HydrophobicContact CB-CB 4Å; D344-D386 PolarHBondContact N-O 3.19Å; D344-D386 PolarHBondContact O-N 3.07Å; D386-L388 HydrophobicContact CB-CD2 4.28Å; D386-F400 HydrophobicContact CB-CE2 4.45Å; D386-R403 VanDerWaalsContact OD1-CB 3.31Å; D386-R403 WeakPolarHBondContact OD1-CB 3.41Å; D386-R403 IonicContact OD1-CZ 2.89Å; D386-R403 IonicContact OD1-NE 3.6Å; D386-R403 PolarHBondContact OD1-NE 3.49Å; D386-R403 IonicContact OD1-NH2 3.5Å; D386-R403 IonicContact OD2-CZ 3.85Å; D386-R403 IonicContact OD2-NE 3.16Å; D386-R403 PolarHBondContact OD2-NE 2.75Å; D386-R403 IonicContact OD2-NH2 3.97Å; D386-R403 PolarHBondContact OD2-NH2 2.88Å; D386-Y458 WeakPolarHBondContact OD2-CD2 3.3Å; D386-W467 WeakPolarHBondContact OD2-CZ2 3.41Å |
| 387 | L | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 119.7 | 175.7 | -176.7 | 70.9 | 0 | 0 | 0 | 108.8 | C341 I343 L390 I395 R403 R406 L407 I410 | C341-L387 HydrophobicContact CB-CD1 4.11Å; I343-L387 HydrophobicContact CG1-CD1 3.95Å; L387-L390 HydrophobicContact CD2-CB 4.32Å; L387-L390 HydrophobicContact CD2-CD2 4.33Å; L387-I395 HydrophobicContact CB-CD1 4.17Å; L387-I395 HydrophobicContact CD2-CD1 3.73Å; L387-I395 HydrophobicContact CG-CD1 3.8Å; L387-I395 WeakPolarHBondContact O-CD1 2.73Å; L387-I395 WeakPolarHBondContact O-CG1 3.31Å; L387-R403 WeakPolarHBondContact O-CD 3.36Å; L387-R406 HydrophobicContact CD2-CB 3.78Å; L387-L407 HydrophobicContact CB-CB 3.98Å; L387-L407 HydrophobicContact CB-CD1 4.24Å; L387-L407 HydrophobicContact CD1-CD1 4.37Å; L387-I410 HydrophobicContact CD1-CD1 3.72Å; L387-I410 HydrophobicContact CD2-CD1 3.77Å; L387-I410 HydrophobicContact CG-CD1 4.44Å |
| 388 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -22.2 | -170.6 | -48.8 | -175.6 | 0 | 0 | 0 | 112.7 | I260 I342 D344 D386 I395 T396 Y458 | I260-L388 HydrophobicContact CD1-CB 3.99Å; I260-L388 HydrophobicContact CD1-CD1 3.9Å; I342-L388 HydrophobicContact CB-CB 4.32Å; I342-L388 HydrophobicContact CG2-CB 4.2Å; I342-L388 HydrophobicContact CG2-CD1 4.26Å; I342-L388 HydrophobicContact CG2-CG 4.5Å; I342-L388 PolarHBondContact O-N 2.94Å; D344-L388 HydrophobicContact CB-CD1 4.3Å; D344-L388 HydrophobicContact CB-CG 4.41Å; D386-L388 HydrophobicContact CB-CD2 4.28Å; L388-I395 PolarHBondContact O-N 3.3Å; L388-T396 HydrophobicContact CB-CG2 4.06Å; L388-T396 HydrophobicContact CD2-CG2 4.3Å; L388-Y458 HydrophobicContact CD1-CE1 4.09Å; L388-Y458 HydrophobicContact CD1-CE2 4.32Å; L388-Y458 HydrophobicContact CD2-CD1 4Å; L388-Y458 HydrophobicContact CD2-CD2 3.41Å; L388-Y458 VanDerWaalsContact CD2-CD2 3.41Å; L388-Y458 HydrophobicContact CD2-CE1 4.03Å; L388-Y458 HydrophobicContact CD2-CE2 3.42Å; L388-Y458 VanDerWaalsContact CD2-CE2 3.42Å; L388-Y458 HydrophobicContact CD2-CG 3.69Å |
| 389 | Y | 98.3 | Very high | 96.8 | Very high | 28 Ų | 28 | 27.9 Ų | 27.9 | 11% | 0.11 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 143.8 | -177.2 | -177.3 | -80.8 | 0 | 0 | 0 | 110.5 | I254 P256 C341 I342 G392 V393 | I254-Y389 HydrophobicContact CB-CD2 4.36Å; I254-Y389 HydrophobicContact CG2-CD2 3.7Å; I254-Y389 HydrophobicContact CG2-CG 4.29Å; P256-Y389 HydrophobicContact CG-CD1 3.65Å; P256-Y389 HydrophobicContact CG-CE1 3.26Å; P256-Y389 HydrophobicContact CG-CE2 4.21Å; P256-Y389 HydrophobicContact CG-CG 4.28Å; C341-Y389 VanDerWaalsContact CA-O 3.24Å; C341-Y389 WeakPolarHBondContact CA-O 3.33Å; I342-Y389 HydrophobicContact CD1-CG 4.14Å; I342-Y389 HydrophobicContact CG1-CG 4.36Å; I342-Y389 PolarHBondContact N-O 3.15Å; I342-Y389 VanDerWaalsContact N-O 3.07Å; Y389-G392 WeakPolarHBondContact OH-CA 3.48Å; Y389-G392 PolarHBondContact OH-N 3.3Å; Y389-V393 CarbonylContact C-O 3.57Å; Y389-V393 WeakPolarHBondContact CA-O 3.21Å; Y389-V393 WeakPolarHBondContact CD2-O 3.47Å |
| 390 | L | 96.9 | Very high | 97.1 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 128.1 | 174.2 | -177.5 | 59.1 | 0 | 0 | 0 | 110.7 | V338 C341 L387 G392 V393 I410 | V338-L390 HydrophobicContact CG1-CD1 3.93Å; V338-L390 HydrophobicContact CG2-CD1 4.44Å; C341-L390 HydrophobicContact CB-CD1 4.24Å; L387-L390 HydrophobicContact CD2-CB 4.32Å; L387-L390 HydrophobicContact CD2-CD2 4.33Å; L390-G392 PolarHBondContact O-N 3.4Å; L390-V393 PolarHBondContact N-O 3.14Å; L390-V393 PolarHBondContact O-N 2.77Å; L390-I410 HydrophobicContact CD1-CD1 3.92Å; L390-I410 HydrophobicContact CD1-CG2 4.2Å; L390-I410 HydrophobicContact CD2-CG2 4.18Å |
| 391 | D | 94.7 | Very high | 97.2 | Very high | 69 Ų | 69 | 28.1 Ų | 28.1 | 37% | 0.369 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.1 | 54.9 | 167 | -68.6 | -31.5 | 0 | 0 | 0 | 115.9 | T339 S340 | T339-D391 WeakPolarHBondContact CA-OD1 3.3Å; T339-D391 WeakPolarHBondContact CB-OD1 3.4Å; T339-D391 PolarHBondContact N-OD1 2.71Å; T339-D391 PolarHBondContact OG1-OD1 3.38Å; S340-D391 PolarHBondContact N-OD1 3.27Å; S340-D391 PolarHBondContact O-N 3.46Å |
| 392 | G | 94.3 | Very high | 97.2 | Very high | 53 Ų | 53 | 32 Ų | 32 | 55% | 0.546 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -12.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y389 L390 | Y389-G392 WeakPolarHBondContact OH-CA 3.48Å; Y389-G392 PolarHBondContact OH-N 3.3Å; L390-G392 PolarHBondContact O-N 3.4Å |
| 393 | V | 95.2 | Very high | 97.2 | Very high | 88 Ų | 88 | 32 Ų | 32 | 53% | 0.533 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.5 | -170.3 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | Y389 L390 I395 | Y389-V393 CarbonylContact C-O 3.57Å; Y389-V393 WeakPolarHBondContact CA-O 3.21Å; Y389-V393 WeakPolarHBondContact CD2-O 3.47Å; L390-V393 PolarHBondContact N-O 3.14Å; L390-V393 PolarHBondContact O-N 2.77Å; V393-I395 HydrophobicContact CB-CG2 4.43Å; V393-I395 HydrophobicContact CG1-CG2 4.03Å |
| 394 | G | 95.9 | Very high | 97.2 | Very high | 30 Ų | 30 | 32.5 Ų | 32.5 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 123.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 395 | I | 97.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | trans | -110.3 | 12.5 | -172.6 | 64.7 | 171.3 | 0 | 0 | 0 | 113.4 | L387 L388 V393 S397 L398 R403 | L387-I395 HydrophobicContact CB-CD1 4.17Å; L387-I395 HydrophobicContact CD2-CD1 3.73Å; L387-I395 HydrophobicContact CG-CD1 3.8Å; L387-I395 WeakPolarHBondContact O-CD1 2.73Å; L387-I395 WeakPolarHBondContact O-CG1 3.31Å; L388-I395 PolarHBondContact O-N 3.3Å; V393-I395 HydrophobicContact CB-CG2 4.43Å; V393-I395 HydrophobicContact CG1-CG2 4.03Å; I395-S397 PolarHBondContact O-N 3.11Å; I395-S397 VanDerWaalsContact O-N 3.13Å; I395-L398 HydrophobicContact CB-CD1 3.84Å; I395-L398 HydrophobicContact CB-CG 4.06Å; I395-L398 HydrophobicContact CG2-CD1 4.09Å; I395-L398 VanDerWaalsContact O-CB 3.32Å; I395-L398 WeakPolarHBondContact O-CB 2.86Å; I395-L398 PolarHBondContact O-N 3.13Å; I395-R403 HydrophobicContact CD1-CG 4.16Å; I395-R403 HydrophobicContact CG1-CG 4.25Å; I395-R403 WeakPolarHBondContact O-CD 3.24Å | ||
| 396 | T | 96.3 | Very high | 97 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 13% | 0.129 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.1 | 178.9 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | I254 L388 Y458 I460 | I254-T396 HydrophobicContact CD1-CG2 3.66Å; L388-T396 HydrophobicContact CB-CG2 4.06Å; L388-T396 HydrophobicContact CD2-CG2 4.3Å; T396-Y458 HydrophobicContact CG2-CD1 3.98Å; T396-Y458 HydrophobicContact CG2-CG 4.24Å; T396-Y458 PolarHBondContact O-N 2.99Å; T396-I460 HydrophobicContact CG2-CD1 4.28Å; T396-I460 HydrophobicContact CG2-CG1 4.47Å |
| 397 | S | 95.3 | Very high | 97 | Very high | 98 Ų | 98 | 40.7 Ų | 40.7 | 69% | 0.685 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.4 | 174.1 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | I395 | I395-S397 PolarHBondContact O-N 3.11Å; I395-S397 VanDerWaalsContact O-N 3.13Å |
| 398 | L | 98.1 | Very high | 96.9 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -71.6 | 162.5 | 173.6 | -60.2 | -170.7 | 0 | 0 | 0 | 110.9 | I395 Q402 R403 | I395-L398 HydrophobicContact CB-CD1 3.84Å; I395-L398 HydrophobicContact CB-CG 4.06Å; I395-L398 HydrophobicContact CG2-CD1 4.09Å; I395-L398 VanDerWaalsContact O-CB 3.32Å; I395-L398 WeakPolarHBondContact O-CB 2.86Å; I395-L398 PolarHBondContact O-N 3.13Å; L398-Q402 HydrophobicContact CB-CB 4.1Å; L398-Q402 HydrophobicContact CD1-CB 4.33Å; L398-R403 HydrophobicContact CB-CG 4.02Å; L398-R403 PolarHBondContact O-NH1 3.48Å |
| 399 | T | 97.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.202 | 27% | 0.268 | C | S | . | . | trans | -67.8 | 158 | 174.8 | 71 | 0 | 0 | 0 | 0 | 111.8 | R401 Q402 R403 L452 D453 | T399-R401 VanDerWaalsContact C-N 3.26Å; T399-R401 PolarHBondContact O-N 2.97Å; T399-Q402 PolarHBondContact O-N 3.23Å; T399-Q402 WeakPolarHBondContact OG1-CG 3.17Å; T399-Q402 PolarHBondContact OG1-N 3.2Å; T399-Q402 PolarHBondContact OG1-OE1 3.02Å; T399-R403 WeakPolarHBondContact O-CG 3.46Å; T399-R403 PolarHBondContact O-N 2.88Å; T399-L452 WeakPolarHBondContact CB-O 3.38Å; T399-D453 WeakPolarHBondContact CG2-O 3.46Å | ||
| 400 | F | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 178.4 | 179.9 | -122.8 | 0 | 0 | 0 | 111.6 | A284 E286 F385 D386 Q402 R403 R404 K450 T451 L452 A456 | A284-F400 HydrophobicContact CB-CD1 4.42Å; A284-F400 HydrophobicContact CB-CE1 3.88Å; E286-F400 WeakPolarHBondContact OE1-CZ 3.37Å; F385-F400 VanDerWaalsContact O-CE2 3.23Å; F385-F400 WeakPolarHBondContact O-CE2 3.32Å; D386-F400 HydrophobicContact CB-CE2 4.45Å; F400-Q402 PolarHBondContact O-N 2.76Å; F400-R403 PolarHBondContact O-N 2.52Å; F400-R404 HydrophobicContact CE2-CB 4.47Å; F400-R404 HydrophobicContact CZ-CB 4.45Å; F400-R404 VanDerWaalsContact O-CB 3.24Å; F400-R404 WeakPolarHBondContact O-CB 3.43Å; F400-R404 PolarHBondContact O-N 3.39Å; F400-K450 HydrophobicContact CD1-CB 3.81Å; F400-K450 HydrophobicContact CD1-CD 4.03Å; F400-K450 HydrophobicContact CD2-CD 4.5Å; F400-K450 HydrophobicContact CE1-CB 3.82Å; F400-K450 HydrophobicContact CE1-CD 3.43Å; F400-K450 VanDerWaalsContact CE1-CD 3.43Å; F400-K450 HydrophobicContact CE1-CG 4.29Å; F400-K450 HydrophobicContact CE2-CD 3.97Å; F400-K450 HydrophobicContact CZ-CD 3.4Å; F400-T451 WeakPolarHBondContact CB-O 3.29Å; F400-L452 HydrophobicContact CD1-CD2 3.9Å; F400-L452 HydrophobicContact CE1-CD2 4.41Å; F400-L452 PolarHBondContact N-O 3.17Å; F400-L452 VanDerWaalsContact N-O 3.09Å; F400-A456 HydrophobicContact CB-CB 4Å; F400-A456 PolarHBondContact N-O 2.85Å |
| 401 | R | 97.9 | Very high | 96.5 | Very high | 56 Ų | 56 | 48 Ų | 48 | 21% | 0.211 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54 | -53.8 | 172.6 | -171.2 | -176.5 | -54 | -88.1 | -2.9 | 111.4 | E282 T399 R403 R404 E405 L452 D453 | E282-R401 IonicContact OE2-CZ 3.67Å; E282-R401 IonicContact OE2-NH1 3.08Å; E282-R401 PolarHBondContact OE2-NH1 3.26Å; E282-R401 IonicContact OE2-NH2 2.77Å; E282-R401 PolarHBondContact OE2-NH2 3.16Å; T399-R401 VanDerWaalsContact C-N 3.26Å; T399-R401 PolarHBondContact O-N 2.97Å; R401-R403 PolarHBondContact O-N 3.29Å; R401-R404 PolarHBondContact O-N 2.94Å; R401-E405 VanDerWaalsContact CG-OE1 3.31Å; R401-E405 WeakPolarHBondContact CG-OE1 3.14Å; R401-E405 WeakPolarHBondContact O-CG 3.5Å; R401-E405 PolarHBondContact O-N 3.1Å; R401-L452 HydrophobicContact CB-CB 4.32Å; R401-L452 HydrophobicContact CB-CD2 3.95Å; R401-L452 HydrophobicContact CG-CD2 4.44Å; R401-L452 PolarHBondContact N-O 3.47Å; R401-D453 WeakPolarHBondContact CB-OD1 3.46Å; R401-D453 IonicContact CZ-OD1 3.17Å; R401-D453 IonicContact CZ-OD2 2.88Å; R401-D453 IonicContact NE-OD1 2.75Å; R401-D453 PolarHBondContact NE-OD1 3.08Å; R401-D453 IonicContact NE-OD2 2.63Å; R401-D453 PolarHBondContact NE-OD2 3.47Å; R401-D453 VanDerWaalsContact NE-OD2 3.16Å; R401-D453 IonicContact NH2-OD1 2.67Å; R401-D453 IonicContact NH2-OD2 2.9Å; R401-D453 PolarHBondContact NH2-OD2 3.04Å |
| 402 | Q | 98.2 | Very high | 96.6 | Very high | 81 Ų | 81 | 51.9 Ų | 51.9 | 38% | 0.379 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 179.5 | -70.9 | 169.5 | -30.3 | 0 | 0 | 112.2 | L398 T399 F400 E405 R406 | L398-Q402 HydrophobicContact CB-CB 4.1Å; L398-Q402 HydrophobicContact CD1-CB 4.33Å; T399-Q402 PolarHBondContact O-N 3.23Å; T399-Q402 WeakPolarHBondContact OG1-CG 3.17Å; T399-Q402 PolarHBondContact OG1-N 3.2Å; T399-Q402 PolarHBondContact OG1-OE1 3.02Å; F400-Q402 PolarHBondContact O-N 2.76Å; Q402-E405 PolarHBondContact O-N 3.08Å; Q402-R406 WeakPolarHBondContact O-CG 3.36Å; Q402-R406 PolarHBondContact O-N 2.88Å |
| 403 | R | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 177.8 | -60.7 | -172 | -42 | -94.6 | 3.6 | 112 | D386 L387 I395 L398 T399 F400 R401 R406 L407 A456 | D386-R403 VanDerWaalsContact OD1-CB 3.31Å; D386-R403 WeakPolarHBondContact OD1-CB 3.41Å; D386-R403 IonicContact OD1-CZ 2.89Å; D386-R403 IonicContact OD1-NE 3.6Å; D386-R403 PolarHBondContact OD1-NE 3.49Å; D386-R403 IonicContact OD1-NH2 3.5Å; D386-R403 IonicContact OD2-CZ 3.85Å; D386-R403 IonicContact OD2-NE 3.16Å; D386-R403 PolarHBondContact OD2-NE 2.75Å; D386-R403 IonicContact OD2-NH2 3.97Å; D386-R403 PolarHBondContact OD2-NH2 2.88Å; L387-R403 WeakPolarHBondContact O-CD 3.36Å; I395-R403 HydrophobicContact CD1-CG 4.16Å; I395-R403 HydrophobicContact CG1-CG 4.25Å; I395-R403 WeakPolarHBondContact O-CD 3.24Å; L398-R403 HydrophobicContact CB-CG 4.02Å; L398-R403 PolarHBondContact O-NH1 3.48Å; T399-R403 WeakPolarHBondContact O-CG 3.46Å; T399-R403 PolarHBondContact O-N 2.88Å; F400-R403 PolarHBondContact O-N 2.52Å; R401-R403 PolarHBondContact O-N 3.29Å; R403-R406 PolarHBondContact O-N 2.91Å; R403-L407 WeakPolarHBondContact O-CB 3.47Å; R403-L407 PolarHBondContact O-N 3.47Å; R403-A456 PolarHBondContact NH1-O 2.81Å |
| 404 | R | 97.7 | Very high | 96.8 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | 176 | -172.7 | 175.2 | 73 | 165.4 | 1.9 | 112.5 | F400 R401 R408 T425 | F400-R404 HydrophobicContact CE2-CB 4.47Å; F400-R404 HydrophobicContact CZ-CB 4.45Å; F400-R404 VanDerWaalsContact O-CB 3.24Å; F400-R404 WeakPolarHBondContact O-CB 3.43Å; F400-R404 PolarHBondContact O-N 3.39Å; R401-R404 PolarHBondContact O-N 2.94Å; R404-R408 WeakPolarHBondContact O-CG 3.4Å; R404-R408 PolarHBondContact O-N 3.33Å; R404-T425 PolarHBondContact NH1-OG1 3.42Å; R404-T425 VanDerWaalsContact NH1-OG1 3.1Å; R404-T425 PolarHBondContact NH2-OG1 2.82Å |
| 405 | E | 96.8 | Very high | 96.8 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 43% | 0.425 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64 | -52.1 | 172.6 | -73.7 | 161.3 | 177.4 | 0 | 0 | 110.7 | R401 Q402 L407 R408 E409 | R401-E405 VanDerWaalsContact CG-OE1 3.31Å; R401-E405 WeakPolarHBondContact CG-OE1 3.14Å; R401-E405 WeakPolarHBondContact O-CG 3.5Å; R401-E405 PolarHBondContact O-N 3.1Å; Q402-E405 PolarHBondContact O-N 3.08Å; E405-L407 VanDerWaalsContact C-N 3.26Å; E405-L407 PolarHBondContact O-N 2.96Å; E405-R408 PolarHBondContact O-N 2.76Å; E405-E409 WeakPolarHBondContact O-CG 3.34Å; E405-E409 PolarHBondContact O-N 3.12Å |
| 406 | R | 96.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 53.8 Ų | 53.8 | 38% | 0.381 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.5 | -31.9 | 176 | -63.5 | -51.2 | 177.9 | 72.2 | 4.2 | 113.8 | L387 Q402 R403 E409 I410 | L387-R406 HydrophobicContact CD2-CB 3.78Å; Q402-R406 WeakPolarHBondContact O-CG 3.36Å; Q402-R406 PolarHBondContact O-N 2.88Å; R403-R406 PolarHBondContact O-N 2.91Å; R406-E409 VanDerWaalsContact CD-CD 3.48Å; R406-E409 WeakPolarHBondContact CD-OE1 3.29Å; R406-E409 WeakPolarHBondContact CD-OE2 3.49Å; R406-E409 IonicContact NE-OE1 3.67Å; R406-E409 IonicContact NE-OE2 3.63Å; R406-I410 WeakPolarHBondContact O-CG1 3.45Å; R406-I410 PolarHBondContact O-N 2.85Å |
| 407 | L | 97.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 173 | -178.5 | 59.5 | 0 | 0 | 0 | 111.8 | I343 A384 L387 R403 E405 I411 F420 | I343-L407 HydrophobicContact CG1-CD1 4.18Å; I343-L407 HydrophobicContact CG2-CD1 4.03Å; A384-L407 HydrophobicContact CB-CD1 4.5Å; A384-L407 HydrophobicContact CB-CD2 4.18Å; L387-L407 HydrophobicContact CB-CB 3.98Å; L387-L407 HydrophobicContact CB-CD1 4.24Å; L387-L407 HydrophobicContact CD1-CD1 4.37Å; R403-L407 WeakPolarHBondContact O-CB 3.47Å; R403-L407 PolarHBondContact O-N 3.47Å; E405-L407 VanDerWaalsContact C-N 3.26Å; E405-L407 PolarHBondContact O-N 2.96Å; L407-I411 HydrophobicContact CD1-CG1 4.14Å; L407-I411 WeakPolarHBondContact O-CB 3.44Å; L407-I411 PolarHBondContact O-N 2.96Å; L407-F420 HydrophobicContact CD2-CD1 4.33Å; L407-F420 HydrophobicContact CD2-CE1 4.48Å; L407-F420 HydrophobicContact CG-CD1 4.32Å; L407-F420 HydrophobicContact CG-CE1 3.98Å |
| 408 | R | 96 | Very high | 96.8 | Very high | 109 Ų | 109 | 52.1 Ų | 52.1 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.5 | -35.1 | 178.5 | -71.1 | 171.9 | 177.5 | 177.2 | -1.5 | 112.6 | R404 E405 I410 F420 S423 | R404-R408 WeakPolarHBondContact O-CG 3.4Å; R404-R408 PolarHBondContact O-N 3.33Å; E405-R408 PolarHBondContact O-N 2.76Å; R408-I410 PolarHBondContact O-N 3.33Å; R408-F420 HydrophobicContact CB-CZ 4.25Å; R408-F420 HydrophobicContact CG-CD1 4.49Å; R408-F420 HydrophobicContact CG-CD2 4.35Å; R408-F420 HydrophobicContact CG-CE1 4.14Å; R408-F420 HydrophobicContact CG-CE2 3.97Å; R408-F420 HydrophobicContact CG-CZ 3.86Å; R408-S423 PolarHBondContact NH2-OG 3.44Å |
| 409 | E | 94.6 | Very high | 96.8 | Very high | 88 Ų | 88 | 52.1 Ų | 52.1 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.8 | -29 | 174.6 | -72.5 | 170.1 | -156.8 | 0 | 0 | 113.6 | P331 E405 R406 | P331-E409 HydrophobicContact CB-CB 4.48Å; P331-E409 HydrophobicContact CG-CB 4.47Å; E405-E409 WeakPolarHBondContact O-CG 3.34Å; E405-E409 PolarHBondContact O-N 3.12Å; R406-E409 VanDerWaalsContact CD-CD 3.48Å; R406-E409 WeakPolarHBondContact CD-OE1 3.29Å; R406-E409 WeakPolarHBondContact CD-OE2 3.49Å; R406-E409 IonicContact NE-OE1 3.67Å; R406-E409 IonicContact NE-OE2 3.63Å |
| 410 | I | 95 | Very high | 96.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -107.4 | -3.8 | -173.1 | 72.9 | 177.3 | 0 | 0 | 0 | 114.6 | L328 V329 P331 V338 C341 L387 L390 R406 R408 | L328-I410 WeakPolarHBondContact CA-O 3.34Å; V329-I410 PolarHBondContact N-O 3.09Å; P331-I410 HydrophobicContact CG-CG2 3.98Å; V338-I410 HydrophobicContact CG2-CB 3.95Å; V338-I410 HydrophobicContact CG2-CG2 3.9Å; C341-I410 HydrophobicContact CB-CD1 4.2Å; L387-I410 HydrophobicContact CD1-CD1 3.72Å; L387-I410 HydrophobicContact CD2-CD1 3.77Å; L387-I410 HydrophobicContact CG-CD1 4.44Å; L390-I410 HydrophobicContact CD1-CD1 3.92Å; L390-I410 HydrophobicContact CD1-CG2 4.2Å; L390-I410 HydrophobicContact CD2-CG2 4.18Å; R406-I410 WeakPolarHBondContact O-CG1 3.45Å; R406-I410 PolarHBondContact O-N 2.85Å; R408-I410 PolarHBondContact O-N 3.33Å |
| 411 | I | 95.8 | Very high | 96.8 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -124.6 | 128.6 | -177 | -67 | -63 | 0 | 0 | 0 | 111.2 | V327 L328 I343 L407 F418 F420 | V327-I411 HydrophobicContact CG2-CD1 4.07Å; V327-I411 WeakPolarHBondContact O-CA 3.49Å; L328-I411 HydrophobicContact CD2-CD1 3.84Å; L328-I411 HydrophobicContact CG-CD1 4.42Å; I343-I411 HydrophobicContact CD1-CD1 3.93Å; I343-I411 HydrophobicContact CD1-CG1 4.44Å; L407-I411 HydrophobicContact CD1-CG1 4.14Å; L407-I411 WeakPolarHBondContact O-CB 3.44Å; L407-I411 PolarHBondContact O-N 2.96Å; I411-F418 HydrophobicContact CD1-CE1 4.13Å; I411-F418 HydrophobicContact CD1-CZ 4.23Å; I411-F418 HydrophobicContact CG1-CE1 4.2Å; I411-F418 HydrophobicContact CG2-CD1 3.77Å; I411-F418 HydrophobicContact CG2-CE1 3.62Å; I411-F420 HydrophobicContact CB-CE1 3.79Å; I411-F420 HydrophobicContact CB-CZ 3.7Å; I411-F420 HydrophobicContact CG1-CE1 4.42Å; I411-F420 HydrophobicContact CG2-CE1 3.73Å; I411-F420 HydrophobicContact CG2-CZ 3.63Å |
| 412 | R | 96 | Very high | 96.7 | Very high | 150 Ų | 150 | 53.7 Ų | 53.7 | 57% | 0.566 | 25% | 0.245 | S | C | * | . | trans | -96.6 | 122.1 | 160.3 | 176.5 | -175.7 | 62.1 | 177.2 | -5.2 | 109.8 | K326 V327 V329 | K326-R412 PolarHBondContact O-NH2 2.85Å; V327-R412 WeakPolarHBondContact CB-O 3.38Å; V327-R412 PolarHBondContact O-N 2.97Å; V329-R412 HydrophobicContact CG1-CB 3.71Å | ||
| 413 | E | 97.1 | Very high | 96.6 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | trans | -62.1 | 145.8 | 175 | -62.5 | -170.3 | 97.9 | 0 | 0 | 112.5 | F418 M419 F420 | E413-F418 CarbonylContact C-O 2.97Å; E413-F418 WeakPolarHBondContact CA-O 3.34Å; E413-M419 WeakPolarHBondContact OE1-CA 3.44Å; E413-M419 WeakPolarHBondContact OE1-CB 3.23Å; E413-F420 HydrophobicContact CG-CD2 3.55Å; E413-F420 HydrophobicContact CG-CE2 3.54Å; E413-F420 HydrophobicContact CG-CG 4.37Å; E413-F420 HydrophobicContact CG-CZ 4.33Å; E413-F420 PolarHBondContact OE1-N 3.39Å | ||
| 414 | V | 96.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 53.4 Ų | 53.4 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -128.6 | 103.6 | 170.4 | 177.7 | 0 | 0 | 0 | 0 | 106.7 | V327 G416 H417 F418 | V327-V414 HydrophobicContact CG1-CB 4.44Å; V327-V414 HydrophobicContact CG1-CG2 3.76Å; V414-G416 PolarHBondContact O-N 2.92Å; V414-H417 HydrophobicContact CB-CB 4.29Å; V414-H417 HydrophobicContact CG1-CB 3.94Å; V414-H417 PolarHBondContact O-N 3.4Å; V414-F418 CarbonylContact C-O 3.58Å; V414-F418 PolarHBondContact N-O 3.38Å; V414-F418 PolarHBondContact O-N 2.94Å |
| 415 | P | 95.8 | Very high | 96.3 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 57% | 0.571 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 133.3 | -174.8 | -32.1 | 36.8 | 0 | 0 | 0 | 113.6 | H417 | P415-H417 PolarHBondContact O-N 3.19Å; P415-H417 PolarHBondContact O-ND1 3.12Å |
| 416 | G | 94.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 4.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | W350 C381 V414 | W350-G416 VanDerWaalsContact CE2-CA 3.43Å; W350-G416 VanDerWaalsContact NE1-CA 3.31Å; C381-G416 VanDerWaalsContact SG-C 3.57Å; V414-G416 PolarHBondContact O-N 2.92Å |
| 417 | H | 96.3 | Very high | 95.1 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 39% | 0.389 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -51.2 | 179.9 | -60.3 | 79 | 0 | 0 | 0 | 112.3 | L323 V382 V414 P415 | L323-H417 HydrophobicContact CD1-CB 4.39Å; L323-H417 HydrophobicContact CD2-CB 3.75Å; V382-H417 PolarHBondContact N-O 3.08Å; V414-H417 HydrophobicContact CB-CB 4.29Å; V414-H417 HydrophobicContact CG1-CB 3.94Å; V414-H417 PolarHBondContact O-N 3.4Å; P415-H417 PolarHBondContact O-N 3.19Å; P415-H417 PolarHBondContact O-ND1 3.12Å |
| 418 | F | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 117.5 | 174.8 | -161.2 | -73.1 | 0 | 0 | 0 | 109.5 | I296 L323 I324 V327 I343 V382 A384 I411 E413 V414 | I296-F418 HydrophobicContact CD1-CE2 4.35Å; L323-F418 HydrophobicContact CD2-CB 3.95Å; I324-F418 HydrophobicContact CD1-CD2 3.95Å; I324-F418 HydrophobicContact CD1-CE2 3.46Å; I324-F418 VanDerWaalsContact CD1-CE2 3.46Å; I324-F418 HydrophobicContact CD1-CZ 4.39Å; V327-F418 HydrophobicContact CG1-CB 3.99Å; V327-F418 HydrophobicContact CG1-CG 4.41Å; V327-F418 HydrophobicContact CG2-CD2 4.17Å; V327-F418 HydrophobicContact CG2-CG 4.18Å; I343-F418 HydrophobicContact CD1-CZ 4.27Å; I343-F418 HydrophobicContact CG2-CZ 4.46Å; V382-F418 HydrophobicContact CB-CD2 3.64Å; V382-F418 HydrophobicContact CB-CE2 3.94Å; V382-F418 HydrophobicContact CB-CG 4.23Å; V382-F418 HydrophobicContact CG1-CD2 3.84Å; V382-F418 HydrophobicContact CG1-CE2 3.57Å; V382-F418 HydrophobicContact CG1-CZ 4.16Å; V382-F418 HydrophobicContact CG2-CD2 4.06Å; V382-F418 HydrophobicContact CG2-CE2 4.45Å; A384-F418 HydrophobicContact CB-CE1 3.65Å; A384-F418 HydrophobicContact CB-CZ 3.69Å; I411-F418 HydrophobicContact CD1-CE1 4.13Å; I411-F418 HydrophobicContact CD1-CZ 4.23Å; I411-F418 HydrophobicContact CG1-CE1 4.2Å; I411-F418 HydrophobicContact CG2-CD1 3.77Å; I411-F418 HydrophobicContact CG2-CE1 3.62Å; E413-F418 CarbonylContact C-O 2.97Å; E413-F418 WeakPolarHBondContact CA-O 3.34Å; V414-F418 CarbonylContact C-O 3.58Å; V414-F418 PolarHBondContact N-O 3.38Å; V414-F418 PolarHBondContact O-N 2.94Å |
| 419 | M | 98.1 | Very high | 93 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 159.8 | -177.6 | -63.3 | 178 | 68.6 | 0 | 0 | 109.4 | V382 F383 A384 E413 | V382-M419 PolarHBondContact O-N 3.11Å; F383-M419 CarbonylContact C-O 3.47Å; F383-M419 VanDerWaalsContact CA-O 3.31Å; F383-M419 WeakPolarHBondContact CA-O 3.02Å; F383-M419 HydrophobicContact CD1-CB 3.99Å; F383-M419 HydrophobicContact CE1-CB 3.77Å; F383-M419 HydrophobicContact CE1-SD 4.18Å; F383-M419 HydrophobicContact CZ-SD 4.33Å; A384-M419 PolarHBondContact N-O 2.96Å; E413-M419 WeakPolarHBondContact OE1-CA 3.44Å; E413-M419 WeakPolarHBondContact OE1-CB 3.23Å |
| 420 | F | 98.3 | Very high | 91.9 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 154.8 | 164.4 | -57 | -60.9 | 0 | 0 | 0 | 109.6 | A384 L407 R408 I411 E413 K422 | A384-F420 WeakPolarHBondContact O-CA 3.37Å; L407-F420 HydrophobicContact CD2-CD1 4.33Å; L407-F420 HydrophobicContact CD2-CE1 4.48Å; L407-F420 HydrophobicContact CG-CD1 4.32Å; L407-F420 HydrophobicContact CG-CE1 3.98Å; R408-F420 HydrophobicContact CB-CZ 4.25Å; R408-F420 HydrophobicContact CG-CD1 4.49Å; R408-F420 HydrophobicContact CG-CD2 4.35Å; R408-F420 HydrophobicContact CG-CE1 4.14Å; R408-F420 HydrophobicContact CG-CE2 3.97Å; R408-F420 HydrophobicContact CG-CZ 3.86Å; I411-F420 HydrophobicContact CB-CE1 3.79Å; I411-F420 HydrophobicContact CB-CZ 3.7Å; I411-F420 HydrophobicContact CG1-CE1 4.42Å; I411-F420 HydrophobicContact CG2-CE1 3.73Å; I411-F420 HydrophobicContact CG2-CZ 3.63Å; E413-F420 HydrophobicContact CG-CD2 3.55Å; E413-F420 HydrophobicContact CG-CE2 3.54Å; E413-F420 HydrophobicContact CG-CG 4.37Å; E413-F420 HydrophobicContact CG-CZ 4.33Å; E413-F420 PolarHBondContact OE1-N 3.39Å; F420-K422 PolarHBondContact O-N 2.95Å |
| 421 | T | 97.5 | Very high | 91.2 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 124.8 | 167.2 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | Y289 F383 A384 F385 S423 | Y289-T421 HydrophobicContact CD2-CG2 4Å; Y289-T421 HydrophobicContact CE2-CG2 3.5Å; Y289-T421 VanDerWaalsContact CE2-CG2 3.5Å; F383-T421 HydrophobicContact CB-CG2 3.98Å; A384-T421 PolarHBondContact O-N 3.36Å; F385-T421 HydrophobicContact CB-CG2 3.63Å; F385-T421 HydrophobicContact CD1-CG2 4.19Å; F385-T421 HydrophobicContact CG-CG2 4.42Å; T421-S423 WeakPolarHBondContact O-CB 3.47Å; T421-S423 PolarHBondContact O-N 3.33Å; T421-S423 VanDerWaalsContact O-N 3.17Å; T421-S423 PolarHBondContact O-OG 2.93Å |
| 422 | K | 96.3 | Very high | 90.5 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 37% | 0.365 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 125 | 173.8 | 178.8 | 158.6 | 171.6 | 177.8 | 0 | 108.3 | E286 W287 Y289 F420 F435 E438 | E286-K422 WeakPolarHBondContact CA-O 3.3Å; W287-K422 HydrophobicContact CD2-CB 3.92Å; W287-K422 HydrophobicContact CD2-CD 4.16Å; W287-K422 HydrophobicContact CD2-CG 4.19Å; W287-K422 HydrophobicContact CE3-CB 4.3Å; W287-K422 HydrophobicContact CE3-CD 4.48Å; W287-K422 HydrophobicContact CG-CB 4.01Å; W287-K422 HydrophobicContact CG-CG 4.41Å; W287-K422 HydrophobicContact CH2-CD 4.02Å; W287-K422 HydrophobicContact CZ2-CD 3.62Å; W287-K422 HydrophobicContact CZ2-CG 4.39Å; W287-K422 HydrophobicContact CZ3-CD 4.42Å; W287-K422 PolarHBondContact N-O 3.41Å; Y289-K422 PolarHBondContact OH-N 3.2Å; Y289-K422 VanDerWaalsContact OH-N 3.07Å; F420-K422 PolarHBondContact O-N 2.95Å; K422-F435 HydrophobicContact CG-CE2 4.14Å; K422-F435 HydrophobicContact CG-CZ 4.11Å; K422-E438 WeakPolarHBondContact CE-OE2 3.43Å; K422-E438 IonicContact NZ-OE1 3.38Å; K422-E438 PolarHBondContact NZ-OE1 3Å; K422-E438 IonicContact NZ-OE2 2.71Å; K422-E438 PolarHBondContact NZ-OE2 2.91Å |
| 423 | S | 96.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 26% | 0.259 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 142 | -164.8 | 44.6 | 0 | 0 | 0 | 0 | 111.8 | C285 R408 T421 | C285-S423 CarbonylContact O-C 3.49Å; C285-S423 VanDerWaalsContact O-CA 3.25Å; C285-S423 WeakPolarHBondContact O-CA 3.4Å; R408-S423 PolarHBondContact NH2-OG 3.44Å; T421-S423 WeakPolarHBondContact O-CB 3.47Å; T421-S423 PolarHBondContact O-N 3.33Å; T421-S423 VanDerWaalsContact O-N 3.17Å; T421-S423 PolarHBondContact O-OG 2.93Å |
| 424 | L | 94 | Very high | 88.9 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.6 | 168.8 | 172 | 66.9 | 0 | 0 | 0 | 106.9 | A284 C285 T426 E431 F435 | A284-L424 CarbonylContact C-O 3.54Å; A284-L424 WeakPolarHBondContact CA-O 3.48Å; C285-L424 HydrophobicContact CB-CB 4.34Å; C285-L424 PolarHBondContact N-O 2.97Å; C285-L424 PolarHBondContact O-N 2.9Å; C285-L424 VanDerWaalsContact O-O 3.12Å; L424-T426 HydrophobicContact CD2-CG2 3.87Å; L424-T426 HydrophobicContact CG-CG2 4.03Å; L424-E431 HydrophobicContact CD2-CB 3.77Å; L424-F435 HydrophobicContact CB-CD1 3.94Å; L424-F435 HydrophobicContact CB-CD2 4.11Å; L424-F435 HydrophobicContact CB-CE1 3.91Å; L424-F435 HydrophobicContact CB-CE2 4.08Å; L424-F435 HydrophobicContact CB-CG 4.05Å; L424-F435 HydrophobicContact CB-CZ 3.98Å; L424-F435 HydrophobicContact CD2-CB 3.96Å; L424-F435 HydrophobicContact CD2-CD1 4.42Å; L424-F435 HydrophobicContact CD2-CG 4.09Å |
| 425 | T | 94.5 | Very high | 88.6 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 29% | 0.288 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.8 | 173 | -62.4 | 0 | 0 | 0 | 0 | 106.6 | E282 F283 R404 L452 | E282-T425 HydrophobicContact CG-CG2 3.56Å; E282-T425 WeakPolarHBondContact OE1-CG2 3.43Å; E282-T425 WeakPolarHBondContact OE2-CG2 3.32Å; F283-T425 WeakPolarHBondContact O-CA 3.37Å; R404-T425 PolarHBondContact NH1-OG1 3.42Å; R404-T425 VanDerWaalsContact NH1-OG1 3.1Å; R404-T425 PolarHBondContact NH2-OG1 2.82Å; T425-L452 HydrophobicContact CG2-CD1 3.52Å |
| 426 | T | 87.8 | Confident | 88 | Confident | 10 Ų | 10 | 44.7 Ų | 44.7 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 167.2 | -166.5 | -168.9 | 0 | 0 | 0 | 0 | 111.9 | F283 L424 D428 E431 I432 | F283-T426 HydrophobicContact CD2-CG2 4.38Å; F283-T426 HydrophobicContact CE2-CG2 3.73Å; F283-T426 HydrophobicContact CZ-CG2 4.29Å; F283-T426 PolarHBondContact N-O 3.5Å; F283-T426 PolarHBondContact O-N 3.07Å; L424-T426 HydrophobicContact CD2-CG2 3.87Å; L424-T426 HydrophobicContact CG-CG2 4.03Å; T426-D428 PolarHBondContact OG1-N 3.11Å; T426-E431 WeakPolarHBondContact CB-OE2 3.25Å; T426-E431 PolarHBondContact OG1-OE2 3.08Å; T426-I432 HydrophobicContact CG2-CG1 4.35Å |
| 427 | A | 80.5 | Confident | 87.4 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | trans | -125.1 | 4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 428 | D | 77.4 | Confident | 87 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | trans | -90.9 | 139.5 | -175.4 | -166.6 | -23.4 | 0 | 0 | 0 | 111.7 | T426 D430 E431 I432 | T426-D428 PolarHBondContact OG1-N 3.11Å; D428-D430 PolarHBondContact OD1-N 3.24Å; D428-E431 HydrophobicContact CB-CB 4.36Å; D428-E431 HydrophobicContact CB-CG 3.96Å; D428-I432 WeakPolarHBondContact O-CG1 3.3Å | ||
| 429 | C | 71.5 | Confident | 86.6 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 37% | 0.365 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.8 | -44.8 | 178.3 | -42.2 | 0 | 0 | 0 | 0 | 111.6 | L275 I432 G433 | L275-C429 HydrophobicContact CD1-CB 3.76Å; L275-C429 WeakPolarHBondContact CD1-SG 3.38Å; L275-C429 HydrophobicContact CD2-CB 4.35Å; L275-C429 VanDerWaalsContact CD2-SG 3.55Å; C429-I432 WeakPolarHBondContact O-CB 3.27Å; C429-I432 PolarHBondContact O-N 3.46Å; C429-G433 PolarHBondContact O-N 3.08Å |
| 430 | D | 71.9 | Confident | 85.7 | Confident | 123 Ų | 123 | 48.1 Ų | 48.1 | 66% | 0.658 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -73.6 | -35.7 | -169.5 | -73.2 | -16.8 | 0 | 0 | 0 | 110.7 | D428 I432 G433 L434 | D428-D430 PolarHBondContact OD1-N 3.24Å; D430-I432 VanDerWaalsContact C-N 3.3Å; D430-I432 PolarHBondContact O-N 2.69Å; D430-G433 PolarHBondContact O-N 3.18Å; D430-L434 PolarHBondContact O-N 2.96Å; D430-L434 VanDerWaalsContact O-N 3.13Å |
| 431 | E | 80.3 | Confident | 84.9 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 173.3 | -60.6 | -168 | 147.9 | 0 | 0 | 112.4 | L424 T426 D428 F435 | L424-E431 HydrophobicContact CD2-CB 3.77Å; T426-E431 WeakPolarHBondContact CB-OE2 3.25Å; T426-E431 PolarHBondContact OG1-OE2 3.08Å; D428-E431 HydrophobicContact CB-CB 4.36Å; D428-E431 HydrophobicContact CB-CG 3.96Å; E431-F435 WeakPolarHBondContact O-CB 3.46Å; E431-F435 PolarHBondContact O-N 3.44Å |
| 432 | I | 81.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 175 | -60 | 163.4 | 0 | 0 | 0 | 110.5 | V271 L275 F283 T426 D428 C429 D430 F435 L436 L447 L470 | V271-I432 HydrophobicContact CG1-CB 4.09Å; V271-I432 HydrophobicContact CG1-CD1 3.69Å; V271-I432 HydrophobicContact CG1-CG2 4.15Å; V271-I432 HydrophobicContact CG2-CG2 3.98Å; L275-I432 HydrophobicContact CD2-CD1 4.48Å; F283-I432 HydrophobicContact CE2-CD1 3.72Å; F283-I432 HydrophobicContact CE2-CG1 4.09Å; F283-I432 HydrophobicContact CZ-CD1 3.74Å; F283-I432 HydrophobicContact CZ-CG1 4.48Å; T426-I432 HydrophobicContact CG2-CG1 4.35Å; D428-I432 WeakPolarHBondContact O-CG1 3.3Å; C429-I432 WeakPolarHBondContact O-CB 3.27Å; C429-I432 PolarHBondContact O-N 3.46Å; D430-I432 VanDerWaalsContact C-N 3.3Å; D430-I432 PolarHBondContact O-N 2.69Å; I432-F435 PolarHBondContact O-N 3.24Å; I432-L436 VanDerWaalsContact O-CB 3.28Å; I432-L436 WeakPolarHBondContact O-CB 3.22Å; I432-L436 PolarHBondContact O-N 3.26Å; I432-L447 HydrophobicContact CG2-CD1 4.05Å; I432-L470 HydrophobicContact CG2-CD2 3.91Å |
| 433 | G | 77.4 | Confident | 83.5 | Confident | 28 Ų | 28 | 56 Ų | 56 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.5 | -51 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C429 D430 F435 L436 E437 | C429-G433 PolarHBondContact O-N 3.08Å; D430-G433 PolarHBondContact O-N 3.18Å; G433-F435 VanDerWaalsContact C-N 3.35Å; G433-F435 PolarHBondContact O-N 3.26Å; G433-L436 PolarHBondContact O-N 3.39Å; G433-E437 PolarHBondContact O-N 3.25Å |
| 434 | L | 82.6 | Confident | 83 | Confident | 119 Ų | 119 | 54.4 Ų | 54.4 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.7 | -41.8 | 176.9 | -66.3 | 173.1 | 0 | 0 | 0 | 112.2 | D430 E437 E438 | D430-L434 PolarHBondContact O-N 2.96Å; D430-L434 VanDerWaalsContact O-N 3.13Å; L434-E437 PolarHBondContact O-N 3.41Å; L434-E438 PolarHBondContact O-N 3.46Å |
| 435 | F | 89.2 | Confident | 82.3 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.2 | -30.8 | 179.7 | -165.5 | -117.3 | 0 | 0 | 0 | 112.9 | C285 W287 K422 L424 E431 I432 G433 E438 A439 L447 | C285-F435 HydrophobicContact CB-CD1 3.85Å; C285-F435 HydrophobicContact CB-CE1 4.04Å; C285-F435 WeakPolarHBondContact O-CE1 3.41Å; W287-F435 AromaticContact CD1-CE1 3.54Å; W287-F435 AromaticContact CD1-CE2 3.92Å; W287-F435 AromaticContact CD1-CZ 3.33Å; W287-F435 AromaticContact NE1-CE1 3.89Å; W287-F435 AromaticContact NE1-CE2 3.45Å; W287-F435 AromaticContact NE1-CZ 3.39Å; K422-F435 HydrophobicContact CG-CE2 4.14Å; K422-F435 HydrophobicContact CG-CZ 4.11Å; L424-F435 HydrophobicContact CB-CD1 3.94Å; L424-F435 HydrophobicContact CB-CD2 4.11Å; L424-F435 HydrophobicContact CB-CE1 3.91Å; L424-F435 HydrophobicContact CB-CE2 4.08Å; L424-F435 HydrophobicContact CB-CG 4.05Å; L424-F435 HydrophobicContact CB-CZ 3.98Å; L424-F435 HydrophobicContact CD2-CB 3.96Å; L424-F435 HydrophobicContact CD2-CD1 4.42Å; L424-F435 HydrophobicContact CD2-CG 4.09Å; E431-F435 WeakPolarHBondContact O-CB 3.46Å; E431-F435 PolarHBondContact O-N 3.44Å; I432-F435 PolarHBondContact O-N 3.24Å; G433-F435 VanDerWaalsContact C-N 3.35Å; G433-F435 PolarHBondContact O-N 3.26Å; F435-E438 PolarHBondContact O-N 3.07Å; F435-A439 WeakPolarHBondContact O-CB 3.28Å; F435-A439 PolarHBondContact O-N 2.59Å; F435-L447 HydrophobicContact CB-CD1 4.5Å; F435-L447 HydrophobicContact CD1-CD1 3.88Å; F435-L447 HydrophobicContact CD1-CD2 3.43Å; F435-L447 VanDerWaalsContact CD1-CD2 3.43Å; F435-L447 HydrophobicContact CD1-CG 4.32Å; F435-L447 HydrophobicContact CE1-CD2 3.67Å; F435-L447 HydrophobicContact CG-CD2 4.38Å |
| 436 | L | 83.8 | Confident | 82 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 171.6 | 177.2 | 63.5 | 0 | 0 | 0 | 110.8 | I432 G433 E438 A439 V440 L447 L470 M475 | I432-L436 VanDerWaalsContact O-CB 3.28Å; I432-L436 WeakPolarHBondContact O-CB 3.22Å; I432-L436 PolarHBondContact O-N 3.26Å; G433-L436 PolarHBondContact O-N 3.39Å; L436-E438 VanDerWaalsContact C-N 3.28Å; L436-E438 PolarHBondContact O-N 3.12Å; L436-A439 PolarHBondContact O-N 2.68Å; L436-V440 HydrophobicContact CD1-CG2 4.49Å; L436-V440 VanDerWaalsContact O-CG2 3.31Å; L436-V440 WeakPolarHBondContact O-CG2 3.24Å; L436-V440 PolarHBondContact O-N 3.08Å; L436-L447 HydrophobicContact CB-CD1 3.88Å; L436-L447 HydrophobicContact CB-CG 4.22Å; L436-L447 HydrophobicContact CD1-CD1 4.46Å; L436-L447 HydrophobicContact CD1-CG 3.99Å; L436-L470 HydrophobicContact CD2-CD2 4.01Å; L436-L470 HydrophobicContact CD2-CG 4.29Å; L436-M475 HydrophobicContact CD2-CG 3.76Å; L436-M475 HydrophobicContact CD2-SD 3.91Å; L436-M475 HydrophobicContact CG-SD 4.15Å |
| 437 | E | 81.6 | Confident | 82.2 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 39% | 0.393 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.1 | -42.9 | 172.7 | -78.8 | -166.2 | -156.6 | 0 | 0 | 112 | G433 L434 V440 K441 M475 | G433-E437 PolarHBondContact O-N 3.25Å; L434-E437 PolarHBondContact O-N 3.41Å; E437-V440 PolarHBondContact O-N 3.43Å; E437-K441 WeakPolarHBondContact O-CB 3.5Å; E437-K441 WeakPolarHBondContact O-CD 3.35Å; E437-K441 VanDerWaalsContact O-CG 3.27Å; E437-K441 WeakPolarHBondContact O-CG 3.4Å; E437-K441 PolarHBondContact O-N 3.37Å; E437-K441 IonicContact OE2-NZ 3.72Å; E437-K441 PolarHBondContact OE2-NZ 3.15Å; E437-M475 HydrophobicContact CG-SD 4.26Å |
| 438 | E | 89 | Confident | 82.9 | Confident | 75 Ų | 75 | 50.7 Ų | 50.7 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 179.1 | -154.7 | -160.5 | -166.1 | 0 | 0 | 111.6 | W287 K422 L434 F435 L436 V440 K441 G442 | W287-E438 HydrophobicContact CZ2-CB 4.24Å; W287-E438 HydrophobicContact CZ2-CG 3.92Å; K422-E438 WeakPolarHBondContact CE-OE2 3.43Å; K422-E438 IonicContact NZ-OE1 3.38Å; K422-E438 PolarHBondContact NZ-OE1 3Å; K422-E438 IonicContact NZ-OE2 2.71Å; K422-E438 PolarHBondContact NZ-OE2 2.91Å; L434-E438 PolarHBondContact O-N 3.46Å; F435-E438 PolarHBondContact O-N 3.07Å; L436-E438 VanDerWaalsContact C-N 3.28Å; L436-E438 PolarHBondContact O-N 3.12Å; E438-V440 VanDerWaalsContact C-N 3.31Å; E438-V440 PolarHBondContact O-N 3.26Å; E438-K441 PolarHBondContact O-N 2.97Å; E438-G442 PolarHBondContact O-N 2.94Å |
| 439 | A | 88.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | W287 F435 L436 G442 K443 C444 L447 | W287-A439 HydrophobicContact CD2-CB 4.08Å; W287-A439 HydrophobicContact CG-CB 3.92Å; F435-A439 WeakPolarHBondContact O-CB 3.28Å; F435-A439 PolarHBondContact O-N 2.59Å; L436-A439 PolarHBondContact O-N 2.68Å; A439-G442 CarbonylContact O-C 3.53Å; A439-G442 WeakPolarHBondContact O-CA 2.95Å; A439-G442 PolarHBondContact O-N 3.18Å; A439-K443 PolarHBondContact O-N 2.66Å; A439-C444 HydrophobicContact CB-CB 4.14Å; A439-C444 VanDerWaalsContact O-CB 3.25Å; A439-C444 WeakPolarHBondContact O-CB 3.18Å; A439-C444 PolarHBondContact O-N 2.81Å; A439-L447 HydrophobicContact CB-CD2 3.83Å |
| 440 | V | 79.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.2 | -42.6 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | L436 E437 E438 G442 K443 K472 M475 | L436-V440 HydrophobicContact CD1-CG2 4.49Å; L436-V440 VanDerWaalsContact O-CG2 3.31Å; L436-V440 WeakPolarHBondContact O-CG2 3.24Å; L436-V440 PolarHBondContact O-N 3.08Å; E437-V440 PolarHBondContact O-N 3.43Å; E438-V440 VanDerWaalsContact C-N 3.31Å; E438-V440 PolarHBondContact O-N 3.26Å; V440-G442 PolarHBondContact O-N 2.87Å; V440-K443 PolarHBondContact O-N 3.49Å; V440-K472 HydrophobicContact CG2-CB 3.36Å; V440-K472 HydrophobicContact CG2-CD 4.47Å; V440-M475 HydrophobicContact CG2-CE 4.19Å |
| 441 | K | 81.9 | Confident | 85.8 | Confident | 150 Ų | 150 | 39.4 Ų | 39.4 | 65% | 0.652 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.3 | -34.9 | 171.5 | -69.2 | 161.2 | -169.1 | 162.2 | 0 | 111 | E437 E438 K443 | E437-K441 WeakPolarHBondContact O-CB 3.5Å; E437-K441 WeakPolarHBondContact O-CD 3.35Å; E437-K441 VanDerWaalsContact O-CG 3.27Å; E437-K441 WeakPolarHBondContact O-CG 3.4Å; E437-K441 PolarHBondContact O-N 3.37Å; E437-K441 IonicContact OE2-NZ 3.72Å; E437-K441 PolarHBondContact OE2-NZ 3.15Å; E438-K441 PolarHBondContact O-N 2.97Å; K441-K443 PolarHBondContact O-N 3.29Å |
| 442 | G | 84.8 | Confident | 86.5 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 24% | 0.237 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 1.9 | 171 | 0 | 0 | 0 | 0 | 0 | 116.2 | E438 A439 V440 C444 | E438-G442 PolarHBondContact O-N 2.94Å; A439-G442 CarbonylContact O-C 3.53Å; A439-G442 WeakPolarHBondContact O-CA 2.95Å; A439-G442 PolarHBondContact O-N 3.18Å; V440-G442 PolarHBondContact O-N 2.87Å; G442-C444 VanDerWaalsContact C-N 3.34Å |
| 443 | K | 80.7 | Confident | 87.1 | Confident | 115 Ų | 115 | 39 Ų | 39 | 50% | 0.5 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 19.9 | -175.5 | -48.7 | 175.6 | -167 | 160.9 | 0 | 115.8 | I357 A439 V440 K441 | I357-K443 WeakPolarHBondContact O-CD 2.97Å; I357-K443 PolarHBondContact O-NZ 2.89Å; A439-K443 PolarHBondContact O-N 2.66Å; V440-K443 PolarHBondContact O-N 3.49Å; K441-K443 PolarHBondContact O-N 3.29Å |
| 444 | C | 84.7 | Confident | 87.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | trans | -76.4 | 165.1 | 173.6 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | W287 K288 A439 G442 G446 | W287-C444 VanDerWaalsContact CE3-SG 3.54Å; K288-C444 WeakPolarHBondContact O-CB 3.35Å; A439-C444 HydrophobicContact CB-CB 4.14Å; A439-C444 VanDerWaalsContact O-CB 3.25Å; A439-C444 WeakPolarHBondContact O-CB 3.18Å; A439-C444 PolarHBondContact O-N 2.81Å; G442-C444 VanDerWaalsContact C-N 3.34Å; C444-G446 VanDerWaalsContact C-N 3.3Å | ||
| 445 | E | 80.1 | Confident | 88.1 | Confident | 35 Ų | 35 | 42.6 Ų | 42.6 | 16% | 0.164 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -75.1 | -18.9 | 174.3 | -70.6 | -154.2 | 137.2 | 0 | 0 | 112.9 | K288 D290 K471 K472 R602 | K288-E445 HydrophobicContact CD-CB 4.09Å; K288-E445 WeakPolarHBondContact CE-OE2 3.45Å; K288-E445 IonicContact NZ-OE2 3.1Å; K288-E445 PolarHBondContact NZ-OE2 2.84Å; K288-E445 PolarHBondContact O-N 2.86Å; D290-E445 HydrophobicContact CB-CG 3.86Å; E445-K471 WeakPolarHBondContact O-CA 3.47Å; E445-K472 PolarHBondContact O-N 2.78Å; E445-R602 IonicContact OE1-NH2 2.73Å; E445-R602 PolarHBondContact OE1-NH2 2.88Å |
| 446 | G | 88.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.9 | -137 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K288 C444 L470 | K288-G446 WeakPolarHBondContact CB-O 3.43Å; K288-G446 PolarHBondContact N-O 3.25Å; C444-G446 VanDerWaalsContact C-N 3.3Å; G446-L470 CarbonylContact C-O 3.54Å; G446-L470 WeakPolarHBondContact CA-O 3.29Å |
| 447 | L | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 151.9 | 178.2 | -60.8 | 179.3 | 0 | 0 | 0 | 112.7 | C285 E286 I432 F435 L436 A439 K469 L470 | C285-L447 HydrophobicContact CB-CD1 4.36Å; E286-L447 CarbonylContact O-C 3.58Å; E286-L447 VanDerWaalsContact O-CA 3.3Å; E286-L447 WeakPolarHBondContact O-CA 3.24Å; I432-L447 HydrophobicContact CG2-CD1 4.05Å; F435-L447 HydrophobicContact CB-CD1 4.5Å; F435-L447 HydrophobicContact CD1-CD1 3.88Å; F435-L447 HydrophobicContact CD1-CD2 3.43Å; F435-L447 VanDerWaalsContact CD1-CD2 3.43Å; F435-L447 HydrophobicContact CD1-CG 4.32Å; F435-L447 HydrophobicContact CE1-CD2 3.67Å; F435-L447 HydrophobicContact CG-CD2 4.38Å; L436-L447 HydrophobicContact CB-CD1 3.88Å; L436-L447 HydrophobicContact CB-CG 4.22Å; L436-L447 HydrophobicContact CD1-CD1 4.46Å; L436-L447 HydrophobicContact CD1-CG 3.99Å; A439-L447 HydrophobicContact CB-CD2 3.83Å; L447-K469 CarbonylContact O-C 3.56Å; L447-K469 WeakPolarHBondContact O-CA 3.43Å; L447-L470 HydrophobicContact CB-CB 4.43Å; L447-L470 PolarHBondContact N-O 2.67Å; L447-L470 PolarHBondContact O-N 3.39Å |
| 448 | M | 94.1 | Very high | 89.5 | Confident | 30 Ų | 30 | 39.7 Ų | 39.7 | 15% | 0.148 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.5 | 161 | -61.7 | -63.1 | -61.7 | 0 | 0 | 107.4 | A265 C285 E286 K288 W467 L468 K469 | A265-M448 HydrophobicContact CB-CE 3.5Å; C285-M448 CarbonylContact C-O 3.5Å; C285-M448 WeakPolarHBondContact CA-O 3.33Å; E286-M448 HydrophobicContact CB-CB 4.46Å; E286-M448 PolarHBondContact N-O 3.08Å; E286-M448 PolarHBondContact O-N 2.78Å; K288-M448 HydrophobicContact CB-CG 3.93Å; K288-M448 HydrophobicContact CB-SD 4.21Å; K288-M448 HydrophobicContact CD-SD 3.97Å; K288-M448 HydrophobicContact CG-CG 3.95Å; K288-M448 HydrophobicContact CG-SD 3.7Å; M448-W467 HydrophobicContact CE-CE3 4.33Å; M448-L468 CarbonylContact C-O 3.59Å; M448-L468 WeakPolarHBondContact CA-O 3.46Å; M448-K469 HydrophobicContact CE-CB 4.42Å; M448-K469 HydrophobicContact SD-CB 3.77Å |
| 449 | V | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.3 | 174.6 | -168.6 | 0 | 0 | 0 | 0 | 109 | V274 F278 F283 A284 W467 L468 | V274-V449 HydrophobicContact CG1-CB 4.31Å; V274-V449 HydrophobicContact CG1-CG1 3.75Å; V274-V449 HydrophobicContact CG1-CG2 4.25Å; V274-V449 HydrophobicContact CG2-CG2 4.17Å; F278-V449 HydrophobicContact CE1-CG1 4.12Å; F278-V449 HydrophobicContact CE2-CG1 4.35Å; F278-V449 HydrophobicContact CZ-CG1 3.9Å; F283-V449 HydrophobicContact CB-CG1 4.17Å; F283-V449 HydrophobicContact CD2-CG1 3.54Å; F283-V449 HydrophobicContact CE2-CG1 4.22Å; F283-V449 HydrophobicContact CG-CG1 3.93Å; A284-V449 CarbonylContact O-C 3.58Å; A284-V449 WeakPolarHBondContact O-CA 3.48Å; V449-W467 CarbonylContact O-C 3.58Å; V449-W467 WeakPolarHBondContact O-CA 3.16Å; V449-L468 HydrophobicContact CB-CB 4.41Å; V449-L468 PolarHBondContact N-O 2.75Å; V449-L468 PolarHBondContact O-N 3.42Å |
| 450 | K | 95.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.7 | -171.9 | -60.5 | -179.9 | 173.1 | 172.3 | 0 | 111.3 | F283 A284 E286 F385 F400 L452 S466 W467 | F283-K450 WeakPolarHBondContact CB-O 3.35Å; A284-K450 HydrophobicContact CB-CB 4.46Å; A284-K450 PolarHBondContact N-O 3.26Å; A284-K450 PolarHBondContact O-N 3.01Å; E286-K450 WeakPolarHBondContact OE2-CD 3.23Å; E286-K450 WeakPolarHBondContact OE2-CE 3.43Å; E286-K450 IonicContact OE2-NZ 3.92Å; E286-K450 PolarHBondContact OE2-NZ 3.36Å; F385-K450 PolarHBondContact O-NZ 3.44Å; F400-K450 HydrophobicContact CD1-CB 3.81Å; F400-K450 HydrophobicContact CD1-CD 4.03Å; F400-K450 HydrophobicContact CD2-CD 4.5Å; F400-K450 HydrophobicContact CE1-CB 3.82Å; F400-K450 HydrophobicContact CE1-CD 3.43Å; F400-K450 VanDerWaalsContact CE1-CD 3.43Å; F400-K450 HydrophobicContact CE1-CG 4.29Å; F400-K450 HydrophobicContact CE2-CD 3.97Å; F400-K450 HydrophobicContact CZ-CD 3.4Å; K450-L452 PolarHBondContact O-N 2.68Å; K450-S466 WeakPolarHBondContact CA-O 3.34Å; K450-W467 HydrophobicContact CD-CD2 4.35Å; K450-W467 HydrophobicContact CD-CZ2 4.26Å; K450-W467 HydrophobicContact CG-CD2 4.29Å; K450-W467 HydrophobicContact CG-CG 3.98Å |
| 451 | T | 94 | Very high | 90.1 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 134.1 | 169.8 | 54 | 0 | 0 | 0 | 0 | 109.2 | F278 M281 F400 A456 S466 | F278-T451 HydrophobicContact CD1-CG2 3.96Å; F278-T451 HydrophobicContact CE1-CG2 3.37Å; F278-T451 HydrophobicContact CZ-CG2 3.8Å; M281-T451 HydrophobicContact SD-CG2 4.24Å; F400-T451 WeakPolarHBondContact CB-O 3.29Å; T451-A456 WeakPolarHBondContact O-CB 3.18Å; T451-S466 PolarHBondContact N-O 3.35Å; T451-S466 WeakPolarHBondContact OG1-CB 3.35Å; T451-S466 PolarHBondContact OG1-O 3.03Å |
| 452 | L | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -85 | -43.8 | -177.9 | -82.6 | 161.8 | 0 | 0 | 0 | 113.4 | E282 A284 T399 F400 R401 T425 K450 A456 | E282-L452 HydrophobicContact CG-CD1 4.12Å; A284-L452 HydrophobicContact CB-CD1 4.34Å; A284-L452 HydrophobicContact CB-CD2 4.11Å; A284-L452 HydrophobicContact CB-CG 4.18Å; T399-L452 WeakPolarHBondContact CB-O 3.38Å; F400-L452 HydrophobicContact CD1-CD2 3.9Å; F400-L452 HydrophobicContact CE1-CD2 4.41Å; F400-L452 PolarHBondContact N-O 3.17Å; F400-L452 VanDerWaalsContact N-O 3.09Å; R401-L452 HydrophobicContact CB-CB 4.32Å; R401-L452 HydrophobicContact CB-CD2 3.95Å; R401-L452 HydrophobicContact CG-CD2 4.44Å; R401-L452 PolarHBondContact N-O 3.47Å; T425-L452 HydrophobicContact CG2-CD1 3.52Å; K450-L452 PolarHBondContact O-N 2.68Å; L452-A456 WeakPolarHBondContact O-CB 3.41Å |
| 453 | D | 94.6 | Very high | 90 | Very high | 70 Ų | 70 | 39.4 Ų | 39.4 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -123 | -63.1 | -170.4 | -50.7 | -69.4 | 0 | 0 | 0 | 113.6 | T399 R401 G455 A456 | T399-D453 WeakPolarHBondContact CG2-O 3.46Å; R401-D453 WeakPolarHBondContact CB-OD1 3.46Å; R401-D453 IonicContact CZ-OD1 3.17Å; R401-D453 IonicContact CZ-OD2 2.88Å; R401-D453 IonicContact NE-OD1 2.75Å; R401-D453 PolarHBondContact NE-OD1 3.08Å; R401-D453 IonicContact NE-OD2 2.63Å; R401-D453 PolarHBondContact NE-OD2 3.47Å; R401-D453 VanDerWaalsContact NE-OD2 3.16Å; R401-D453 IonicContact NH2-OD1 2.67Å; R401-D453 IonicContact NH2-OD2 2.9Å; R401-D453 PolarHBondContact NH2-OD2 3.04Å; D453-G455 PolarHBondContact O-N 3.03Å; D453-A456 WeakPolarHBondContact O-CB 3.46Å; D453-A456 PolarHBondContact O-N 2.92Å |
| 454 | K | 90.1 | Very high | 90.2 | Very high | 171 Ų | 171 | 34.5 Ų | 34.5 | 74% | 0.743 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 118.6 | -175.6 | -171.4 | 177.9 | -178.4 | -179.9 | 0 | 110.9 | A456 | K454-A456 PolarHBondContact O-N 2.82Š|
| 455 | G | 89.8 | Confident | 90.2 | Very high | 53 Ų | 53 | 37.4 Ų | 37.4 | 55% | 0.546 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 15.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | D453 A457 S466 | D453-G455 PolarHBondContact O-N 3.03Å; G455-A457 VanDerWaalsContact C-N 3.29Å; G455-A457 PolarHBondContact O-N 3.38Å; G455-S466 PolarHBondContact O-OG 2.94Å |
| 456 | A | 94.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | trans | -87.9 | 19.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115 | F400 R403 T451 L452 D453 K454 | F400-A456 HydrophobicContact CB-CB 4Å; F400-A456 PolarHBondContact N-O 2.85Å; R403-A456 PolarHBondContact NH1-O 2.81Å; T451-A456 WeakPolarHBondContact O-CB 3.18Å; L452-A456 WeakPolarHBondContact O-CB 3.41Å; D453-A456 WeakPolarHBondContact O-CB 3.46Å; D453-A456 PolarHBondContact O-N 2.92Å; K454-A456 PolarHBondContact O-N 2.82Å | ||
| 457 | A | 95.2 | Very high | 90.8 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -63.7 | 162 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G455 D459 | G455-A457 VanDerWaalsContact C-N 3.29Å; G455-A457 PolarHBondContact O-N 3.38Å; A457-D459 PolarHBondContact O-N 2.83Å |
| 458 | Y | 96.2 | Very high | 90.8 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | trans | -86.2 | 102.7 | 173.8 | -172.7 | -86.9 | 0 | 0 | 0 | 109.9 | P262 M263 R293 D344 D386 L388 T396 I460 W467 | P262-Y458 WeakPolarHBondContact CA-OH 3.3Å; M263-Y458 HydrophobicContact CB-CD1 4.08Å; M263-Y458 HydrophobicContact CB-CD2 3.98Å; M263-Y458 HydrophobicContact CB-CE1 3.72Å; M263-Y458 HydrophobicContact CB-CE2 3.63Å; M263-Y458 HydrophobicContact CB-CG 4.22Å; M263-Y458 PolarHBondContact N-OH 2.9Å; M263-Y458 VanDerWaalsContact N-OH 3.08Å; M263-Y458 HydrophobicContact SD-CD2 3.89Å; M263-Y458 HydrophobicContact SD-CE2 4.36Å; M263-Y458 HydrophobicContact SD-CG 4.15Å; R293-Y458 PolarHBondContact NH2-OH 3.49Å; D344-Y458 WeakPolarHBondContact OD2-CE2 3.35Å; D344-Y458 PolarHBondContact OD2-OH 3.46Å; D386-Y458 WeakPolarHBondContact OD2-CD2 3.3Å; L388-Y458 HydrophobicContact CD1-CE1 4.09Å; L388-Y458 HydrophobicContact CD1-CE2 4.32Å; L388-Y458 HydrophobicContact CD2-CD1 4Å; L388-Y458 HydrophobicContact CD2-CD2 3.41Å; L388-Y458 VanDerWaalsContact CD2-CD2 3.41Å; L388-Y458 HydrophobicContact CD2-CE1 4.03Å; L388-Y458 HydrophobicContact CD2-CE2 3.42Å; L388-Y458 VanDerWaalsContact CD2-CE2 3.42Å; L388-Y458 HydrophobicContact CD2-CG 3.69Å; T396-Y458 HydrophobicContact CG2-CD1 3.98Å; T396-Y458 HydrophobicContact CG2-CG 4.24Å; T396-Y458 PolarHBondContact O-N 2.99Å; Y458-I460 HydrophobicContact CD1-CG1 3.75Å; Y458-I460 HydrophobicContact CE1-CG1 4.12Å; Y458-I460 PolarHBondContact O-N 3.4Å; Y458-W467 HydrophobicContact CD2-CH2 4.32Å; Y458-W467 HydrophobicContact CD2-CZ2 4.16Å; Y458-W467 AromaticContact CE2-CH2 3.89Å; Y458-W467 HydrophobicContact CE2-CH2 3.89Å; Y458-W467 HydrophobicContact CE2-CZ2 4.21Å | ||
| 459 | D | 91.7 | Very high | 90.6 | Very high | 46 Ų | 46 | 38.2 Ų | 38.2 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | trans | -77.4 | 83.9 | -178.6 | -75.5 | -56.6 | 0 | 0 | 0 | 111.9 | M263 A457 A461 K462 S464 | M263-D459 WeakPolarHBondContact CA-O 3.46Å; M263-D459 WeakPolarHBondContact CB-O 3.36Å; M263-D459 HydrophobicContact CE-CB 4.13Å; M263-D459 HydrophobicContact CG-CB 4.2Å; M263-D459 WeakPolarHBondContact CG-O 3.48Å; M263-D459 HydrophobicContact SD-CB 4.39Å; M263-D459 PolarHBondContact SD-N 3.27Å; M263-D459 VanDerWaalsContact SD-N 3.38Å; A457-D459 PolarHBondContact O-N 2.83Å; D459-A461 PolarHBondContact O-N 3.08Å; D459-K462 HydrophobicContact CB-CB 4.11Å; D459-K462 HydrophobicContact CB-CD 4.38Å; D459-K462 PolarHBondContact O-N 3.3Å; D459-S464 WeakPolarHBondContact OD2-CB 3.36Å; D459-S464 PolarHBondContact OD2-OG 3.49Å | ||
| 460 | I | 91.4 | Very high | 90.2 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 131.1 | -179 | -55.9 | 177.6 | 0 | 0 | 0 | 111.6 | C228 E229 I254 I260 K261 T396 Y458 K462 | C228-I460 HydrophobicContact CB-CG2 3.68Å; C228-I460 WeakPolarHBondContact O-CG2 3.41Å; E229-I460 HydrophobicContact CG-CD1 3.47Å; E229-I460 VanDerWaalsContact CG-CD1 3.47Å; I254-I460 HydrophobicContact CD1-CD1 4.2Å; I260-I460 HydrophobicContact CG2-CD1 4.1Å; I260-I460 HydrophobicContact CG2-CG1 4.21Å; I260-I460 HydrophobicContact CG2-CG2 3.56Å; K261-I460 HydrophobicContact CB-CG2 4.46Å; K261-I460 VanDerWaalsContact O-CG2 3.24Å; K261-I460 WeakPolarHBondContact O-CG2 3.26Å; T396-I460 HydrophobicContact CG2-CD1 4.28Å; T396-I460 HydrophobicContact CG2-CG1 4.47Å; Y458-I460 HydrophobicContact CD1-CG1 3.75Å; Y458-I460 HydrophobicContact CE1-CG1 4.12Å; Y458-I460 PolarHBondContact O-N 3.4Å; I460-K462 PolarHBondContact O-N 3.37Å |
| 461 | A | 86.1 | Confident | 89.4 | Confident | 36 Ų | 36 | 39.5 Ų | 39.5 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -8.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | C228 K261 P262 D459 | C228-A461 HydrophobicContact CB-CB 3.94Å; C228-A461 WeakPolarHBondContact SG-CB 3.15Å; K261-A461 HydrophobicContact CB-CB 3.55Å; K261-A461 HydrophobicContact CD-CB 4.04Å; K261-A461 HydrophobicContact CG-CB 4.42Å; K261-A461 PolarHBondContact O-N 2.82Å; P262-A461 WeakPolarHBondContact O-CA 3.3Å; P262-A461 PolarHBondContact O-N 2.86Å; D459-A461 PolarHBondContact O-N 3.08Å |
| 462 | K | 83.7 | Confident | 88.1 | Confident | 124 Ų | 124 | 43.3 Ų | 43.3 | 54% | 0.539 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -91.3 | 155.4 | -176.7 | -65.9 | 177.5 | -179.4 | 177.6 | 0 | 110.8 | L264 D459 I460 | L264-K462 PolarHBondContact N-O 3.11Å; D459-K462 HydrophobicContact CB-CB 4.11Å; D459-K462 HydrophobicContact CB-CD 4.38Å; D459-K462 PolarHBondContact O-N 3.3Å; I460-K462 PolarHBondContact O-N 3.37Å |
| 463 | R | 81 | Confident | 86.4 | Confident | 60 Ų | 60 | 45.9 Ų | 45.9 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.5 | 155.4 | -157.7 | 179.8 | -70.4 | 131.2 | -6.1 | 107.7 | L264 F266 T614 Q617 | L264-R463 HydrophobicContact CB-CB 4.26Å; L264-R463 HydrophobicContact CB-CG 4.19Å; L264-R463 CarbonylContact O-C 3.5Å; L264-R463 VanDerWaalsContact O-CA 3.29Å; L264-R463 WeakPolarHBondContact O-CA 3.3Å; F266-R463 HydrophobicContact CD1-CG 4.29Å; F266-R463 HydrophobicContact CD2-CB 4.32Å; F266-R463 HydrophobicContact CD2-CG 3.58Å; F266-R463 HydrophobicContact CE1-CG 4.32Å; F266-R463 VanDerWaalsContact CE2-C 3.49Å; F266-R463 HydrophobicContact CE2-CB 3.88Å; F266-R463 HydrophobicContact CE2-CG 3.64Å; F266-R463 WeakPolarHBondContact CE2-O 3.47Å; F266-R463 HydrophobicContact CG-CG 3.92Å; F266-R463 HydrophobicContact CZ-CB 4.14Å; F266-R463 HydrophobicContact CZ-CG 4.01Å; R463-T614 PolarHBondContact NH1-OG1 2.88Å; R463-Q617 VanDerWaalsContact NH1-CG 3.31Å; R463-Q617 VanDerWaalsContact NH1-OE1 3.07Å |
| 464 | S | 85.1 | Confident | 84.6 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130.7 | -173.7 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | L264 F266 D459 S466 W467 | L264-S464 PolarHBondContact O-N 2.71Å; F266-S464 VanDerWaalsContact CD2-C 3.42Å; D459-S464 WeakPolarHBondContact OD2-CB 3.36Å; D459-S464 PolarHBondContact OD2-OG 3.49Å; S464-S466 PolarHBondContact O-N 3.05Å; S464-S466 VanDerWaalsContact O-N 3.16Å; S464-S466 WeakPolarHBondContact OG-CB 3.45Å; S464-S466 PolarHBondContact OG-N 2.93Å; S464-S466 PolarHBondContact OG-OG 3.41Å; S464-W467 PolarHBondContact O-N 3.35Å |
| 465 | H | 83.6 | Confident | 82.9 | Confident | 63 Ų | 63 | 41.2 Ų | 41.2 | 29% | 0.292 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -9.4 | 178.4 | -58 | -80.7 | 0 | 0 | 0 | 112.8 | F266 R277 W467 E620 | F266-H465 AromaticContact CD1-CE1 3.75Å; F266-H465 AromaticContact CD1-ND1 3.95Å; F266-H465 HydrophobicContact CD2-CB 4.35Å; F266-H465 AromaticContact CD2-CE1 3.78Å; F266-H465 AromaticContact CD2-CG 3.75Å; F266-H465 AromaticContact CD2-ND1 3.47Å; F266-H465 WeakPolarHBondContact CD2-ND1 3.49Å; F266-H465 AromaticContact CE1-CE1 3.54Å; F266-H465 AromaticContact CE2-CD2 3.76Å; F266-H465 AromaticContact CE2-CE1 3.56Å; F266-H465 AromaticContact CE2-CG 3.79Å; F266-H465 AromaticContact CE2-ND1 3.67Å; F266-H465 AromaticContact CE2-NE2 3.64Å; F266-H465 AromaticContact CG-CE1 3.88Å; F266-H465 AromaticContact CG-ND1 3.62Å; F266-H465 AromaticContact CZ-CE1 3.44Å; F266-H465 VanDerWaalsContact CZ-CE1 3.44Å; F266-H465 WeakPolarHBondContact CZ-CE1 3.21Å; F266-H465 AromaticContact CZ-NE2 3.57Å; R277-H465 VanDerWaalsContact NH2-CB 3.34Å; H465-W467 PolarHBondContact O-N 3.16Å; H465-E620 IonicContact CE1-OE1 3.61Å; H465-E620 PolarHBondContact CE1-OE1 2.9Å |
| 466 | S | 90 | Very high | 80.7 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | -22.9 | 168.5 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | K450 T451 G455 S464 | K450-S466 WeakPolarHBondContact CA-O 3.34Å; T451-S466 PolarHBondContact N-O 3.35Å; T451-S466 WeakPolarHBondContact OG1-CB 3.35Å; T451-S466 PolarHBondContact OG1-O 3.03Å; G455-S466 PolarHBondContact O-OG 2.94Å; S464-S466 PolarHBondContact O-N 3.05Å; S464-S466 VanDerWaalsContact O-N 3.16Å; S464-S466 WeakPolarHBondContact OG-CB 3.45Å; S464-S466 PolarHBondContact OG-N 2.93Å; S464-S466 PolarHBondContact OG-OG 3.41Å |
| 467 | W | 92.4 | Very high | 78.2 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 116.5 | 171.3 | -72.4 | 16 | 0 | 0 | 0 | 110.6 | M263 A265 F266 F385 D386 M448 V449 K450 Y458 S464 H465 | M263-W467 HydrophobicContact CB-CZ3 4.49Å; M263-W467 HydrophobicContact CE-CB 4.33Å; M263-W467 HydrophobicContact CE-CD2 3.99Å; M263-W467 HydrophobicContact CE-CG 3.7Å; M263-W467 HydrophobicContact CG-CD2 4.35Å; M263-W467 HydrophobicContact CG-CE3 4.34Å; M263-W467 HydrophobicContact SD-CD2 3.8Å; M263-W467 VanDerWaalsContact SD-CE2 3.55Å; M263-W467 HydrophobicContact SD-CE3 4.31Å; M263-W467 HydrophobicContact SD-CG 4.19Å; M263-W467 HydrophobicContact SD-CH2 4.34Å; M263-W467 HydrophobicContact SD-CZ2 3.85Å; A265-W467 CarbonylContact C-O 3.59Å; A265-W467 WeakPolarHBondContact CA-O 3.29Å; A265-W467 HydrophobicContact CB-CB 3.81Å; A265-W467 VanDerWaalsContact CB-O 3.29Å; A265-W467 WeakPolarHBondContact CB-O 3.28Å; F266-W467 PolarHBondContact N-O 3.14Å; F385-W467 HydrophobicContact CD2-CH2 4.05Å; F385-W467 AromaticContact CE2-CH2 3.73Å; F385-W467 HydrophobicContact CE2-CH2 3.73Å; F385-W467 HydrophobicContact CE2-CZ3 4.14Å; D386-W467 WeakPolarHBondContact OD2-CZ2 3.41Å; M448-W467 HydrophobicContact CE-CE3 4.33Å; V449-W467 CarbonylContact O-C 3.58Å; V449-W467 WeakPolarHBondContact O-CA 3.16Å; K450-W467 HydrophobicContact CD-CD2 4.35Å; K450-W467 HydrophobicContact CD-CZ2 4.26Å; K450-W467 HydrophobicContact CG-CD2 4.29Å; K450-W467 HydrophobicContact CG-CG 3.98Å; Y458-W467 HydrophobicContact CD2-CH2 4.32Å; Y458-W467 HydrophobicContact CD2-CZ2 4.16Å; Y458-W467 AromaticContact CE2-CH2 3.89Å; Y458-W467 HydrophobicContact CE2-CH2 3.89Å; Y458-W467 HydrophobicContact CE2-CZ2 4.21Å; S464-W467 PolarHBondContact O-N 3.35Å; H465-W467 PolarHBondContact O-N 3.16Å |
| 468 | L | 90.2 | Very high | 75.6 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 155.8 | 170 | -54.9 | -174.8 | 0 | 0 | 0 | 110.7 | F266 T268 V274 F278 M448 V449 | F266-L468 HydrophobicContact CB-CD2 3.86Å; F266-L468 CarbonylContact O-C 3.49Å; F266-L468 WeakPolarHBondContact O-CA 3.46Å; T268-L468 HydrophobicContact CG2-CB 3.97Å; T268-L468 HydrophobicContact CG2-CD1 4.39Å; V274-L468 HydrophobicContact CG2-CD1 4.15Å; F278-L468 HydrophobicContact CD2-CD1 4.42Å; F278-L468 HydrophobicContact CE2-CD1 3.67Å; F278-L468 HydrophobicContact CE2-CG 4.03Å; M448-L468 CarbonylContact C-O 3.59Å; M448-L468 WeakPolarHBondContact CA-O 3.46Å; V449-L468 HydrophobicContact CB-CB 4.41Å; V449-L468 PolarHBondContact N-O 2.75Å; V449-L468 PolarHBondContact O-N 3.42Å |
| 469 | K | 89.5 | Confident | 73.7 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 23% | 0.226 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114.5 | 171.3 | 72.3 | -160.9 | 175.2 | -169.3 | 0 | 110.1 | A265 F266 T268 K288 L447 M448 | A265-K469 HydrophobicContact CB-CB 4.4Å; F266-K469 WeakPolarHBondContact O-CG 3.44Å; F266-K469 PolarHBondContact O-N 3.47Å; T268-K469 PolarHBondContact N-O 2.62Å; K288-K469 HydrophobicContact CD-CB 4.48Å; L447-K469 CarbonylContact O-C 3.56Å; L447-K469 WeakPolarHBondContact O-CA 3.43Å; M448-K469 HydrophobicContact CE-CB 4.42Å; M448-K469 HydrophobicContact SD-CB 3.77Å |
| 470 | L | 85.5 | Confident | 72.6 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.7 | 177.2 | -178.3 | 69.1 | 0 | 0 | 0 | 107.8 | T268 V271 I432 L436 G446 L447 Y474 | T268-L470 HydrophobicContact CG2-CB 3.9Å; T268-L470 HydrophobicContact CG2-CD1 4.01Å; V271-L470 HydrophobicContact CG2-CD2 4.17Å; I432-L470 HydrophobicContact CG2-CD2 3.91Å; L436-L470 HydrophobicContact CD2-CD2 4.01Å; L436-L470 HydrophobicContact CD2-CG 4.29Å; G446-L470 CarbonylContact C-O 3.54Å; G446-L470 WeakPolarHBondContact CA-O 3.29Å; L447-L470 HydrophobicContact CB-CB 4.43Å; L447-L470 PolarHBondContact N-O 2.67Å; L447-L470 PolarHBondContact O-N 3.39Å; L470-Y474 HydrophobicContact CD1-CD2 3.93Å |
| 471 | K | 77.7 | Confident | 72.4 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 154.7 | -178 | -70.3 | -177.7 | 168.8 | -171.6 | 0 | 111.8 | E445 D473 Y474 S481 | E445-K471 WeakPolarHBondContact O-CA 3.47Å; K471-D473 HydrophobicContact CB-CB 4.44Å; K471-D473 PolarHBondContact O-N 3.13Å; K471-D473 VanDerWaalsContact O-N 3.17Å; K471-Y474 HydrophobicContact CB-CD2 3.88Å; K471-Y474 HydrophobicContact CB-CE2 3.63Å; K471-Y474 HydrophobicContact CG-CE2 4.16Å; K471-Y474 VanDerWaalsContact N-CD2 3.27Å; K471-Y474 WeakPolarHBondContact O-CD2 3.36Å; K471-Y474 PolarHBondContact O-N 2.83Å; K471-S481 PolarHBondContact NZ-OG 3.47Å |
| 472 | K | 66.8 | Low | 72.7 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -54.7 | -29.3 | 168.2 | 73.4 | -173.2 | -179.8 | -174.7 | 0 | 114.2 | V440 E445 Y474 M475 | V440-K472 HydrophobicContact CG2-CB 3.36Å; V440-K472 HydrophobicContact CG2-CD 4.47Å; E445-K472 PolarHBondContact O-N 2.78Å; K472-Y474 PolarHBondContact O-N 3.3Å; K472-Y474 VanDerWaalsContact O-N 3.15Å; K472-M475 PolarHBondContact O-N 3.43Å |
| 473 | D | 59.6 | Low | 73.3 | Confident | 55 Ų | 55 | 45 Ų | 45 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -64.1 | -17.2 | -176.6 | -69.1 | -16.4 | 0 | 0 | 0 | 112.9 | K471 | K471-D473 HydrophobicContact CB-CB 4.44Å; K471-D473 PolarHBondContact O-N 3.13Å; K471-D473 VanDerWaalsContact O-N 3.17Å |
| 474 | Y | 57.8 | Low | 74.2 | Confident | 48 Ų | 48 | 42.1 Ų | 42.1 | 19% | 0.188 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -85.4 | -15.3 | -179.6 | -54.9 | -58.5 | 0 | 0 | 0 | 114.7 | T268 K269 L470 K471 K472 N476 D480 | T268-Y474 WeakPolarHBondContact O-CE2 3.49Å; T268-Y474 PolarHBondContact O-OH 3.41Å; K269-Y474 WeakPolarHBondContact O-CB 3.19Å; K269-Y474 WeakPolarHBondContact O-CD1 3.35Å; L470-Y474 HydrophobicContact CD1-CD2 3.93Å; K471-Y474 HydrophobicContact CB-CD2 3.88Å; K471-Y474 HydrophobicContact CB-CE2 3.63Å; K471-Y474 HydrophobicContact CG-CE2 4.16Å; K471-Y474 VanDerWaalsContact N-CD2 3.27Å; K471-Y474 WeakPolarHBondContact O-CD2 3.36Å; K471-Y474 PolarHBondContact O-N 2.83Å; K472-Y474 PolarHBondContact O-N 3.3Å; K472-Y474 VanDerWaalsContact O-N 3.15Å; Y474-N476 CarbonylContact C-O 3.59Å; Y474-N476 PolarHBondContact O-N 2.75Å; Y474-D480 WeakPolarHBondContact CE1-OD1 3.2Å; Y474-D480 PolarHBondContact OH-OD1 3.3Å; Y474-D480 VanDerWaalsContact OH-OD1 3.08Å |
| 475 | M | 52.6 | Low | 74.8 | Confident | 95 Ų | 95 | 41.5 Ų | 41.5 | 47% | 0.468 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -68.2 | -17 | 171.9 | -65 | -167.8 | -59.8 | 0 | 0 | 112.2 | L436 E437 V440 K472 | L436-M475 HydrophobicContact CD2-CG 3.76Å; L436-M475 HydrophobicContact CD2-SD 3.91Å; L436-M475 HydrophobicContact CG-SD 4.15Å; E437-M475 HydrophobicContact CG-SD 4.26Å; V440-M475 HydrophobicContact CG2-CE 4.19Å; K472-M475 PolarHBondContact O-N 3.43Å |
| 476 | N | 44.8 | Very low | 75.5 | Confident | 103 Ų | 103 | 38.5 Ų | 38.5 | 55% | 0.551 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 143.2 | 165 | -59.3 | -72.2 | 0 | 0 | 0 | 107.2 | Y474 I478 | Y474-N476 CarbonylContact C-O 3.59Å; Y474-N476 PolarHBondContact O-N 2.75Å; N476-I478 HydrophobicContact CB-CD1 3.93Å; N476-I478 HydrophobicContact CB-CG1 3.95Å; N476-I478 PolarHBondContact O-N 3.48Å |
| 477 | S | 40.6 | Very low | 75.9 | Confident | 135 Ų | 135 | 37.7 Ų | 37.7 | 94% | 0.944 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 36.8 | -178.9 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 478 | I | 40.3 | Very low | 76.2 | Confident | 97 Ų | 97 | 37.4 Ų | 37.4 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | trans | -115.6 | 82.2 | -165.2 | -49.3 | 176.8 | 0 | 0 | 0 | 110 | N476 K570 | N476-I478 HydrophobicContact CB-CD1 3.93Å; N476-I478 HydrophobicContact CB-CG1 3.95Å; N476-I478 PolarHBondContact O-N 3.48Å; I478-K570 WeakPolarHBondContact O-CE 3.33Å; I478-K570 PolarHBondContact O-NZ 2.9Å | ||
| 479 | G | 57.5 | Low | 76.5 | Confident | 18 Ų | 18 | 37 Ų | 37 | 19% | 0.186 | 20% | 0.2 | C | C | . | . | trans | 63.5 | 116.4 | 146 | 0 | 0 | 0 | 0 | 0 | 119.5 | K570 A571 | G479-K570 WeakPolarHBondContact O-CE 3.49Å; G479-K570 PolarHBondContact O-NZ 3.13Å; G479-A571 WeakPolarHBondContact CA-O 3.14Å | ||
| 480 | D | 67.5 | Low | 76.9 | Confident | 25 Ų | 25 | 35.8 Ų | 35.8 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | trans | -56.7 | 150.2 | 170 | -97.6 | -52.9 | 0 | 0 | 0 | 113.4 | Y474 A571 | Y474-D480 WeakPolarHBondContact CE1-OD1 3.2Å; Y474-D480 PolarHBondContact OH-OD1 3.3Å; Y474-D480 VanDerWaalsContact OH-OD1 3.08Å; D480-A571 PolarHBondContact O-N 3.39Å | ||
| 481 | S | 87.3 | Confident | 77.4 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122 | 172.4 | 78.2 | 0 | 0 | 0 | 0 | 111.6 | K471 Q568 V569 | K471-S481 PolarHBondContact NZ-OG 3.47Å; S481-Q568 PolarHBondContact OG-NE2 2.92Å; S481-V569 CarbonylContact C-O 3.56Å; S481-V569 VanDerWaalsContact CA-O 3.28Å; S481-V569 WeakPolarHBondContact CA-O 3.33Å |
| 482 | L | 93.4 | Very high | 77.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 147.5 | 174.8 | -62.5 | 84.3 | 0 | 0 | 0 | 110 | L484 I518 Q568 V569 L595 T613 V618 M621 | L482-L484 HydrophobicContact CB-CD1 4.28Å; L482-L484 HydrophobicContact CB-CD2 3.8Å; L482-L484 HydrophobicContact CB-CG 3.84Å; L482-L484 HydrophobicContact CD2-CD2 4.14Å; L482-I518 HydrophobicContact CD2-CD1 3.76Å; L482-Q568 CarbonylContact O-C 3.56Å; L482-Q568 WeakPolarHBondContact O-CA 3.31Å; L482-V569 PolarHBondContact N-O 3.47Å; L482-V569 PolarHBondContact O-N 2.82Å; L482-L595 HydrophobicContact CD1-CD1 4.05Å; L482-L595 HydrophobicContact CD1-CD2 3.87Å; L482-L595 HydrophobicContact CD2-CD1 4.41Å; L482-L595 HydrophobicContact CD2-CD2 4.03Å; L482-T613 HydrophobicContact CD2-CG2 4.11Å; L482-T613 HydrophobicContact CG-CG2 4.39Å; L482-V618 HydrophobicContact CD2-CG2 4.05Å; L482-M621 HydrophobicContact CD1-SD 4.3Å; L482-M621 HydrophobicContact CD2-SD 4.07Å; L482-M621 HydrophobicContact CG-SD 3.89Å |
| 483 | D | 96.6 | Very high | 78.6 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 9% | 0.086 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 110.9 | 169.8 | -65.6 | -45 | 0 | 0 | 0 | 107.5 | V566 W567 R604 K607 A612 T613 | D483-V566 HydrophobicContact CB-CG1 3.78Å; D483-W567 CarbonylContact C-O 3.52Å; D483-W567 WeakPolarHBondContact CA-O 3.21Å; D483-R604 IonicContact OD1-CZ 2.83Å; D483-R604 IonicContact OD1-NH1 2.73Å; D483-R604 PolarHBondContact OD1-NH1 2.7Å; D483-R604 IonicContact OD2-CZ 2.95Å; D483-R604 IonicContact OD2-NH1 3.3Å; D483-R604 PolarHBondContact OD2-NH1 3.43Å; D483-K607 HydrophobicContact CB-CD 4.07Å; D483-K607 VanDerWaalsContact OD2-CE 3.24Å; D483-K607 WeakPolarHBondContact OD2-CE 3.42Å; D483-K607 IonicContact OD2-NZ 3.9Å; D483-K607 PolarHBondContact OD2-NZ 2.92Å; D483-A612 CarbonylContact O-C 3.57Å; D483-A612 WeakPolarHBondContact O-CA 3.47Å; D483-A612 WeakPolarHBondContact O-CB 3.24Å; D483-T613 PolarHBondContact N-OG1 2.87Å; D483-T613 PolarHBondContact O-N 3.21Å; D483-T613 PolarHBondContact O-OG1 3.07Å |
| 484 | L | 98.5 | Very high | 79.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.8 | -167.3 | -59.8 | 178.7 | 0 | 0 | 0 | 112.3 | L482 L505 A506 C507 I518 V566 W567 V569 L595 | L482-L484 HydrophobicContact CB-CD1 4.28Å; L482-L484 HydrophobicContact CB-CD2 3.8Å; L482-L484 HydrophobicContact CB-CG 3.84Å; L482-L484 HydrophobicContact CD2-CD2 4.14Å; L484-L505 HydrophobicContact CB-CB 4.04Å; L484-L505 HydrophobicContact CB-CD2 3.66Å; L484-L505 HydrophobicContact CB-CG 4.5Å; L484-L505 HydrophobicContact CD1-CB 4.16Å; L484-L505 HydrophobicContact CD1-CD2 4.45Å; L484-A506 WeakPolarHBondContact CA-O 3.47Å; L484-C507 HydrophobicContact CD2-CB 4.26Å; L484-I518 HydrophobicContact CD1-CG2 3.59Å; L484-I518 HydrophobicContact CD2-CG2 3.89Å; L484-I518 HydrophobicContact CG-CG2 4.35Å; L484-V566 CarbonylContact O-C 3.55Å; L484-V566 WeakPolarHBondContact O-CA 3.43Å; L484-W567 PolarHBondContact N-O 2.98Å; L484-W567 PolarHBondContact O-N 2.98Å; L484-V569 HydrophobicContact CD1-CB 4.18Å; L484-V569 HydrophobicContact CD1-CG2 4.34Å; L484-L595 HydrophobicContact CD1-CD1 3.83Å |
| 485 | V | 98.6 | Very high | 81 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 135.1 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | L487 L505 A506 Y515 P563 V566 P609 A612 | V485-L487 HydrophobicContact CB-CD2 4.44Å; V485-L487 HydrophobicContact CG1-CD2 4.08Å; V485-L505 CarbonylContact O-C 3.55Å; V485-L505 VanDerWaalsContact O-CA 3.24Å; V485-L505 WeakPolarHBondContact O-CA 3.45Å; V485-A506 PolarHBondContact N-O 2.96Å; V485-A506 PolarHBondContact O-N 3.12Å; V485-Y515 HydrophobicContact CB-CD1 4.02Å; V485-Y515 HydrophobicContact CB-CE1 4.26Å; V485-Y515 HydrophobicContact CG1-CD1 4.26Å; V485-Y515 HydrophobicContact CG1-CE1 4.26Å; V485-Y515 HydrophobicContact CG2-CD1 3.74Å; V485-Y515 HydrophobicContact CG2-CE1 3.64Å; V485-P563 HydrophobicContact CG1-CB 3.62Å; V485-V566 HydrophobicContact CG2-CG2 4.4Å; V485-P609 HydrophobicContact CG1-CB 4.26Å; V485-P609 HydrophobicContact CG2-CB 4.16Å; V485-P609 VanDerWaalsContact CG2-O 3.3Å; V485-P609 WeakPolarHBondContact CG2-O 3.13Å; V485-A612 HydrophobicContact CG2-CB 3.72Å |
| 486 | V | 98.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 121.7 | 174.2 | -168.7 | 0 | 0 | 0 | 0 | 110 | F503 L505 F537 F561 Q565 W567 | V486-F503 HydrophobicContact CG1-CB 4.19Å; V486-F503 HydrophobicContact CG1-CD1 3.96Å; V486-F503 HydrophobicContact CG1-CG 4.47Å; V486-L505 HydrophobicContact CG2-CD2 4.09Å; V486-L505 HydrophobicContact CG2-CG 4.38Å; V486-F537 HydrophobicContact CB-CE1 4.04Å; V486-F537 HydrophobicContact CB-CE2 4.26Å; V486-F537 HydrophobicContact CB-CZ 3.55Å; V486-F537 HydrophobicContact CG1-CE1 4.14Å; V486-F537 HydrophobicContact CG1-CE2 4Å; V486-F537 HydrophobicContact CG1-CZ 3.7Å; V486-F537 HydrophobicContact CG2-CE2 4.24Å; V486-F537 HydrophobicContact CG2-CZ 3.76Å; V486-F561 HydrophobicContact CG1-CD2 4.01Å; V486-F561 HydrophobicContact CG1-CE2 4.36Å; V486-Q565 PolarHBondContact N-O 2.91Å; V486-W567 HydrophobicContact CG2-CD2 3.42Å; V486-W567 VanDerWaalsContact CG2-CD2 3.42Å; V486-W567 HydrophobicContact CG2-CE3 3.71Å; V486-W567 HydrophobicContact CG2-CG 3.79Å; V486-W567 HydrophobicContact CG2-CH2 4.3Å; V486-W567 HydrophobicContact CG2-CZ2 4.08Å; V486-W567 HydrophobicContact CG2-CZ3 4.09Å |
| 487 | L | 98.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -22.2 | -178.7 | -57.4 | -166.5 | 0 | 0 | 0 | 113.9 | V485 L504 A506 Y515 Y549 W560 F561 | V485-L487 HydrophobicContact CB-CD2 4.44Å; V485-L487 HydrophobicContact CG1-CD2 4.08Å; L487-L504 PolarHBondContact N-O 2.85Å; L487-A506 HydrophobicContact CD1-CB 3.52Å; L487-A506 HydrophobicContact CD2-CB 4.2Å; L487-A506 HydrophobicContact CG-CB 3.79Å; L487-Y515 HydrophobicContact CD2-CD2 4.48Å; L487-Y515 HydrophobicContact CD2-CG 4.15Å; L487-Y549 HydrophobicContact CB-CD2 4.4Å; L487-Y549 HydrophobicContact CB-CE2 4.18Å; L487-Y549 HydrophobicContact CD1-CD1 4.35Å; L487-Y549 HydrophobicContact CD1-CD2 4.29Å; L487-Y549 HydrophobicContact CD1-CG 4.11Å; L487-Y549 HydrophobicContact CD2-CD1 4.11Å; L487-Y549 HydrophobicContact CD2-CE1 3.74Å; L487-Y549 HydrophobicContact CD2-CE2 4.19Å; L487-Y549 HydrophobicContact CD2-CG 4.5Å; L487-W560 HydrophobicContact CB-CZ3 4.41Å; L487-F561 PolarHBondContact O-N 2.94Å |
| 488 | G | 98.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 169.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | F503 L504 H559 F561 | G488-F503 CarbonylContact O-C 3.58Å; G488-F503 VanDerWaalsContact O-CA 3.3Å; G488-F503 WeakPolarHBondContact O-CA 3.47Å; G488-L504 PolarHBondContact O-N 3.09Å; G488-H559 CarbonylContact C-O 3.47Å; G488-H559 WeakPolarHBondContact CA-O 3.16Å; G488-F561 VanDerWaalsContact CA-CD2 3.43Å |
| 489 | G | 97.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | N558 H559 F561 | G489-N558 PolarHBondContact O-N 2.9Å; G489-N558 VanDerWaalsContact O-N 3.09Å; G489-H559 PolarHBondContact N-O 2.84Å; G489-H559 PolarHBondContact O-N 2.9Å; G489-H559 VanDerWaalsContact O-N 3.12Å; G489-F561 VanDerWaalsContact N-CZ 3.29Å |
| 490 | Y | 97.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128.9 | 172.6 | -58.5 | -95.2 | 0 | 0 | 0 | 108.4 | G492 Y500 G501 G502 L504 K520 L555 P557 N558 | Y490-G492 PolarHBondContact O-N 2.94Å; Y490-Y500 CarbonylContact O-C 3.36Å; Y490-Y500 WeakPolarHBondContact O-CA 3.31Å; Y490-Y500 WeakPolarHBondContact O-CB 3.25Å; Y490-G501 PolarHBondContact O-N 3.34Å; Y490-G502 PolarHBondContact N-O 3.27Å; Y490-L504 HydrophobicContact CE2-CB 4.02Å; Y490-K520 HydrophobicContact CD2-CD 3.99Å; Y490-K520 VanDerWaalsContact CD2-CE 3.46Å; Y490-K520 HydrophobicContact CD2-CG 4.14Å; Y490-K520 HydrophobicContact CE1-CD 4.21Å; Y490-K520 VanDerWaalsContact CE1-NZ 3.31Å; Y490-K520 HydrophobicContact CE2-CB 4.46Å; Y490-K520 HydrophobicContact CE2-CD 3.57Å; Y490-K520 HydrophobicContact CE2-CG 3.69Å; Y490-K520 HydrophobicContact CG-CD 4.48Å; Y490-L555 PolarHBondContact OH-O 2.94Å; Y490-P557 HydrophobicContact CD1-CB 4.49Å; Y490-P557 HydrophobicContact CD2-CB 4.46Å; Y490-P557 HydrophobicContact CE1-CB 4.36Å; Y490-P557 HydrophobicContact CE2-CB 4.3Å; Y490-N558 WeakPolarHBondContact CA-OD1 3.47Å |
| 491 | L | 95.7 | Very high | 92.2 | Very high | 88 Ų | 88 | 39.2 Ų | 39.2 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 135.6 | -179.5 | -68.4 | 170.9 | 0 | 0 | 0 | 110.4 | Y500 N558 | L491-Y500 HydrophobicContact CD2-CD1 4.25Å; L491-Y500 HydrophobicContact CD2-CE1 4.02Å; L491-N558 HydrophobicContact CD1-CB 3.99Å; L491-N558 HydrophobicContact CG-CB 3.78Å; L491-N558 PolarHBondContact N-OD1 2.96Å |
| 492 | G | 84.8 | Confident | 92.6 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 151.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y490 R496 V499 | Y490-G492 PolarHBondContact O-N 2.94Å; G492-R496 CarbonylContact C-O 3.58Å; G492-R496 VanDerWaalsContact CA-O 3.28Å; G492-R496 WeakPolarHBondContact CA-O 3.49Å; G492-V499 PolarHBondContact N-O 2.89Å |
| 493 | T | 84.3 | Confident | 92.8 | Very high | 121 Ų | 121 | 38.6 Ų | 38.6 | 74% | 0.742 | 23% | 0.231 | S | C | * | . | trans | -117.8 | 161.4 | 177.5 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | K495 R496 | T493-K495 PolarHBondContact O-N 3.11Å; T493-R496 PolarHBondContact O-N 3.45Å; T493-R496 VanDerWaalsContact O-N 3.07Å | ||
| 494 | G | 86.9 | Confident | 92.9 | Very high | 61 Ų | 61 | 37.9 Ų | 37.9 | 63% | 0.629 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | 58.4 | -124.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R496 T497 | G494-R496 PolarHBondContact O-N 3.14Å; G494-R496 VanDerWaalsContact O-N 3.13Å; G494-T497 PolarHBondContact N-OG1 2.63Å; G494-T497 WeakPolarHBondContact O-CB 3.22Å; G494-T497 PolarHBondContact O-N 2.93Å; G494-T497 VanDerWaalsContact O-N 3.13Å; G494-T497 PolarHBondContact O-OG1 3.46Å |
| 495 | K | 82.5 | Confident | 92.9 | Very high | 224 Ų | 224 | 37.9 Ų | 37.9 | 97% | 0.974 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -59.6 | -20.9 | 177.9 | -66.7 | -171 | 177.7 | -173.9 | 0 | 114.4 | T493 | T493-K495 PolarHBondContact O-N 3.11Š|
| 496 | R | 82.5 | Confident | 92.9 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 28% | 0.275 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -98 | 14.8 | 179.1 | -64.8 | -174.1 | 176.8 | 175.4 | -3.7 | 113.7 | G492 T493 G494 G498 V499 G501 G522 L530 | G492-R496 CarbonylContact C-O 3.58Å; G492-R496 VanDerWaalsContact CA-O 3.28Å; G492-R496 WeakPolarHBondContact CA-O 3.49Å; T493-R496 PolarHBondContact O-N 3.45Å; T493-R496 VanDerWaalsContact O-N 3.07Å; G494-R496 PolarHBondContact O-N 3.14Å; G494-R496 VanDerWaalsContact O-N 3.13Å; R496-G498 PolarHBondContact O-N 3.49Å; R496-V499 HydrophobicContact CB-CG2 3.98Å; R496-V499 WeakPolarHBondContact O-CG2 3.33Å; R496-V499 PolarHBondContact O-N 2.81Å; R496-G501 PolarHBondContact NH1-O 3.22Å; R496-G522 PolarHBondContact NH1-O 2.98Å; R496-G522 PolarHBondContact NH2-O 3.37Å; R496-L530 HydrophobicContact CG-CD1 4.12Å |
| 497 | T | 87.7 | Confident | 92.9 | Very high | 104 Ų | 104 | 37.9 Ų | 37.9 | 64% | 0.638 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 131.2 | 177 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | G494 | G494-T497 PolarHBondContact N-OG1 2.63Å; G494-T497 WeakPolarHBondContact O-CB 3.22Å; G494-T497 PolarHBondContact O-N 2.93Å; G494-T497 VanDerWaalsContact O-N 3.13Å; G494-T497 PolarHBondContact O-OG1 3.46Å |
| 498 | G | 88.2 | Confident | 92.8 | Very high | 52 Ų | 52 | 38.6 Ų | 38.6 | 54% | 0.536 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -13.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R496 K538 | R496-G498 PolarHBondContact O-N 3.49Å; G498-K538 PolarHBondContact O-NZ 3.47Å; G498-K538 VanDerWaalsContact O-NZ 3.14Å |
| 499 | V | 94.4 | Very high | 92.7 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 9% | 0.085 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -115 | -180 | 169.4 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | G492 R496 L530 A534 | G492-V499 PolarHBondContact N-O 2.89Å; R496-V499 HydrophobicContact CB-CG2 3.98Å; R496-V499 WeakPolarHBondContact O-CG2 3.33Å; R496-V499 PolarHBondContact O-N 2.81Å; V499-L530 HydrophobicContact CB-CB 4.5Å; V499-L530 HydrophobicContact CG2-CB 4.18Å; V499-A534 HydrophobicContact CB-CB 3.84Å; V499-A534 HydrophobicContact CG1-CB 3.86Å |
| 500 | Y | 95.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.2 | 171.9 | -60.6 | -66.2 | 0 | 0 | 0 | 110.2 | Y490 L491 G502 F503 A534 F537 H559 F561 | Y490-Y500 CarbonylContact O-C 3.36Å; Y490-Y500 WeakPolarHBondContact O-CA 3.31Å; Y490-Y500 WeakPolarHBondContact O-CB 3.25Å; L491-Y500 HydrophobicContact CD2-CD1 4.25Å; L491-Y500 HydrophobicContact CD2-CE1 4.02Å; Y500-G502 VanDerWaalsContact C-N 3.3Å; Y500-F503 AromaticContact CD2-CE1 3.79Å; Y500-F503 HydrophobicContact CD2-CE1 3.79Å; Y500-F503 HydrophobicContact CD2-CZ 4.1Å; Y500-F503 HydrophobicContact CG-CE1 4.03Å; Y500-F503 HydrophobicContact CG-CZ 4.24Å; Y500-A534 HydrophobicContact CD2-CB 4.07Å; Y500-A534 HydrophobicContact CE2-CB 4.33Å; Y500-F537 HydrophobicContact CE2-CB 4.1Å; Y500-H559 HydrophobicContact CE1-CB 4.34Å; Y500-H559 AromaticContact CE1-ND1 3.45Å; Y500-H559 WeakPolarHBondContact CE1-ND1 3.17Å; Y500-H559 AromaticContact CZ-ND1 3.63Å; Y500-H559 PolarHBondContact OH-ND1 2.94Å; Y500-F561 HydrophobicContact CD1-CZ 4.36Å; Y500-F561 HydrophobicContact CD2-CZ 4.03Å; Y500-F561 HydrophobicContact CE1-CE1 4.36Å; Y500-F561 AromaticContact CE1-CZ 3.9Å; Y500-F561 HydrophobicContact CE1-CZ 3.9Å; Y500-F561 HydrophobicContact CE2-CE1 4.11Å; Y500-F561 HydrophobicContact CE2-CE2 4.46Å; Y500-F561 AromaticContact CE2-CZ 3.53Å; Y500-F561 HydrophobicContact CE2-CZ 3.53Å; Y500-F561 HydrophobicContact CG-CZ 4.43Å; Y500-F561 AromaticContact CZ-CE1 3.76Å; Y500-F561 AromaticContact CZ-CZ 3.47Å; Y500-F561 VanDerWaalsContact CZ-CZ 3.47Å |
| 501 | G | 89.8 | Confident | 91.7 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -18.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y490 R496 | Y490-G501 PolarHBondContact O-N 3.34Å; R496-G501 PolarHBondContact NH1-O 3.22Å |
| 502 | G | 94.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 175 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y490 Y500 V521 | Y490-G502 PolarHBondContact N-O 3.27Å; Y500-G502 VanDerWaalsContact C-N 3.3Å; G502-V521 CarbonylContact C-O 3.48Å; G502-V521 WeakPolarHBondContact CA-O 3.36Å |
| 503 | F | 98.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.9 | -171.5 | -59.5 | -95.7 | 0 | 0 | 0 | 110.7 | V486 G488 Y500 L505 K520 V521 F525 L530 H533 F537 F561 W567 | V486-F503 HydrophobicContact CG1-CB 4.19Å; V486-F503 HydrophobicContact CG1-CD1 3.96Å; V486-F503 HydrophobicContact CG1-CG 4.47Å; G488-F503 CarbonylContact O-C 3.58Å; G488-F503 VanDerWaalsContact O-CA 3.3Å; G488-F503 WeakPolarHBondContact O-CA 3.47Å; Y500-F503 AromaticContact CD2-CE1 3.79Å; Y500-F503 HydrophobicContact CD2-CE1 3.79Å; Y500-F503 HydrophobicContact CD2-CZ 4.1Å; Y500-F503 HydrophobicContact CG-CE1 4.03Å; Y500-F503 HydrophobicContact CG-CZ 4.24Å; F503-L505 HydrophobicContact CB-CD1 3.97Å; F503-K520 CarbonylContact O-C 3.47Å; F503-K520 VanDerWaalsContact O-CA 3.26Å; F503-K520 WeakPolarHBondContact O-CA 3.49Å; F503-V521 HydrophobicContact CB-CG1 4.1Å; F503-V521 HydrophobicContact CD2-CG1 4.5Å; F503-V521 PolarHBondContact N-O 3.04Å; F503-V521 PolarHBondContact O-N 2.92Å; F503-F525 HydrophobicContact CD2-CE2 4.28Å; F503-F525 AromaticContact CD2-CZ 3.91Å; F503-F525 HydrophobicContact CD2-CZ 3.91Å; F503-F525 HydrophobicContact CE2-CE1 4.32Å; F503-F525 HydrophobicContact CE2-CE2 4.42Å; F503-F525 HydrophobicContact CE2-CZ 4.07Å; F503-L530 HydrophobicContact CE2-CD2 4.43Å; F503-H533 HydrophobicContact CZ-CB 4.09Å; F503-F537 HydrophobicContact CE1-CD2 4.02Å; F503-F537 HydrophobicContact CE1-CE2 4.43Å; F503-F561 HydrophobicContact CD1-CE2 4.07Å; F503-F561 HydrophobicContact CE1-CE2 4.28Å; F503-W567 HydrophobicContact CB-CH2 4.36Å; F503-W567 HydrophobicContact CB-CZ3 3.92Å; F503-W567 AromaticContact CD1-CH2 3.73Å; F503-W567 HydrophobicContact CD1-CH2 3.73Å; F503-W567 HydrophobicContact CD1-CZ3 4.16Å; F503-W567 AromaticContact CD2-CH2 3.58Å; F503-W567 HydrophobicContact CD2-CH2 3.58Å; F503-W567 AromaticContact CD2-CZ3 3.64Å; F503-W567 HydrophobicContact CD2-CZ3 3.64Å; F503-W567 AromaticContact CE1-CH2 3.8Å; F503-W567 HydrophobicContact CE1-CH2 3.8Å; F503-W567 AromaticContact CE2-CH2 3.67Å; F503-W567 HydrophobicContact CE2-CH2 3.67Å; F503-W567 HydrophobicContact CE2-CZ3 4.17Å; F503-W567 AromaticContact CG-CH2 3.62Å; F503-W567 HydrophobicContact CG-CH2 3.62Å; F503-W567 AromaticContact CG-CZ3 3.64Å; F503-W567 HydrophobicContact CG-CZ3 3.64Å; F503-W567 AromaticContact CZ-CH2 3.77Å; F503-W567 HydrophobicContact CZ-CH2 3.77Å |
| 504 | L | 98.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.5 | 169.6 | -178.1 | 67.1 | 0 | 0 | 0 | 108.7 | L487 G488 Y490 L555 W560 | L487-L504 PolarHBondContact N-O 2.85Å; G488-L504 PolarHBondContact O-N 3.09Å; Y490-L504 HydrophobicContact CE2-CB 4.02Å; L504-L555 HydrophobicContact CD1-CB 4.31Å; L504-L555 HydrophobicContact CD1-CD1 4.43Å; L504-W560 HydrophobicContact CD2-CH2 3.97Å; L504-W560 HydrophobicContact CD2-CZ3 3.82Å |
| 505 | L | 98.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 157.6 | 179.1 | -70.2 | 97.8 | 0 | 0 | 0 | 112.8 | L484 V485 V486 F503 S517 I518 C519 V521 W567 V569 | L484-L505 HydrophobicContact CB-CB 4.04Å; L484-L505 HydrophobicContact CB-CD2 3.66Å; L484-L505 HydrophobicContact CB-CG 4.5Å; L484-L505 HydrophobicContact CD1-CB 4.16Å; L484-L505 HydrophobicContact CD1-CD2 4.45Å; V485-L505 CarbonylContact O-C 3.55Å; V485-L505 VanDerWaalsContact O-CA 3.24Å; V485-L505 WeakPolarHBondContact O-CA 3.45Å; V486-L505 HydrophobicContact CG2-CD2 4.09Å; V486-L505 HydrophobicContact CG2-CG 4.38Å; F503-L505 HydrophobicContact CB-CD1 3.97Å; L505-S517 WeakPolarHBondContact O-CA 3.44Å; L505-I518 PolarHBondContact O-N 2.81Å; L505-C519 PolarHBondContact N-O 3.37Å; L505-C519 PolarHBondContact O-N 3.1Å; L505-V521 HydrophobicContact CD1-CB 4.02Å; L505-V521 HydrophobicContact CD1-CG1 3.28Å; L505-W567 HydrophobicContact CD1-CE3 4.41Å; L505-W567 HydrophobicContact CD2-CB 4.14Å; L505-W567 HydrophobicContact CD2-CE3 3.95Å; L505-V569 HydrophobicContact CD2-CG2 3.99Å |
| 506 | A | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L484 V485 L487 Q516 | L484-A506 WeakPolarHBondContact CA-O 3.47Å; V485-A506 PolarHBondContact N-O 2.96Å; V485-A506 PolarHBondContact O-N 3.12Å; L487-A506 HydrophobicContact CD1-CB 3.52Å; L487-A506 HydrophobicContact CD2-CB 4.2Å; L487-A506 HydrophobicContact CG-CB 3.79Å; A506-Q516 CarbonylContact C-O 3.6Å; A506-Q516 WeakPolarHBondContact CA-O 2.95Å; A506-Q516 VanDerWaalsContact CB-C 3.46Å; A506-Q516 WeakPolarHBondContact CB-O 3.32Å |
| 507 | C | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 168.6 | 158.3 | 61.9 | 0 | 0 | 0 | 0 | 109.7 | L484 Y515 Q516 A582 T613 V618 | L484-C507 HydrophobicContact CD2-CB 4.26Å; C507-Y515 CarbonylContact O-C 3.53Å; C507-Y515 WeakPolarHBondContact O-CA 3.32Å; C507-Q516 PolarHBondContact N-O 3.33Å; C507-Q516 PolarHBondContact O-N 3.4Å; C507-Q516 PolarHBondContact SG-O 3.43Å; C507-A582 WeakPolarHBondContact SG-CB 3.33Å; C507-T613 WeakPolarHBondContact CA-O 3.18Å; C507-T613 VanDerWaalsContact CB-O 3.24Å; C507-T613 WeakPolarHBondContact CB-O 3.49Å; C507-V618 HydrophobicContact CB-CG2 3.86Å |
| 508 | Y | 97.5 | Very high | 94.3 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 6% | 0.063 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 141 | 176.2 | -179.1 | -120.3 | 0 | 0 | 0 | 111 | P510 E514 Y515 E610 T613 T614 A615 | Y508-P510 HydrophobicContact CD1-CG 4.07Å; Y508-P510 HydrophobicContact CE1-CB 4.15Å; Y508-P510 HydrophobicContact CE1-CG 4.17Å; Y508-E514 CarbonylContact C-O 3.57Å; Y508-E514 VanDerWaalsContact CD2-O 3.28Å; Y508-E514 WeakPolarHBondContact CD2-O 3.4Å; Y508-Y515 AromaticContact CD2-CD1 3.73Å; Y508-Y515 HydrophobicContact CD2-CD1 3.73Å; Y508-Y515 AromaticContact CD2-CE1 3.44Å; Y508-Y515 HydrophobicContact CD2-CE1 3.44Å; Y508-Y515 VanDerWaalsContact CD2-CE1 3.44Å; Y508-Y515 HydrophobicContact CD2-CG 4.49Å; Y508-Y515 AromaticContact CD2-CZ 4Å; Y508-Y515 HydrophobicContact CE2-CE1 4.15Å; Y508-Y515 HydrophobicContact CG-CD1 4.41Å; Y508-Y515 HydrophobicContact CG-CE1 4.11Å; Y508-E610 HydrophobicContact CD1-CB 4.31Å; Y508-E610 VanDerWaalsContact CD1-O 3.3Å; Y508-E610 WeakPolarHBondContact CD1-O 2.99Å; Y508-E610 HydrophobicContact CE1-CB 3.92Å; Y508-E610 HydrophobicContact CE1-CG 4.37Å; Y508-E610 HydrophobicContact CE2-CG 4.48Å; Y508-T613 PolarHBondContact N-O 2.85Å; Y508-T614 CarbonylContact O-C 3.56Å; Y508-T614 WeakPolarHBondContact O-CA 3.24Å; Y508-A615 PolarHBondContact O-N 2.81Å |
| 509 | D | 94.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 18.7 Ų | 18.7 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109 | 170.2 | -169.1 | -47.9 | 0 | 0 | 0 | 109 | E511 A512 E513 E514 Q516 A615 | D509-E511 VanDerWaalsContact C-N 3.28Å; D509-E511 PolarHBondContact O-N 2.93Å; D509-E511 PolarHBondContact OD1-N 3.09Å; D509-A512 HydrophobicContact CB-CB 4.27Å; D509-A512 PolarHBondContact OD1-N 3.28Å; D509-E513 WeakPolarHBondContact O-CA 3.28Å; D509-E513 PolarHBondContact O-N 2.99Å; D509-E514 HydrophobicContact CB-CG 3.82Å; D509-E514 PolarHBondContact N-O 3.06Å; D509-E514 PolarHBondContact O-N 2.3Å; D509-Q516 PolarHBondContact OD2-NE2 3.29Å; D509-A615 HydrophobicContact CB-CB 4.23Å |
| 510 | P | 89.4 | Confident | 94.8 | Very high | 59 Ų | 59 | 23 Ų | 23 | 38% | 0.383 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -18 | -179.8 | -19.3 | 32.9 | 0 | 0 | 0 | 114.9 | Y508 T614 | Y508-P510 HydrophobicContact CD1-CG 4.07Å; Y508-P510 HydrophobicContact CE1-CB 4.15Å; Y508-P510 HydrophobicContact CE1-CG 4.17Å; P510-T614 HydrophobicContact CG-CG2 3.49Å; P510-T614 VanDerWaalsContact CG-CG2 3.49Å |
| 511 | E | 85.5 | Confident | 94.7 | Very high | 155 Ų | 155 | 23 Ų | 23 | 72% | 0.724 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -43.4 | -178.3 | -58.4 | -156.9 | 144 | 0 | 0 | 111.4 | R32 D509 | R32-E511 VanDerWaalsContact CZ-O 3.26Å; R32-E511 PolarHBondContact NH1-O 3.41Å; D509-E511 VanDerWaalsContact C-N 3.28Å; D509-E511 PolarHBondContact O-N 2.93Å; D509-E511 PolarHBondContact OD1-N 3.09Å |
| 512 | A | 85.9 | Confident | 94.7 | Very high | 42 Ų | 42 | 23 Ų | 23 | 35% | 0.347 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -14.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D509 E514 | D509-A512 HydrophobicContact CB-CB 4.27Å; D509-A512 PolarHBondContact OD1-N 3.28Å; A512-E514 HydrophobicContact CB-CG 3.63Å |
| 513 | E | 88 | Confident | 94.3 | Very high | 19 Ų | 19 | 26.4 Ų | 26.4 | 9% | 0.089 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 42.2 | -177.5 | -64.5 | 173.6 | -180 | 0 | 0 | 113 | R32 A182 Q184 S185 D509 | R32-E513 IonicContact CZ-OE1 3.11Å; R32-E513 IonicContact NE-OE1 3.68Å; R32-E513 PolarHBondContact NE-OE1 3.2Å; R32-E513 VanDerWaalsContact NE-OE1 3.12Å; R32-E513 IonicContact NE-OE2 3.37Å; R32-E513 PolarHBondContact NE-OE2 3.08Å; R32-E513 IonicContact NH2-OE1 3.52Å; R32-E513 PolarHBondContact NH2-OE1 2.84Å; A182-E513 HydrophobicContact CB-CB 4.45Å; A182-E513 HydrophobicContact CB-CG 4.14Å; Q184-E513 VanDerWaalsContact CB-OE1 3.25Å; Q184-E513 WeakPolarHBondContact CB-OE1 3.39Å; S185-E513 WeakPolarHBondContact CB-OE2 3.3Å; S185-E513 PolarHBondContact N-OE1 3.4Å; S185-E513 VanDerWaalsContact OG-CD 3.22Å; S185-E513 PolarHBondContact OG-OE1 2.71Å; S185-E513 VanDerWaalsContact OG-OE1 3.12Å; S185-E513 PolarHBondContact OG-OE2 1.85Å; D509-E513 WeakPolarHBondContact O-CA 3.28Å; D509-E513 PolarHBondContact O-N 2.99Å |
| 514 | E | 93.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 28.5 Ų | 28.5 | 16% | 0.164 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 158.4 | -172.9 | 60.5 | 176.4 | -149.4 | 0 | 0 | 113.7 | Y508 D509 A512 Q516 Y548 R550 | Y508-E514 CarbonylContact C-O 3.57Å; Y508-E514 VanDerWaalsContact CD2-O 3.28Å; Y508-E514 WeakPolarHBondContact CD2-O 3.4Å; D509-E514 HydrophobicContact CB-CG 3.82Å; D509-E514 PolarHBondContact N-O 3.06Å; D509-E514 PolarHBondContact O-N 2.3Å; A512-E514 HydrophobicContact CB-CG 3.63Å; E514-Q516 HydrophobicContact CG-CG 4.19Å; E514-Q516 WeakPolarHBondContact OE1-CG 3.37Å; E514-Q516 PolarHBondContact OE1-NE2 3.03Å; E514-Y548 CarbonylContact C-O 3.38Å; E514-Y548 WeakPolarHBondContact CA-O 3.47Å; E514-Y548 WeakPolarHBondContact CB-O 3.27Å; E514-R550 HydrophobicContact CB-CG 4.21Å; E514-R550 HydrophobicContact CG-CG 4.09Å; E514-R550 WeakPolarHBondContact OE1-CG 3.35Å; E514-R550 WeakPolarHBondContact OE2-CD 3.04Å; E514-R550 WeakPolarHBondContact OE2-CG 3.08Å; E514-R550 IonicContact OE2-NE 3.43Å |
| 515 | Y | 97.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 110.9 | 174 | -59.1 | -71.4 | 0 | 0 | 0 | 110 | V485 L487 C507 Y508 Y548 Y549 R550 P563 P609 | V485-Y515 HydrophobicContact CB-CD1 4.02Å; V485-Y515 HydrophobicContact CB-CE1 4.26Å; V485-Y515 HydrophobicContact CG1-CD1 4.26Å; V485-Y515 HydrophobicContact CG1-CE1 4.26Å; V485-Y515 HydrophobicContact CG2-CD1 3.74Å; V485-Y515 HydrophobicContact CG2-CE1 3.64Å; L487-Y515 HydrophobicContact CD2-CD2 4.48Å; L487-Y515 HydrophobicContact CD2-CG 4.15Å; C507-Y515 CarbonylContact O-C 3.53Å; C507-Y515 WeakPolarHBondContact O-CA 3.32Å; Y508-Y515 AromaticContact CD2-CD1 3.73Å; Y508-Y515 HydrophobicContact CD2-CD1 3.73Å; Y508-Y515 AromaticContact CD2-CE1 3.44Å; Y508-Y515 HydrophobicContact CD2-CE1 3.44Å; Y508-Y515 VanDerWaalsContact CD2-CE1 3.44Å; Y508-Y515 HydrophobicContact CD2-CG 4.49Å; Y508-Y515 AromaticContact CD2-CZ 4Å; Y508-Y515 HydrophobicContact CE2-CE1 4.15Å; Y508-Y515 HydrophobicContact CG-CD1 4.41Å; Y508-Y515 HydrophobicContact CG-CE1 4.11Å; Y515-Y548 AromaticContact CD2-CD2 3.75Å; Y515-Y548 HydrophobicContact CD2-CD2 3.75Å; Y515-Y548 HydrophobicContact CD2-CE2 4.02Å; Y515-Y548 AromaticContact CE2-CD2 3.85Å; Y515-Y548 HydrophobicContact CE2-CD2 3.85Å; Y515-Y548 AromaticContact CE2-CE2 3.8Å; Y515-Y548 HydrophobicContact CE2-CE2 3.8Å; Y515-Y548 PolarHBondContact N-O 3.43Å; Y515-Y549 AromaticContact CD2-CD1 3.87Å; Y515-Y549 HydrophobicContact CD2-CD1 3.87Å; Y515-Y549 AromaticContact CD2-CE1 3.68Å; Y515-Y549 HydrophobicContact CD2-CE1 3.68Å; Y515-Y549 HydrophobicContact CE2-CE1 4.38Å; Y515-Y549 HydrophobicContact CG-CE1 4.5Å; Y515-R550 PolarHBondContact O-N 2.86Å; Y515-P563 HydrophobicContact CD2-CB 4.22Å; Y515-P563 HydrophobicContact CD2-CG 4.45Å; Y515-P563 HydrophobicContact CE2-CB 3.74Å; Y515-P563 HydrophobicContact CE2-CG 3.78Å; Y515-P609 HydrophobicContact CE1-CB 4.09Å; Y515-P609 VanDerWaalsContact OH-CB 3.23Å; Y515-P609 WeakPolarHBondContact OH-CB 3.49Å |
| 516 | Q | 98 | Very high | 92.8 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 118.3 | -177.7 | -63.5 | 167.7 | -5.1 | 0 | 0 | 111 | A506 C507 D509 E514 I518 R550 A582 A615 | A506-Q516 CarbonylContact C-O 3.6Å; A506-Q516 WeakPolarHBondContact CA-O 2.95Å; A506-Q516 VanDerWaalsContact CB-C 3.46Å; A506-Q516 WeakPolarHBondContact CB-O 3.32Å; C507-Q516 PolarHBondContact N-O 3.33Å; C507-Q516 PolarHBondContact O-N 3.4Å; C507-Q516 PolarHBondContact SG-O 3.43Å; D509-Q516 PolarHBondContact OD2-NE2 3.29Å; E514-Q516 HydrophobicContact CG-CG 4.19Å; E514-Q516 WeakPolarHBondContact OE1-CG 3.37Å; E514-Q516 PolarHBondContact OE1-NE2 3.03Å; Q516-I518 PolarHBondContact O-N 3.34Å; Q516-R550 HydrophobicContact CG-CB 4.15Å; Q516-R550 HydrophobicContact CG-CG 4.32Å; Q516-A582 HydrophobicContact CB-CB 4.4Å; Q516-A615 VanDerWaalsContact OE1-CB 3.26Å |
| 517 | S | 98.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 135.9 | -178 | 71.9 | 0 | 0 | 0 | 0 | 111.7 | L505 R550 H580 F581 A582 | L505-S517 WeakPolarHBondContact O-CA 3.44Å; S517-R550 WeakPolarHBondContact CB-O 3.39Å; S517-R550 PolarHBondContact N-O 2.85Å; S517-R550 PolarHBondContact OG-O 2.76Å; S517-H580 WeakPolarHBondContact O-CB 3.32Å; S517-H580 PolarHBondContact OG-ND1 2.96Å; S517-F581 PolarHBondContact O-N 2.98Å; S517-A582 PolarHBondContact O-N 3.49Å; S517-A582 VanDerWaalsContact O-N 3.14Å |
| 518 | I | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | -27.7 | -173.9 | -162 | 179.4 | 0 | 0 | 0 | 113.1 | L482 L484 L505 Q516 H580 A582 S594 L595 V618 | L482-I518 HydrophobicContact CD2-CD1 3.76Å; L484-I518 HydrophobicContact CD1-CG2 3.59Å; L484-I518 HydrophobicContact CD2-CG2 3.89Å; L484-I518 HydrophobicContact CG-CG2 4.35Å; L505-I518 PolarHBondContact O-N 2.81Å; Q516-I518 PolarHBondContact O-N 3.34Å; I518-H580 PolarHBondContact N-ND1 2.92Å; I518-A582 HydrophobicContact CB-CB 3.73Å; I518-A582 HydrophobicContact CD1-CB 4.05Å; I518-A582 HydrophobicContact CG1-CB 3.64Å; I518-S594 WeakPolarHBondContact O-CA 3.43Å; I518-L595 HydrophobicContact CD1-CD2 3.95Å; I518-L595 HydrophobicContact CD1-CG 4.15Å; I518-L595 HydrophobicContact CG1-CD2 4.3Å; I518-L595 HydrophobicContact CG1-CG 4.12Å; I518-L595 PolarHBondContact O-N 2.66Å; I518-V618 HydrophobicContact CD1-CB 4.34Å; I518-V618 HydrophobicContact CD1-CG1 3.68Å; I518-V618 HydrophobicContact CD1-CG2 3.62Å; I518-V618 HydrophobicContact CG1-CG1 4.5Å |
| 519 | C | 96.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 162.2 | 176.6 | 74 | 0 | 0 | 0 | 0 | 113.9 | L505 H580 L595 P598 | L505-C519 PolarHBondContact N-O 3.37Å; L505-C519 PolarHBondContact O-N 3.1Å; C519-H580 PolarHBondContact N-CE1 3Å; C519-L595 HydrophobicContact CB-CB 3.92Å; C519-L595 HydrophobicContact CB-CD1 4.24Å; C519-L595 HydrophobicContact CB-CG 4.12Å; C519-P598 HydrophobicContact CB-CB 4.33Å; C519-P598 HydrophobicContact CB-CG 4.17Å |
| 520 | K | 96.6 | Very high | 91.7 | Very high | 104 Ų | 104 | 48.1 Ų | 48.1 | 45% | 0.452 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.8 | 157.6 | 178.3 | 174.8 | -179.9 | 165.2 | 0 | 108.8 | Y490 F503 P598 | Y490-K520 HydrophobicContact CD2-CD 3.99Å; Y490-K520 VanDerWaalsContact CD2-CE 3.46Å; Y490-K520 HydrophobicContact CD2-CG 4.14Å; Y490-K520 HydrophobicContact CE1-CD 4.21Å; Y490-K520 VanDerWaalsContact CE1-NZ 3.31Å; Y490-K520 HydrophobicContact CE2-CB 4.46Å; Y490-K520 HydrophobicContact CE2-CD 3.57Å; Y490-K520 HydrophobicContact CE2-CG 3.69Å; Y490-K520 HydrophobicContact CG-CD 4.48Å; F503-K520 CarbonylContact O-C 3.47Å; F503-K520 VanDerWaalsContact O-CA 3.26Å; F503-K520 WeakPolarHBondContact O-CA 3.49Å; K520-P598 WeakPolarHBondContact O-CG 3.5Å |
| 521 | V | 94.1 | Very high | 92 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.2 | 176.7 | 75.8 | 0 | 0 | 0 | 0 | 110.7 | G502 F503 L505 F525 W567 P598 | G502-V521 CarbonylContact C-O 3.48Å; G502-V521 WeakPolarHBondContact CA-O 3.36Å; F503-V521 HydrophobicContact CB-CG1 4.1Å; F503-V521 HydrophobicContact CD2-CG1 4.5Å; F503-V521 PolarHBondContact N-O 3.04Å; F503-V521 PolarHBondContact O-N 2.92Å; L505-V521 HydrophobicContact CD1-CB 4.02Å; L505-V521 HydrophobicContact CD1-CG1 3.28Å; V521-F525 HydrophobicContact CG1-CE2 4.07Å; V521-F525 HydrophobicContact CG1-CZ 3.89Å; V521-F525 HydrophobicContact CG2-CE2 4.27Å; V521-W567 HydrophobicContact CG1-CE3 4.47Å; V521-W567 HydrophobicContact CG1-CZ3 4.15Å; V521-P598 HydrophobicContact CB-CB 4.39Å; V521-P598 HydrophobicContact CB-CG 4.48Å; V521-P598 HydrophobicContact CG2-CB 4.16Å; V521-P598 HydrophobicContact CG2-CG 4.48Å |
| 522 | G | 89.1 | Confident | 92.4 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 22% | 0.216 | 26% | 0.264 | C | S | . | . | trans | -140.1 | 9.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R496 | R496-G522 PolarHBondContact NH1-O 2.98Å; R496-G522 PolarHBondContact NH2-O 3.37Å | ||
| 523 | T | 86.6 | Confident | 93 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 44% | 0.442 | 25% | 0.248 | S | C | . | . | trans | -138 | 152.6 | -165.6 | 34.1 | 0 | 0 | 0 | 0 | 110 | P598 R599 F600 | T523-P598 PolarHBondContact OG1-O 3.41Å; T523-R599 WeakPolarHBondContact O-CA 3.39Å; T523-F600 PolarHBondContact O-N 3.21Å | ||
| 524 | G | 85.8 | Confident | 93.2 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 92.2 | 2.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 525 | F | 89.3 | Confident | 93.3 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 10% | 0.101 | 26% | 0.257 | C | S | . | . | trans | -99 | 140.3 | 176.5 | -53.1 | -84.6 | 0 | 0 | 0 | 111.4 | F503 V521 D529 L530 W567 F600 | F503-F525 HydrophobicContact CD2-CE2 4.28Å; F503-F525 AromaticContact CD2-CZ 3.91Å; F503-F525 HydrophobicContact CD2-CZ 3.91Å; F503-F525 HydrophobicContact CE2-CE1 4.32Å; F503-F525 HydrophobicContact CE2-CE2 4.42Å; F503-F525 HydrophobicContact CE2-CZ 4.07Å; V521-F525 HydrophobicContact CG1-CE2 4.07Å; V521-F525 HydrophobicContact CG1-CZ 3.89Å; V521-F525 HydrophobicContact CG2-CE2 4.27Å; F525-D529 HydrophobicContact CB-CB 4.15Å; F525-D529 HydrophobicContact CD1-CB 4.22Å; F525-L530 HydrophobicContact CB-CD2 3.63Å; F525-L530 HydrophobicContact CB-CG 3.73Å; F525-L530 HydrophobicContact CD1-CD2 4.3Å; F525-L530 HydrophobicContact CD2-CD2 3.98Å; F525-L530 HydrophobicContact CG-CD2 3.71Å; F525-L530 HydrophobicContact CG-CG 4.35Å; F525-W567 HydrophobicContact CE1-CE3 4.22Å; F525-W567 AromaticContact CE1-CH2 3.6Å; F525-W567 HydrophobicContact CE1-CH2 3.6Å; F525-W567 HydrophobicContact CE1-CZ2 4.29Å; F525-W567 AromaticContact CE1-CZ3 3.59Å; F525-W567 HydrophobicContact CE1-CZ3 3.59Å; F525-W567 HydrophobicContact CZ-CE3 4.12Å; F525-W567 AromaticContact CZ-CH2 3.83Å; F525-W567 HydrophobicContact CZ-CH2 3.83Å; F525-W567 AromaticContact CZ-CZ3 3.41Å; F525-W567 HydrophobicContact CZ-CZ3 3.41Å; F525-W567 VanDerWaalsContact CZ-CZ3 3.41Å; F525-F600 HydrophobicContact CD1-CB 3.97Å; F525-F600 AromaticContact CD1-CD1 3.55Å; F525-F600 HydrophobicContact CD1-CD1 3.55Å; F525-F600 HydrophobicContact CD1-CD2 4.46Å; F525-F600 HydrophobicContact CD1-CE1 4.08Å; F525-F600 AromaticContact CD1-CG 3.75Å; F525-F600 HydrophobicContact CD1-CG 3.75Å; F525-F600 HydrophobicContact CD2-CB 4.35Å; F525-F600 HydrophobicContact CE1-CB 3.49Å; F525-F600 VanDerWaalsContact CE1-CB 3.49Å; F525-F600 AromaticContact CE1-CD1 3.62Å; F525-F600 HydrophobicContact CE1-CD1 3.62Å; F525-F600 AromaticContact CE1-CD2 3.69Å; F525-F600 HydrophobicContact CE1-CD2 3.69Å; F525-F600 HydrophobicContact CE1-CE1 4.21Å; F525-F600 HydrophobicContact CE1-CE2 4.27Å; F525-F600 AromaticContact CE1-CG 3.31Å; F525-F600 HydrophobicContact CE1-CG 3.31Å; F525-F600 HydrophobicContact CE1-CZ 4.49Å; F525-F600 HydrophobicContact CE2-CB 3.91Å; F525-F600 HydrophobicContact CG-CB 4.37Å; F525-F600 HydrophobicContact CG-CD1 4.34Å; F525-F600 HydrophobicContact CZ-CB 3.44Å; F525-F600 VanDerWaalsContact CZ-CB 3.44Å; F525-F600 HydrophobicContact CZ-CD1 4.45Å; F525-F600 HydrophobicContact CZ-CD2 4.2Å; F525-F600 AromaticContact CZ-CG 3.81Å; F525-F600 HydrophobicContact CZ-CG 3.81Å | ||
| 526 | T | 89.3 | Confident | 93.2 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 47% | 0.466 | 27% | 0.27 | S | S | . | . | trans | -76.7 | 166.8 | 158 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | E528 D529 L530 | T526-E528 PolarHBondContact O-N 3.38Å; T526-D529 WeakPolarHBondContact CB-OD2 3.17Å; T526-D529 WeakPolarHBondContact CG2-OD2 3.12Å; T526-D529 PolarHBondContact N-OD2 3.47Å; T526-D529 PolarHBondContact O-N 2.93Å; T526-D529 PolarHBondContact OG1-N 3.4Å; T526-D529 VanDerWaalsContact OG1-N 3.09Å; T526-D529 PolarHBondContact OG1-OD2 2.8Å; T526-L530 WeakPolarHBondContact O-CG 3.43Å; T526-L530 PolarHBondContact O-N 2.93Å | ||
| 527 | D | 88.3 | Confident | 93.1 | Very high | 133 Ų | 133 | 50.7 Ų | 50.7 | 71% | 0.711 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.6 | -31.3 | 174.9 | -67.9 | -28.5 | 0 | 0 | 0 | 111.8 | L530 Q531 | D527-L530 PolarHBondContact O-N 2.83Å; D527-Q531 PolarHBondContact O-N 2.73Å; D527-Q531 VanDerWaalsContact O-N 3.12Å |
| 528 | E | 92.3 | Very high | 92.8 | Very high | 164 Ų | 164 | 55 Ų | 55 | 77% | 0.766 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | 172.6 | -65.2 | -175 | -174.9 | 0 | 0 | 112.1 | T526 L530 Q531 K532 | T526-E528 PolarHBondContact O-N 3.38Å; E528-L530 PolarHBondContact O-N 3.48Å; E528-Q531 PolarHBondContact O-N 2.78Å; E528-K532 VanDerWaalsContact O-CB 3.26Å; E528-K532 WeakPolarHBondContact O-CB 3.4Å; E528-K532 PolarHBondContact O-N 3.3Å |
| 529 | D | 91.5 | Very high | 92.4 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 174.8 | -63.9 | -54.6 | 0 | 0 | 0 | 110.9 | F525 T526 Q531 K532 H533 | F525-D529 HydrophobicContact CB-CB 4.15Å; F525-D529 HydrophobicContact CD1-CB 4.22Å; T526-D529 WeakPolarHBondContact CB-OD2 3.17Å; T526-D529 WeakPolarHBondContact CG2-OD2 3.12Å; T526-D529 PolarHBondContact N-OD2 3.47Å; T526-D529 PolarHBondContact O-N 2.93Å; T526-D529 PolarHBondContact OG1-N 3.4Å; T526-D529 VanDerWaalsContact OG1-N 3.09Å; T526-D529 PolarHBondContact OG1-OD2 2.8Å; D529-Q531 VanDerWaalsContact C-N 3.33Å; D529-Q531 PolarHBondContact O-N 2.86Å; D529-K532 PolarHBondContact O-N 3.26Å; D529-H533 WeakPolarHBondContact O-CB 3.37Å; D529-H533 PolarHBondContact O-CD2 3.32Å; D529-H533 VanDerWaalsContact O-CG 3.29Å; D529-H533 PolarHBondContact O-N 3.3Å |
| 530 | L | 93 | Very high | 92.2 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 179.7 | -70.1 | 176.7 | 0 | 0 | 0 | 111.9 | R496 V499 F503 F525 T526 D527 E528 A534 | R496-L530 HydrophobicContact CG-CD1 4.12Å; V499-L530 HydrophobicContact CB-CB 4.5Å; V499-L530 HydrophobicContact CG2-CB 4.18Å; F503-L530 HydrophobicContact CE2-CD2 4.43Å; F525-L530 HydrophobicContact CB-CD2 3.63Å; F525-L530 HydrophobicContact CB-CG 3.73Å; F525-L530 HydrophobicContact CD1-CD2 4.3Å; F525-L530 HydrophobicContact CD2-CD2 3.98Å; F525-L530 HydrophobicContact CG-CD2 3.71Å; F525-L530 HydrophobicContact CG-CG 4.35Å; T526-L530 WeakPolarHBondContact O-CG 3.43Å; T526-L530 PolarHBondContact O-N 2.93Å; D527-L530 PolarHBondContact O-N 2.83Å; E528-L530 PolarHBondContact O-N 3.48Å; L530-A534 WeakPolarHBondContact O-CB 3.18Å; L530-A534 PolarHBondContact O-N 3.03Å |
| 531 | Q | 94.3 | Very high | 92.1 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 41% | 0.407 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.9 | -50 | 176.7 | -173.9 | 60.3 | 46.4 | 0 | 0 | 111.3 | D527 E528 D529 H533 A534 D535 | D527-Q531 PolarHBondContact O-N 2.73Å; D527-Q531 VanDerWaalsContact O-N 3.12Å; E528-Q531 PolarHBondContact O-N 2.78Å; D529-Q531 VanDerWaalsContact C-N 3.33Å; D529-Q531 PolarHBondContact O-N 2.86Å; Q531-H533 VanDerWaalsContact C-N 3.34Å; Q531-H533 PolarHBondContact O-N 3.28Å; Q531-A534 PolarHBondContact O-N 2.73Å; Q531-D535 PolarHBondContact NE2-OD1 3.13Å; Q531-D535 VanDerWaalsContact NE2-OD1 3.11Å; Q531-D535 PolarHBondContact NE2-OD2 2.65Å; Q531-D535 PolarHBondContact O-N 2.64Å |
| 532 | K | 95.4 | Very high | 91.8 | Very high | 139 Ų | 139 | 58.4 Ų | 58.4 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56 | -45.5 | 178.3 | 179.6 | -176.3 | 176.8 | -174 | 0 | 112.3 | E528 D529 F536 | E528-K532 VanDerWaalsContact O-CB 3.26Å; E528-K532 WeakPolarHBondContact O-CB 3.4Å; E528-K532 PolarHBondContact O-N 3.3Å; D529-K532 PolarHBondContact O-N 3.26Å; K532-F536 WeakPolarHBondContact O-CB 3.14Å; K532-F536 PolarHBondContact O-N 3.22Å |
| 533 | H | 96.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.009 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72 | -37.4 | 177.8 | -68.1 | -51.5 | 0 | 0 | 0 | 112.4 | F503 D529 Q531 D535 F536 F537 W567 F600 | F503-H533 HydrophobicContact CZ-CB 4.09Å; D529-H533 WeakPolarHBondContact O-CB 3.37Å; D529-H533 PolarHBondContact O-CD2 3.32Å; D529-H533 VanDerWaalsContact O-CG 3.29Å; D529-H533 PolarHBondContact O-N 3.3Å; Q531-H533 VanDerWaalsContact C-N 3.34Å; Q531-H533 PolarHBondContact O-N 3.28Å; H533-D535 VanDerWaalsContact C-N 3.35Å; H533-D535 PolarHBondContact O-N 3.03Å; H533-F536 PolarHBondContact O-N 3.1Å; H533-F537 HydrophobicContact CB-CD2 4.38Å; H533-F537 WeakPolarHBondContact O-CB 3.18Å; H533-F537 VanDerWaalsContact O-CD2 3.27Å; H533-F537 WeakPolarHBondContact O-CD2 3.5Å; H533-F537 PolarHBondContact O-N 3.34Å; H533-W567 HydrophobicContact CB-CH2 4.46Å; H533-W567 HydrophobicContact CB-CZ2 4.08Å; H533-W567 AromaticContact CD2-CZ2 3.77Å; H533-W567 AromaticContact CE1-CE2 3.94Å; H533-W567 AromaticContact CE1-CZ2 3.73Å; H533-W567 AromaticContact CE1-NE1 3.8Å; H533-W567 AromaticContact CG-CZ2 3.53Å; H533-W567 AromaticContact ND1-CZ2 3.51Å; H533-W567 AromaticContact NE2-CZ2 3.91Å; H533-F600 AromaticContact NE2-CE1 3.94Å; H533-F600 AromaticContact NE2-CZ 3.44Å; H533-F600 WeakPolarHBondContact NE2-CZ 3.48Å |
| 534 | A | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V499 Y500 L530 Q531 F537 K538 | V499-A534 HydrophobicContact CB-CB 3.84Å; V499-A534 HydrophobicContact CG1-CB 3.86Å; Y500-A534 HydrophobicContact CD2-CB 4.07Å; Y500-A534 HydrophobicContact CE2-CB 4.33Å; L530-A534 WeakPolarHBondContact O-CB 3.18Å; L530-A534 PolarHBondContact O-N 3.03Å; Q531-A534 PolarHBondContact O-N 2.73Å; A534-F537 PolarHBondContact O-N 3.25Å; A534-K538 VanDerWaalsContact O-CB 3.31Å; A534-K538 WeakPolarHBondContact O-CB 3.15Å; A534-K538 WeakPolarHBondContact O-CD 3.39Å; A534-K538 WeakPolarHBondContact O-CG 3.42Å; A534-K538 PolarHBondContact O-N 2.94Å |
| 535 | D | 94 | Very high | 91.9 | Very high | 82 Ų | 82 | 62.4 Ų | 62.4 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.3 | -38.7 | -179 | -63.5 | -22.8 | 0 | 0 | 0 | 112.2 | Q531 H533 K538 | Q531-D535 PolarHBondContact NE2-OD1 3.13Å; Q531-D535 VanDerWaalsContact NE2-OD1 3.11Å; Q531-D535 PolarHBondContact NE2-OD2 2.65Å; Q531-D535 PolarHBondContact O-N 2.64Å; H533-D535 VanDerWaalsContact C-N 3.35Å; H533-D535 PolarHBondContact O-N 3.03Å; D535-K538 IonicContact OD1-NZ 2.78Å; D535-K538 PolarHBondContact OD1-NZ 3.01Å |
| 536 | F | 95.8 | Very high | 91.8 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 31% | 0.311 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 172.4 | 178.1 | -95.5 | 0 | 0 | 0 | 112.6 | K532 H533 A539 H540 V564 Q565 | K532-F536 WeakPolarHBondContact O-CB 3.14Å; K532-F536 PolarHBondContact O-N 3.22Å; H533-F536 PolarHBondContact O-N 3.1Å; F536-A539 PolarHBondContact O-N 3.18Å; F536-H540 AromaticContact CE1-ND1 3.98Å; F536-H540 AromaticContact CE2-CE1 3.81Å; F536-H540 AromaticContact CZ-CE1 3.79Å; F536-H540 AromaticContact CZ-ND1 3.95Å; F536-H540 PolarHBondContact O-ND1 3.5Å; F536-V564 HydrophobicContact CE1-CG2 3.81Å; F536-V564 HydrophobicContact CZ-CG2 3.93Å; F536-Q565 HydrophobicContact CE1-CB 4.04Å; F536-Q565 HydrophobicContact CZ-CB 4.5Å |
| 537 | F | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -80.1 | -24.9 | -176.8 | -77 | -63.7 | 0 | 0 | 0 | 114.1 | V486 Y500 F503 H533 A534 A539 H540 I541 F561 V564 Q565 W567 | V486-F537 HydrophobicContact CB-CE1 4.04Å; V486-F537 HydrophobicContact CB-CE2 4.26Å; V486-F537 HydrophobicContact CB-CZ 3.55Å; V486-F537 HydrophobicContact CG1-CE1 4.14Å; V486-F537 HydrophobicContact CG1-CE2 4Å; V486-F537 HydrophobicContact CG1-CZ 3.7Å; V486-F537 HydrophobicContact CG2-CE2 4.24Å; V486-F537 HydrophobicContact CG2-CZ 3.76Å; Y500-F537 HydrophobicContact CE2-CB 4.1Å; F503-F537 HydrophobicContact CE1-CD2 4.02Å; F503-F537 HydrophobicContact CE1-CE2 4.43Å; H533-F537 HydrophobicContact CB-CD2 4.38Å; H533-F537 WeakPolarHBondContact O-CB 3.18Å; H533-F537 VanDerWaalsContact O-CD2 3.27Å; H533-F537 WeakPolarHBondContact O-CD2 3.5Å; H533-F537 PolarHBondContact O-N 3.34Å; A534-F537 PolarHBondContact O-N 3.25Å; F537-A539 PolarHBondContact O-N 3.11Å; F537-H540 HydrophobicContact CD1-CB 4.45Å; F537-H540 CarbonylContact O-C 3.47Å; F537-H540 WeakPolarHBondContact O-CA 3.26Å; F537-H540 PolarHBondContact O-N 2.94Å; F537-I541 WeakPolarHBondContact O-CG1 3.12Å; F537-I541 PolarHBondContact O-N 2.91Å; F537-F561 HydrophobicContact CB-CD1 3.98Å; F537-F561 HydrophobicContact CB-CD2 3.83Å; F537-F561 HydrophobicContact CB-CE1 3.8Å; F537-F561 HydrophobicContact CB-CE2 3.61Å; F537-F561 HydrophobicContact CB-CG 4.03Å; F537-F561 HydrophobicContact CB-CZ 3.61Å; F537-F561 HydrophobicContact CD1-CB 3.84Å; F537-F561 HydrophobicContact CD1-CD1 4.3Å; F537-F561 AromaticContact CD1-CD2 3.32Å; F537-F561 HydrophobicContact CD1-CD2 3.32Å; F537-F561 AromaticContact CD1-CE2 3.92Å; F537-F561 HydrophobicContact CD1-CE2 3.92Å; F537-F561 AromaticContact CD1-CG 3.56Å; F537-F561 HydrophobicContact CD1-CG 3.56Å; F537-F561 HydrophobicContact CD2-CD2 4.26Å; F537-F561 HydrophobicContact CD2-CE2 4.11Å; F537-F561 HydrophobicContact CE1-CB 4.29Å; F537-F561 AromaticContact CE1-CD2 3.89Å; F537-F561 HydrophobicContact CE1-CD2 3.89Å; F537-F561 HydrophobicContact CE1-CG 4.32Å; F537-F561 HydrophobicContact CG-CD1 4.48Å; F537-F561 AromaticContact CG-CD2 3.55Å; F537-F561 HydrophobicContact CG-CD2 3.55Å; F537-F561 AromaticContact CG-CE2 3.62Å; F537-F561 HydrophobicContact CG-CE2 3.62Å; F537-F561 HydrophobicContact CG-CG 4.03Å; F537-F561 HydrophobicContact CG-CZ 4.17Å; F537-V564 HydrophobicContact CE1-CG2 4.32Å; F537-Q565 HydrophobicContact CE1-CB 4.43Å; F537-Q565 HydrophobicContact CZ-CB 3.95Å; F537-W567 HydrophobicContact CE2-CH2 4.31Å; F537-W567 AromaticContact CE2-CZ2 3.67Å; F537-W567 HydrophobicContact CE2-CZ2 3.67Å; F537-W567 HydrophobicContact CZ-CZ2 4.46Å |
| 538 | K | 92.6 | Very high | 91.6 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.3 | -33.2 | 167.5 | -78.5 | 163.1 | -166.8 | 165.3 | 0 | 111.7 | G498 A534 D535 H540 | G498-K538 PolarHBondContact O-NZ 3.47Å; G498-K538 VanDerWaalsContact O-NZ 3.14Å; A534-K538 VanDerWaalsContact O-CB 3.31Å; A534-K538 WeakPolarHBondContact O-CB 3.15Å; A534-K538 WeakPolarHBondContact O-CD 3.39Å; A534-K538 WeakPolarHBondContact O-CG 3.42Å; A534-K538 PolarHBondContact O-N 2.94Å; D535-K538 IonicContact OD1-NZ 2.78Å; D535-K538 PolarHBondContact OD1-NZ 3.01Å; K538-H540 VanDerWaalsContact C-N 3.27Å; K538-H540 PolarHBondContact O-N 2.9Å |
| 539 | A | 89.5 | Confident | 91.8 | Very high | 82 Ų | 82 | 52.4 Ų | 52.4 | 68% | 0.678 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -4.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F536 F537 | F536-A539 PolarHBondContact O-N 3.18Å; F537-A539 PolarHBondContact O-N 3.11Å |
| 540 | H | 92.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 13% | 0.125 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 16.4 | -175 | -70.1 | 98.2 | 0 | 0 | 0 | 113.5 | K176 F536 F537 K538 F561 E562 V564 | K176-H540 PolarHBondContact NZ-NE2 3.26Å; K176-H540 VanDerWaalsContact NZ-NE2 3.18Å; F536-H540 AromaticContact CE1-ND1 3.98Å; F536-H540 AromaticContact CE2-CE1 3.81Å; F536-H540 AromaticContact CZ-CE1 3.79Å; F536-H540 AromaticContact CZ-ND1 3.95Å; F536-H540 PolarHBondContact O-ND1 3.5Å; F537-H540 HydrophobicContact CD1-CB 4.45Å; F537-H540 CarbonylContact O-C 3.47Å; F537-H540 WeakPolarHBondContact O-CA 3.26Å; F537-H540 PolarHBondContact O-N 2.94Å; K538-H540 VanDerWaalsContact C-N 3.27Å; K538-H540 PolarHBondContact O-N 2.9Å; H540-F561 CarbonylContact O-C 3.39Å; H540-F561 VanDerWaalsContact O-CA 3.28Å; H540-F561 WeakPolarHBondContact O-CA 3.42Å; H540-E562 PolarHBondContact O-N 3.02Å; H540-V564 HydrophobicContact CB-CG2 4.17Å |
| 541 | I | 92.9 | Very high | 92.1 | Very high | 56 Ų | 56 | 58.3 Ų | 58.3 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 136.9 | 177.8 | -61.5 | 176.6 | 0 | 0 | 0 | 111 | F537 H559 W560 F561 | F537-I541 WeakPolarHBondContact O-CG1 3.12Å; F537-I541 PolarHBondContact O-N 2.91Å; I541-H559 HydrophobicContact CD1-CB 4.23Å; I541-H559 HydrophobicContact CG1-CB 4.26Å; I541-H559 HydrophobicContact CG2-CB 4.37Å; I541-W560 CarbonylContact C-O 3.5Å; I541-W560 VanDerWaalsContact CA-O 3.29Å; I541-W560 WeakPolarHBondContact CA-O 3.15Å; I541-F561 HydrophobicContact CG1-CD1 4.11Å; I541-F561 HydrophobicContact CG1-CE1 4.05Å |
| 542 | I | 88.7 | Confident | 92.1 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.2 | 167.6 | 60.7 | -179.4 | 0 | 0 | 0 | 109.9 | V544 R546 Y549 W560 F561 E562 | I542-V544 VanDerWaalsContact C-N 3.34Å; I542-V544 VanDerWaalsContact CD1-O 3.27Å; I542-V544 WeakPolarHBondContact CD1-O 3.4Å; I542-V544 WeakPolarHBondContact CG1-O 3.49Å; I542-V544 PolarHBondContact O-N 3.29Å; I542-R546 HydrophobicContact CD1-CG 3.82Å; I542-Y549 HydrophobicContact CD1-CE2 4.04Å; I542-W560 HydrophobicContact CD1-CB 4.15Å; I542-W560 HydrophobicContact CG1-CB 3.5Å; I542-W560 VanDerWaalsContact CG1-CB 3.5Å; I542-W560 PolarHBondContact N-O 2.84Å; I542-F561 WeakPolarHBondContact CD1-O 3.25Å; I542-E562 VanDerWaalsContact CG2-CD 3.48Å; I542-E562 HydrophobicContact CG2-CG 3.64Å |
| 543 | A | 85.7 | Confident | 92.1 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 69% | 0.686 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -70.9 | -29.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 544 | V | 86.9 | Confident | 92 | Very high | 103 Ų | 103 | 57.4 Ų | 57.4 | 62% | 0.624 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -138.3 | 151.1 | 179.4 | -67.6 | 0 | 0 | 0 | 0 | 108.9 | I542 | I542-V544 VanDerWaalsContact C-N 3.34Å; I542-V544 VanDerWaalsContact CD1-O 3.27Å; I542-V544 WeakPolarHBondContact CD1-O 3.4Å; I542-V544 WeakPolarHBondContact CG1-O 3.49Å; I542-V544 PolarHBondContact O-N 3.29Å |
| 545 | P | 91.8 | Very high | 92.1 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | trans | -61.5 | 152 | 174.5 | 25 | -30.6 | 0 | 0 | 0 | 110.6 | Y549 Y551 W560 | P545-Y549 HydrophobicContact CB-CD2 3.85Å; P545-Y551 HydrophobicContact CB-CE1 3.98Å; P545-Y551 HydrophobicContact CG-CE1 3.89Å; P545-Y551 WeakPolarHBondContact CG-OH 3.45Å; P545-W560 HydrophobicContact CB-CD2 3.75Å; P545-W560 HydrophobicContact CB-CE3 3.92Å; P545-W560 HydrophobicContact CB-CG 4.29Å; P545-W560 HydrophobicContact CB-CH2 4.14Å; P545-W560 HydrophobicContact CB-CZ2 3.95Å; P545-W560 HydrophobicContact CB-CZ3 4.12Å; P545-W560 HydrophobicContact CG-CD2 4.32Å; P545-W560 HydrophobicContact CG-CZ2 4.01Å | ||
| 546 | R | 87.2 | Confident | 92.2 | Very high | 50 Ų | 50 | 60 Ų | 60 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | trans | -70.2 | 149.5 | 174.9 | -60 | -63.1 | -173.3 | -176.4 | 1.4 | 109.9 | I542 Y548 Y549 E562 | I542-R546 HydrophobicContact CD1-CG 3.82Å; R546-Y548 HydrophobicContact CB-CD1 4.03Å; R546-Y548 HydrophobicContact CB-CD2 3.91Å; R546-Y548 HydrophobicContact CB-CE1 3.7Å; R546-Y548 HydrophobicContact CB-CE2 3.57Å; R546-Y548 HydrophobicContact CB-CG 4.13Å; R546-Y548 VanDerWaalsContact CB-CZ 3.47Å; R546-Y548 HydrophobicContact CG-CE1 4.15Å; R546-Y548 HydrophobicContact CG-CE2 3.85Å; R546-Y548 WeakPolarHBondContact CG-OH 3.3Å; R546-Y548 PolarHBondContact O-N 3.07Å; R546-Y548 VanDerWaalsContact O-N 3.16Å; R546-Y549 HydrophobicContact CB-CD1 3.81Å; R546-Y549 HydrophobicContact CB-CD2 4.31Å; R546-Y549 HydrophobicContact CB-CE1 3.85Å; R546-Y549 HydrophobicContact CB-CE2 4.36Å; R546-Y549 HydrophobicContact CB-CG 4.05Å; R546-Y549 HydrophobicContact CG-CD1 4.41Å; R546-Y549 HydrophobicContact CG-CE1 3.95Å; R546-Y549 HydrophobicContact CG-CE2 4.21Å; R546-Y549 WeakPolarHBondContact O-CB 3.49Å; R546-Y549 PolarHBondContact O-N 2.8Å; R546-E562 IonicContact CZ-OE1 3.3Å; R546-E562 IonicContact CZ-OE2 3.59Å; R546-E562 VanDerWaalsContact CZ-OE2 3.31Å; R546-E562 IonicContact NE-OE2 2.89Å; R546-E562 PolarHBondContact NE-OE2 3.26Å; R546-E562 IonicContact NH2-OE1 3.62Å; R546-E562 PolarHBondContact NH2-OE1 2.65Å; R546-E562 IonicContact NH2-OE2 3.52Å; R546-E562 PolarHBondContact NH2-OE2 3.35Å | ||
| 547 | A | 83.9 | Confident | 92.3 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P30 Y549 | P30-A547 HydrophobicContact CB-CB 4.23Å; A547-Y549 VanDerWaalsContact C-N 3.28Å; A547-Y549 PolarHBondContact O-N 2.83Å |
| 548 | Y | 89.2 | Confident | 92.3 | Very high | 55 Ų | 55 | 61.2 Ų | 61.2 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 19.6 | 174.3 | 54.2 | -99.2 | 0 | 0 | 0 | 113.5 | E514 Y515 R546 P563 | E514-Y548 CarbonylContact C-O 3.38Å; E514-Y548 WeakPolarHBondContact CA-O 3.47Å; E514-Y548 WeakPolarHBondContact CB-O 3.27Å; Y515-Y548 AromaticContact CD2-CD2 3.75Å; Y515-Y548 HydrophobicContact CD2-CD2 3.75Å; Y515-Y548 HydrophobicContact CD2-CE2 4.02Å; Y515-Y548 AromaticContact CE2-CD2 3.85Å; Y515-Y548 HydrophobicContact CE2-CD2 3.85Å; Y515-Y548 AromaticContact CE2-CE2 3.8Å; Y515-Y548 HydrophobicContact CE2-CE2 3.8Å; Y515-Y548 PolarHBondContact N-O 3.43Å; R546-Y548 HydrophobicContact CB-CD1 4.03Å; R546-Y548 HydrophobicContact CB-CD2 3.91Å; R546-Y548 HydrophobicContact CB-CE1 3.7Å; R546-Y548 HydrophobicContact CB-CE2 3.57Å; R546-Y548 HydrophobicContact CB-CG 4.13Å; R546-Y548 VanDerWaalsContact CB-CZ 3.47Å; R546-Y548 HydrophobicContact CG-CE1 4.15Å; R546-Y548 HydrophobicContact CG-CE2 3.85Å; R546-Y548 WeakPolarHBondContact CG-OH 3.3Å; R546-Y548 PolarHBondContact O-N 3.07Å; R546-Y548 VanDerWaalsContact O-N 3.16Å; Y548-P563 HydrophobicContact CE2-CG 4.26Å |
| 549 | Y | 94.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.3 | 167.7 | -70 | 0.3 | 0 | 0 | 0 | 109.6 | L487 Y515 I542 P545 R546 A547 W560 F561 P563 | L487-Y549 HydrophobicContact CB-CD2 4.4Å; L487-Y549 HydrophobicContact CB-CE2 4.18Å; L487-Y549 HydrophobicContact CD1-CD1 4.35Å; L487-Y549 HydrophobicContact CD1-CD2 4.29Å; L487-Y549 HydrophobicContact CD1-CG 4.11Å; L487-Y549 HydrophobicContact CD2-CD1 4.11Å; L487-Y549 HydrophobicContact CD2-CE1 3.74Å; L487-Y549 HydrophobicContact CD2-CE2 4.19Å; L487-Y549 HydrophobicContact CD2-CG 4.5Å; Y515-Y549 AromaticContact CD2-CD1 3.87Å; Y515-Y549 HydrophobicContact CD2-CD1 3.87Å; Y515-Y549 AromaticContact CD2-CE1 3.68Å; Y515-Y549 HydrophobicContact CD2-CE1 3.68Å; Y515-Y549 HydrophobicContact CE2-CE1 4.38Å; Y515-Y549 HydrophobicContact CG-CE1 4.5Å; I542-Y549 HydrophobicContact CD1-CE2 4.04Å; P545-Y549 HydrophobicContact CB-CD2 3.85Å; R546-Y549 HydrophobicContact CB-CD1 3.81Å; R546-Y549 HydrophobicContact CB-CD2 4.31Å; R546-Y549 HydrophobicContact CB-CE1 3.85Å; R546-Y549 HydrophobicContact CB-CE2 4.36Å; R546-Y549 HydrophobicContact CB-CG 4.05Å; R546-Y549 HydrophobicContact CG-CD1 4.41Å; R546-Y549 HydrophobicContact CG-CE1 3.95Å; R546-Y549 HydrophobicContact CG-CE2 4.21Å; R546-Y549 WeakPolarHBondContact O-CB 3.49Å; R546-Y549 PolarHBondContact O-N 2.8Å; A547-Y549 VanDerWaalsContact C-N 3.28Å; A547-Y549 PolarHBondContact O-N 2.83Å; Y549-W560 AromaticContact CD2-CE3 3.96Å; Y549-W560 HydrophobicContact CD2-CE3 3.96Å; Y549-W560 HydrophobicContact CD2-CZ3 4.06Å; Y549-W560 HydrophobicContact CE2-CE3 4.2Å; Y549-F561 PolarHBondContact OH-O 3.39Å; Y549-P563 HydrophobicContact CE1-CB 4.33Å; Y549-P563 HydrophobicContact CE1-CG 4.18Å; Y549-P563 WeakPolarHBondContact OH-CD 3.5Å; Y549-P563 VanDerWaalsContact OH-N 3.11Å |
| 550 | R | 95 | Very high | 92.9 | Very high | 109 Ų | 109 | 56.5 Ų | 56.5 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 110.9 | 178.8 | -56.7 | -62.6 | -67.2 | -171.6 | -1.1 | 110.8 | E514 Y515 Q516 S517 F581 | E514-R550 HydrophobicContact CB-CG 4.21Å; E514-R550 HydrophobicContact CG-CG 4.09Å; E514-R550 WeakPolarHBondContact OE1-CG 3.35Å; E514-R550 WeakPolarHBondContact OE2-CD 3.04Å; E514-R550 WeakPolarHBondContact OE2-CG 3.08Å; E514-R550 IonicContact OE2-NE 3.43Å; Y515-R550 PolarHBondContact O-N 2.86Å; Q516-R550 HydrophobicContact CG-CB 4.15Å; Q516-R550 HydrophobicContact CG-CG 4.32Å; S517-R550 WeakPolarHBondContact CB-O 3.39Å; S517-R550 PolarHBondContact N-O 2.85Å; S517-R550 PolarHBondContact OG-O 2.76Å; R550-F581 HydrophobicContact CB-CB 4.41Å; R550-F581 HydrophobicContact CB-CD2 4.19Å |
| 551 | Y | 95.9 | Very high | 93.1 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | trans | -152.3 | 151.7 | -176.6 | 72 | -74.6 | 0 | 0 | 0 | 109.7 | P545 W560 F581 | P545-Y551 HydrophobicContact CB-CE1 3.98Å; P545-Y551 HydrophobicContact CG-CE1 3.89Å; P545-Y551 WeakPolarHBondContact CG-OH 3.45Å; Y551-W560 AromaticContact CD1-CH2 3.7Å; Y551-W560 HydrophobicContact CD1-CH2 3.7Å; Y551-W560 HydrophobicContact CD1-CZ2 4.38Å; Y551-W560 HydrophobicContact CD1-CZ3 4.42Å; Y551-W560 AromaticContact CD2-CH2 3.5Å; Y551-W560 HydrophobicContact CD2-CH2 3.5Å; Y551-W560 AromaticContact CD2-CZ2 3.94Å; Y551-W560 HydrophobicContact CD2-CZ2 3.94Å; Y551-W560 AromaticContact CE1-CH2 3.7Å; Y551-W560 HydrophobicContact CE1-CH2 3.7Å; Y551-W560 AromaticContact CE1-CZ2 3.93Å; Y551-W560 HydrophobicContact CE1-CZ2 3.93Å; Y551-W560 AromaticContact CE2-CH2 3.5Å; Y551-W560 HydrophobicContact CE2-CH2 3.5Å; Y551-W560 VanDerWaalsContact CE2-CH2 3.5Å; Y551-W560 AromaticContact CE2-CZ2 3.43Å; Y551-W560 HydrophobicContact CE2-CZ2 3.43Å; Y551-W560 VanDerWaalsContact CE2-CZ2 3.43Å; Y551-W560 AromaticContact CG-CH2 3.64Å; Y551-W560 HydrophobicContact CG-CH2 3.64Å; Y551-W560 HydrophobicContact CG-CZ2 4.42Å; Y551-W560 AromaticContact CZ-CH2 3.62Å; Y551-W560 AromaticContact CZ-CZ2 3.45Å; Y551-W560 VanDerWaalsContact CZ-CZ2 3.45Å; Y551-F581 VanDerWaalsContact O-CE2 3.31Å; Y551-F581 WeakPolarHBondContact O-CE2 3.4Å | ||
| 552 | D | 95.8 | Very high | 93.1 | Very high | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | trans | -77.7 | 144.1 | 168 | 178.6 | -105.8 | 0 | 0 | 0 | 111.6 | S554 L555 I579 F581 | D552-S554 PolarHBondContact O-N 3.31Å; D552-S554 VanDerWaalsContact O-N 3.11Å; D552-S554 WeakPolarHBondContact OD1-CB 3.39Å; D552-S554 PolarHBondContact OD1-N 2.9Å; D552-S554 PolarHBondContact OD1-OG 2.87Å; D552-L555 WeakPolarHBondContact O-CB 3.31Å; D552-L555 PolarHBondContact O-N 2.97Å; D552-I579 HydrophobicContact CB-CB 3.94Å; D552-I579 HydrophobicContact CB-CG2 4.28Å; D552-I579 WeakPolarHBondContact CB-O 3.26Å; D552-I579 PolarHBondContact N-O 2.67Å; D552-F581 HydrophobicContact CB-CE1 4.26Å; D552-F581 HydrophobicContact CB-CZ 3.85Å | ||
| 553 | S | 93.9 | Very high | 93.4 | Very high | 88 Ų | 88 | 53.2 Ų | 53.2 | 62% | 0.615 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -55.5 | -29.5 | -178.6 | 63.7 | 0 | 0 | 0 | 0 | 114.6 | L555 Q556 | S553-L555 PolarHBondContact O-N 3.31Å; S553-Q556 WeakPolarHBondContact O-CB 3.48Å; S553-Q556 PolarHBondContact O-N 3.07Å |
| 554 | S | 95.1 | Very high | 93.8 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 57% | 0.566 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -67.3 | -17.5 | 176.1 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | D552 | D552-S554 PolarHBondContact O-N 3.31Å; D552-S554 VanDerWaalsContact O-N 3.11Å; D552-S554 WeakPolarHBondContact OD1-CB 3.39Å; D552-S554 PolarHBondContact OD1-N 2.9Å; D552-S554 PolarHBondContact OD1-OG 2.87Å |
| 555 | L | 95.7 | Very high | 94.2 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -93.4 | 13.3 | 177.4 | -62.5 | 176.1 | 0 | 0 | 0 | 113.4 | Y490 L504 D552 S553 P557 I579 H580 | Y490-L555 PolarHBondContact OH-O 2.94Å; L504-L555 HydrophobicContact CD1-CB 4.31Å; L504-L555 HydrophobicContact CD1-CD1 4.43Å; D552-L555 WeakPolarHBondContact O-CB 3.31Å; D552-L555 PolarHBondContact O-N 2.97Å; S553-L555 PolarHBondContact O-N 3.31Å; L555-P557 VanDerWaalsContact O-CD 3.29Å; L555-P557 WeakPolarHBondContact O-CD 3.23Å; L555-P557 VanDerWaalsContact O-N 3.14Å; L555-I579 HydrophobicContact CD1-CB 4.31Å; L555-I579 HydrophobicContact CD1-CG1 4.37Å; L555-I579 WeakPolarHBondContact CD1-O 3.33Å; L555-I579 HydrophobicContact CD2-CD1 3.91Å; L555-I579 HydrophobicContact CD2-CG1 4.47Å; L555-I579 HydrophobicContact CG-CB 4.42Å; L555-I579 HydrophobicContact CG-CD1 4.35Å; L555-H580 WeakPolarHBondContact CD1-CE1 3.19Å; L555-H580 VanDerWaalsContact CD1-ND1 3.31Å; L555-H580 WeakPolarHBondContact CD1-ND1 3.41Å |
| 556 | Q | 96.7 | Very high | 94.5 | Very high | 121 Ų | 121 | 46.1 Ų | 46.1 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | trans | -59 | 118.2 | -180 | -177.8 | 171.9 | -28.8 | 0 | 0 | 111 | S553 W560 | S553-Q556 WeakPolarHBondContact O-CB 3.48Å; S553-Q556 PolarHBondContact O-N 3.07Å; Q556-W560 HydrophobicContact CG-CZ2 4.24Å | ||
| 557 | P | 97.1 | Very high | 95 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | trans | -74.1 | 164.7 | 173.6 | 33.1 | -33.1 | 0 | 0 | 0 | 110.6 | Y490 L555 H559 W560 | Y490-P557 HydrophobicContact CD1-CB 4.49Å; Y490-P557 HydrophobicContact CD2-CB 4.46Å; Y490-P557 HydrophobicContact CE1-CB 4.36Å; Y490-P557 HydrophobicContact CE2-CB 4.3Å; L555-P557 VanDerWaalsContact O-CD 3.29Å; L555-P557 WeakPolarHBondContact O-CD 3.23Å; L555-P557 VanDerWaalsContact O-N 3.14Å; P557-H559 VanDerWaalsContact C-N 3.34Å; P557-W560 VanDerWaalsContact CD-CH2 3.5Å; P557-W560 HydrophobicContact CG-CD2 3.74Å; P557-W560 HydrophobicContact CG-CE3 3.8Å; P557-W560 HydrophobicContact CG-CG 4.35Å; P557-W560 HydrophobicContact CG-CH2 4.08Å; P557-W560 HydrophobicContact CG-CZ2 4.06Å; P557-W560 HydrophobicContact CG-CZ3 3.97Å | ||
| 558 | N | 96.7 | Very high | 95.6 | Very high | 94 Ų | 94 | 40.8 Ų | 40.8 | 50% | 0.503 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -66.7 | -39.1 | 175.1 | -63.9 | 104.5 | 0 | 0 | 0 | 111.6 | G489 Y490 L491 | G489-N558 PolarHBondContact O-N 2.9Å; G489-N558 VanDerWaalsContact O-N 3.09Å; Y490-N558 WeakPolarHBondContact CA-OD1 3.47Å; L491-N558 HydrophobicContact CD1-CB 3.99Å; L491-N558 HydrophobicContact CG-CB 3.78Å; L491-N558 PolarHBondContact N-OD1 2.96Å |
| 559 | H | 97.1 | Very high | 95.7 | Very high | 62 Ų | 62 | 38.1 Ų | 38.1 | 29% | 0.287 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.5 | 173.4 | -59 | 151.6 | 0 | 0 | 0 | 110.2 | G488 G489 Y500 I541 P557 F561 | G488-H559 CarbonylContact C-O 3.47Å; G488-H559 WeakPolarHBondContact CA-O 3.16Å; G489-H559 PolarHBondContact N-O 2.84Å; G489-H559 PolarHBondContact O-N 2.9Å; G489-H559 VanDerWaalsContact O-N 3.12Å; Y500-H559 HydrophobicContact CE1-CB 4.34Å; Y500-H559 AromaticContact CE1-ND1 3.45Å; Y500-H559 WeakPolarHBondContact CE1-ND1 3.17Å; Y500-H559 AromaticContact CZ-ND1 3.63Å; Y500-H559 PolarHBondContact OH-ND1 2.94Å; I541-H559 HydrophobicContact CD1-CB 4.23Å; I541-H559 HydrophobicContact CG1-CB 4.26Å; I541-H559 HydrophobicContact CG2-CB 4.37Å; P557-H559 VanDerWaalsContact C-N 3.34Å; H559-F561 HydrophobicContact CB-CD1 4.44Å; H559-F561 HydrophobicContact CB-CE1 3.71Å; H559-F561 HydrophobicContact CB-CZ 4.4Å |
| 560 | W | 97.4 | Very high | 95.3 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 5% | 0.045 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 147.7 | 166.4 | -67.5 | 103.1 | 0 | 0 | 0 | 110 | L487 L504 I541 I542 P545 Y549 Y551 Q556 P557 | L487-W560 HydrophobicContact CB-CZ3 4.41Å; L504-W560 HydrophobicContact CD2-CH2 3.97Å; L504-W560 HydrophobicContact CD2-CZ3 3.82Å; I541-W560 CarbonylContact C-O 3.5Å; I541-W560 VanDerWaalsContact CA-O 3.29Å; I541-W560 WeakPolarHBondContact CA-O 3.15Å; I542-W560 HydrophobicContact CD1-CB 4.15Å; I542-W560 HydrophobicContact CG1-CB 3.5Å; I542-W560 VanDerWaalsContact CG1-CB 3.5Å; I542-W560 PolarHBondContact N-O 2.84Å; P545-W560 HydrophobicContact CB-CD2 3.75Å; P545-W560 HydrophobicContact CB-CE3 3.92Å; P545-W560 HydrophobicContact CB-CG 4.29Å; P545-W560 HydrophobicContact CB-CH2 4.14Å; P545-W560 HydrophobicContact CB-CZ2 3.95Å; P545-W560 HydrophobicContact CB-CZ3 4.12Å; P545-W560 HydrophobicContact CG-CD2 4.32Å; P545-W560 HydrophobicContact CG-CZ2 4.01Å; Y549-W560 AromaticContact CD2-CE3 3.96Å; Y549-W560 HydrophobicContact CD2-CE3 3.96Å; Y549-W560 HydrophobicContact CD2-CZ3 4.06Å; Y549-W560 HydrophobicContact CE2-CE3 4.2Å; Y551-W560 AromaticContact CD1-CH2 3.7Å; Y551-W560 HydrophobicContact CD1-CH2 3.7Å; Y551-W560 HydrophobicContact CD1-CZ2 4.38Å; Y551-W560 HydrophobicContact CD1-CZ3 4.42Å; Y551-W560 AromaticContact CD2-CH2 3.5Å; Y551-W560 HydrophobicContact CD2-CH2 3.5Å; Y551-W560 AromaticContact CD2-CZ2 3.94Å; Y551-W560 HydrophobicContact CD2-CZ2 3.94Å; Y551-W560 AromaticContact CE1-CH2 3.7Å; Y551-W560 HydrophobicContact CE1-CH2 3.7Å; Y551-W560 AromaticContact CE1-CZ2 3.93Å; Y551-W560 HydrophobicContact CE1-CZ2 3.93Å; Y551-W560 AromaticContact CE2-CH2 3.5Å; Y551-W560 HydrophobicContact CE2-CH2 3.5Å; Y551-W560 VanDerWaalsContact CE2-CH2 3.5Å; Y551-W560 AromaticContact CE2-CZ2 3.43Å; Y551-W560 HydrophobicContact CE2-CZ2 3.43Å; Y551-W560 VanDerWaalsContact CE2-CZ2 3.43Å; Y551-W560 AromaticContact CG-CH2 3.64Å; Y551-W560 HydrophobicContact CG-CH2 3.64Å; Y551-W560 HydrophobicContact CG-CZ2 4.42Å; Y551-W560 AromaticContact CZ-CH2 3.62Å; Y551-W560 AromaticContact CZ-CZ2 3.45Å; Y551-W560 VanDerWaalsContact CZ-CZ2 3.45Å; Q556-W560 HydrophobicContact CG-CZ2 4.24Å; P557-W560 VanDerWaalsContact CD-CH2 3.5Å; P557-W560 HydrophobicContact CG-CD2 3.74Å; P557-W560 HydrophobicContact CG-CE3 3.8Å; P557-W560 HydrophobicContact CG-CG 4.35Å; P557-W560 HydrophobicContact CG-CH2 4.08Å; P557-W560 HydrophobicContact CG-CZ2 4.06Å; P557-W560 HydrophobicContact CG-CZ3 3.97Å |
| 561 | F | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 156.9 | 176.9 | -51.3 | -37.7 | 0 | 0 | 0 | 111.4 | V486 L487 G488 G489 Y500 F503 F537 H540 I541 I542 Y549 H559 | V486-F561 HydrophobicContact CG1-CD2 4.01Å; V486-F561 HydrophobicContact CG1-CE2 4.36Å; L487-F561 PolarHBondContact O-N 2.94Å; G488-F561 VanDerWaalsContact CA-CD2 3.43Å; G489-F561 VanDerWaalsContact N-CZ 3.29Å; Y500-F561 HydrophobicContact CD1-CZ 4.36Å; Y500-F561 HydrophobicContact CD2-CZ 4.03Å; Y500-F561 HydrophobicContact CE1-CE1 4.36Å; Y500-F561 AromaticContact CE1-CZ 3.9Å; Y500-F561 HydrophobicContact CE1-CZ 3.9Å; Y500-F561 HydrophobicContact CE2-CE1 4.11Å; Y500-F561 HydrophobicContact CE2-CE2 4.46Å; Y500-F561 AromaticContact CE2-CZ 3.53Å; Y500-F561 HydrophobicContact CE2-CZ 3.53Å; Y500-F561 HydrophobicContact CG-CZ 4.43Å; Y500-F561 AromaticContact CZ-CE1 3.76Å; Y500-F561 AromaticContact CZ-CZ 3.47Å; Y500-F561 VanDerWaalsContact CZ-CZ 3.47Å; F503-F561 HydrophobicContact CD1-CE2 4.07Å; F503-F561 HydrophobicContact CE1-CE2 4.28Å; F537-F561 HydrophobicContact CB-CD1 3.98Å; F537-F561 HydrophobicContact CB-CD2 3.83Å; F537-F561 HydrophobicContact CB-CE1 3.8Å; F537-F561 HydrophobicContact CB-CE2 3.61Å; F537-F561 HydrophobicContact CB-CG 4.03Å; F537-F561 HydrophobicContact CB-CZ 3.61Å; F537-F561 HydrophobicContact CD1-CB 3.84Å; F537-F561 HydrophobicContact CD1-CD1 4.3Å; F537-F561 AromaticContact CD1-CD2 3.32Å; F537-F561 HydrophobicContact CD1-CD2 3.32Å; F537-F561 AromaticContact CD1-CE2 3.92Å; F537-F561 HydrophobicContact CD1-CE2 3.92Å; F537-F561 AromaticContact CD1-CG 3.56Å; F537-F561 HydrophobicContact CD1-CG 3.56Å; F537-F561 HydrophobicContact CD2-CD2 4.26Å; F537-F561 HydrophobicContact CD2-CE2 4.11Å; F537-F561 HydrophobicContact CE1-CB 4.29Å; F537-F561 AromaticContact CE1-CD2 3.89Å; F537-F561 HydrophobicContact CE1-CD2 3.89Å; F537-F561 HydrophobicContact CE1-CG 4.32Å; F537-F561 HydrophobicContact CG-CD1 4.48Å; F537-F561 AromaticContact CG-CD2 3.55Å; F537-F561 HydrophobicContact CG-CD2 3.55Å; F537-F561 AromaticContact CG-CE2 3.62Å; F537-F561 HydrophobicContact CG-CE2 3.62Å; F537-F561 HydrophobicContact CG-CG 4.03Å; F537-F561 HydrophobicContact CG-CZ 4.17Å; H540-F561 CarbonylContact O-C 3.39Å; H540-F561 VanDerWaalsContact O-CA 3.28Å; H540-F561 WeakPolarHBondContact O-CA 3.42Å; I541-F561 HydrophobicContact CG1-CD1 4.11Å; I541-F561 HydrophobicContact CG1-CE1 4.05Å; I542-F561 WeakPolarHBondContact CD1-O 3.25Å; Y549-F561 PolarHBondContact OH-O 3.39Å; H559-F561 HydrophobicContact CB-CD1 4.44Å; H559-F561 HydrophobicContact CB-CE1 3.71Å; H559-F561 HydrophobicContact CB-CZ 4.4Å |
| 562 | E | 93.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | trans | -61.5 | 148.6 | 161 | -63.1 | -76.8 | -142.1 | 0 | 0 | 110.6 | R178 H540 I542 R546 V564 | R178-E562 IonicContact CZ-OE1 2.68Å; R178-E562 IonicContact NE-OE1 3.54Å; R178-E562 PolarHBondContact NE-OE1 2.93Å; R178-E562 IonicContact NH2-OE1 3.82Å; R178-E562 PolarHBondContact NH2-OE1 2.99Å; H540-E562 PolarHBondContact O-N 3.02Å; I542-E562 VanDerWaalsContact CG2-CD 3.48Å; I542-E562 HydrophobicContact CG2-CG 3.64Å; R546-E562 IonicContact CZ-OE1 3.3Å; R546-E562 IonicContact CZ-OE2 3.59Å; R546-E562 VanDerWaalsContact CZ-OE2 3.31Å; R546-E562 IonicContact NE-OE2 2.89Å; R546-E562 PolarHBondContact NE-OE2 3.26Å; R546-E562 IonicContact NH2-OE1 3.62Å; R546-E562 PolarHBondContact NH2-OE1 2.65Å; R546-E562 IonicContact NH2-OE2 3.52Å; R546-E562 PolarHBondContact NH2-OE2 3.35Å; E562-V564 VanDerWaalsContact C-N 3.34Å; E562-V564 HydrophobicContact CB-CG1 3.65Å; E562-V564 PolarHBondContact O-N 3.41Å | ||
| 563 | P | 94.2 | Very high | 92.6 | Very high | 19 Ų | 19 | 34.9 Ų | 34.9 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -80.4 | 88.7 | 176 | 32.4 | -24.8 | 0 | 0 | 0 | 106.9 | V485 Y515 Y548 Y549 P609 | V485-P563 HydrophobicContact CG1-CB 3.62Å; Y515-P563 HydrophobicContact CD2-CB 4.22Å; Y515-P563 HydrophobicContact CD2-CG 4.45Å; Y515-P563 HydrophobicContact CE2-CB 3.74Å; Y515-P563 HydrophobicContact CE2-CG 3.78Å; Y548-P563 HydrophobicContact CE2-CG 4.26Å; Y549-P563 HydrophobicContact CE1-CB 4.33Å; Y549-P563 HydrophobicContact CE1-CG 4.18Å; Y549-P563 WeakPolarHBondContact OH-CD 3.5Å; Y549-P563 VanDerWaalsContact OH-N 3.11Å; P563-P609 HydrophobicContact CB-CB 4.35Å; P563-P609 WeakPolarHBondContact O-CG 3.42Å |
| 564 | V | 94.1 | Very high | 92.3 | Very high | 48 Ų | 48 | 31.1 Ų | 31.1 | 29% | 0.291 | 17% | 0.173 | S | C | . | . | trans | -125.6 | -1.2 | -173.2 | -67.5 | 0 | 0 | 0 | 0 | 114 | F536 F537 H540 E562 | F536-V564 HydrophobicContact CE1-CG2 3.81Å; F536-V564 HydrophobicContact CZ-CG2 3.93Å; F537-V564 HydrophobicContact CE1-CG2 4.32Å; H540-V564 HydrophobicContact CB-CG2 4.17Å; E562-V564 VanDerWaalsContact C-N 3.34Å; E562-V564 HydrophobicContact CB-CG1 3.65Å; E562-V564 PolarHBondContact O-N 3.41Å | ||
| 565 | Q | 96.7 | Very high | 91.8 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 10% | 0.098 | 15% | 0.153 | C | C | . | . | trans | -147.9 | 132.1 | -177.2 | -164.4 | 170.2 | 59.4 | 0 | 0 | 111 | V486 F536 F537 V603 | V486-Q565 PolarHBondContact N-O 2.91Å; F536-Q565 HydrophobicContact CE1-CB 4.04Å; F536-Q565 HydrophobicContact CZ-CB 4.5Å; F537-Q565 HydrophobicContact CE1-CB 4.43Å; F537-Q565 HydrophobicContact CZ-CB 3.95Å; Q565-V603 HydrophobicContact CG-CG1 3.69Å | ||
| 566 | V | 98.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.2 | 172.2 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | D483 L484 V485 R604 K607 N608 | D483-V566 HydrophobicContact CB-CG1 3.78Å; L484-V566 CarbonylContact O-C 3.55Å; L484-V566 WeakPolarHBondContact O-CA 3.43Å; V485-V566 HydrophobicContact CG2-CG2 4.4Å; V566-R604 HydrophobicContact CB-CB 4.1Å; V566-R604 HydrophobicContact CG1-CB 4.09Å; V566-R604 HydrophobicContact CG1-CG 4.45Å; V566-R604 PolarHBondContact O-N 3.11Å; V566-K607 HydrophobicContact CB-CB 4.24Å; V566-K607 HydrophobicContact CG1-CB 4.4Å; V566-K607 HydrophobicContact CG1-CD 4.23Å; V566-K607 HydrophobicContact CG2-CB 4.16Å; V566-N608 WeakPolarHBondContact CG2-O 3.37Å |
| 567 | W | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.1 | 177.6 | -74.8 | 1.3 | 0 | 0 | 0 | 110.6 | D483 L484 V486 F503 L505 V521 F525 H533 F537 V569 F600 | D483-W567 CarbonylContact C-O 3.52Å; D483-W567 WeakPolarHBondContact CA-O 3.21Å; L484-W567 PolarHBondContact N-O 2.98Å; L484-W567 PolarHBondContact O-N 2.98Å; V486-W567 HydrophobicContact CG2-CD2 3.42Å; V486-W567 VanDerWaalsContact CG2-CD2 3.42Å; V486-W567 HydrophobicContact CG2-CE3 3.71Å; V486-W567 HydrophobicContact CG2-CG 3.79Å; V486-W567 HydrophobicContact CG2-CH2 4.3Å; V486-W567 HydrophobicContact CG2-CZ2 4.08Å; V486-W567 HydrophobicContact CG2-CZ3 4.09Å; F503-W567 HydrophobicContact CB-CH2 4.36Å; F503-W567 HydrophobicContact CB-CZ3 3.92Å; F503-W567 AromaticContact CD1-CH2 3.73Å; F503-W567 HydrophobicContact CD1-CH2 3.73Å; F503-W567 HydrophobicContact CD1-CZ3 4.16Å; F503-W567 AromaticContact CD2-CH2 3.58Å; F503-W567 HydrophobicContact CD2-CH2 3.58Å; F503-W567 AromaticContact CD2-CZ3 3.64Å; F503-W567 HydrophobicContact CD2-CZ3 3.64Å; F503-W567 AromaticContact CE1-CH2 3.8Å; F503-W567 HydrophobicContact CE1-CH2 3.8Å; F503-W567 AromaticContact CE2-CH2 3.67Å; F503-W567 HydrophobicContact CE2-CH2 3.67Å; F503-W567 HydrophobicContact CE2-CZ3 4.17Å; F503-W567 AromaticContact CG-CH2 3.62Å; F503-W567 HydrophobicContact CG-CH2 3.62Å; F503-W567 AromaticContact CG-CZ3 3.64Å; F503-W567 HydrophobicContact CG-CZ3 3.64Å; F503-W567 AromaticContact CZ-CH2 3.77Å; F503-W567 HydrophobicContact CZ-CH2 3.77Å; L505-W567 HydrophobicContact CD1-CE3 4.41Å; L505-W567 HydrophobicContact CD2-CB 4.14Å; L505-W567 HydrophobicContact CD2-CE3 3.95Å; V521-W567 HydrophobicContact CG1-CE3 4.47Å; V521-W567 HydrophobicContact CG1-CZ3 4.15Å; F525-W567 HydrophobicContact CE1-CE3 4.22Å; F525-W567 AromaticContact CE1-CH2 3.6Å; F525-W567 HydrophobicContact CE1-CH2 3.6Å; F525-W567 HydrophobicContact CE1-CZ2 4.29Å; F525-W567 AromaticContact CE1-CZ3 3.59Å; F525-W567 HydrophobicContact CE1-CZ3 3.59Å; F525-W567 HydrophobicContact CZ-CE3 4.12Å; F525-W567 AromaticContact CZ-CH2 3.83Å; F525-W567 HydrophobicContact CZ-CH2 3.83Å; F525-W567 AromaticContact CZ-CZ3 3.41Å; F525-W567 HydrophobicContact CZ-CZ3 3.41Å; F525-W567 VanDerWaalsContact CZ-CZ3 3.41Å; H533-W567 HydrophobicContact CB-CH2 4.46Å; H533-W567 HydrophobicContact CB-CZ2 4.08Å; H533-W567 AromaticContact CD2-CZ2 3.77Å; H533-W567 AromaticContact CE1-CE2 3.94Å; H533-W567 AromaticContact CE1-CZ2 3.73Å; H533-W567 AromaticContact CE1-NE1 3.8Å; H533-W567 AromaticContact CG-CZ2 3.53Å; H533-W567 AromaticContact ND1-CZ2 3.51Å; H533-W567 AromaticContact NE2-CZ2 3.91Å; F537-W567 HydrophobicContact CE2-CH2 4.31Å; F537-W567 AromaticContact CE2-CZ2 3.67Å; F537-W567 HydrophobicContact CE2-CZ2 3.67Å; F537-W567 HydrophobicContact CZ-CZ2 4.46Å; W567-V569 HydrophobicContact CB-CG2 4.25Å; W567-V569 PolarHBondContact O-N 3.07Å; W567-F600 HydrophobicContact CB-CD2 4.11Å; W567-F600 HydrophobicContact CB-CE2 4.08Å; W567-F600 AromaticContact CD1-CE2 3.9Å; W567-F600 AromaticContact CD2-CD2 3.68Å; W567-F600 HydrophobicContact CD2-CD2 3.68Å; W567-F600 AromaticContact CD2-CE2 3.59Å; W567-F600 HydrophobicContact CD2-CE2 3.59Å; W567-F600 AromaticContact CE2-CE2 3.86Å; W567-F600 AromaticContact CE3-CD2 3.72Å; W567-F600 HydrophobicContact CE3-CD2 3.72Å; W567-F600 HydrophobicContact CE3-CE2 4.11Å; W567-F600 AromaticContact CG-CD2 3.91Å; W567-F600 HydrophobicContact CG-CD2 3.91Å; W567-F600 AromaticContact CG-CE2 3.61Å; W567-F600 HydrophobicContact CG-CE2 3.61Å; W567-F600 HydrophobicContact CZ3-CD2 4.39Å |
| 568 | Q | 95.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 120.2 | 166.6 | -165.9 | -179.2 | -5.1 | 0 | 0 | 108.6 | S481 L482 I601 R602 R604 | S481-Q568 PolarHBondContact OG-NE2 2.92Å; L482-Q568 CarbonylContact O-C 3.56Å; L482-Q568 WeakPolarHBondContact O-CA 3.31Å; Q568-I601 HydrophobicContact CB-CB 4.33Å; Q568-I601 HydrophobicContact CG-CB 4.45Å; Q568-I601 HydrophobicContact CG-CD1 3.91Å; Q568-I601 WeakPolarHBondContact O-CB 3.41Å; Q568-I601 PolarHBondContact O-N 3.28Å; Q568-R602 HydrophobicContact CB-CG 4.02Å; Q568-R602 PolarHBondContact N-O 3.39Å; Q568-R604 HydrophobicContact CB-CG 4.05Å |
| 569 | V | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.3 | -177.6 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | S481 L482 L484 L505 W567 L595 P598 R599 | S481-V569 CarbonylContact C-O 3.56Å; S481-V569 VanDerWaalsContact CA-O 3.28Å; S481-V569 WeakPolarHBondContact CA-O 3.33Å; L482-V569 PolarHBondContact N-O 3.47Å; L482-V569 PolarHBondContact O-N 2.82Å; L484-V569 HydrophobicContact CD1-CB 4.18Å; L484-V569 HydrophobicContact CD1-CG2 4.34Å; L505-V569 HydrophobicContact CD2-CG2 3.99Å; W567-V569 HydrophobicContact CB-CG2 4.25Å; W567-V569 PolarHBondContact O-N 3.07Å; V569-L595 HydrophobicContact CG1-CD1 4.33Å; V569-P598 HydrophobicContact CG1-CB 3.82Å; V569-R599 CarbonylContact C-O 3.52Å; V569-R599 VanDerWaalsContact CA-O 3.3Å; V569-R599 WeakPolarHBondContact CA-O 3.44Å |
| 570 | K | 85.8 | Confident | 91.1 | Very high | 36 Ų | 36 | 24.8 Ų | 24.8 | 16% | 0.157 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.8 | 173.2 | -166.3 | 159.6 | 177.9 | 112.8 | 0 | 110.1 | I478 G479 P598 R599 I601 | I478-K570 WeakPolarHBondContact O-CE 3.33Å; I478-K570 PolarHBondContact O-NZ 2.9Å; G479-K570 WeakPolarHBondContact O-CE 3.49Å; G479-K570 PolarHBondContact O-NZ 3.13Å; K570-P598 CarbonylContact O-C 3.6Å; K570-P598 WeakPolarHBondContact O-CA 3.41Å; K570-R599 PolarHBondContact N-O 3.33Å; K570-R599 PolarHBondContact O-N 3.16Å; K570-I601 HydrophobicContact CB-CD1 3.84Å; K570-I601 HydrophobicContact CB-CG1 4.14Å |
| 571 | A | 82 | Confident | 91.1 | Very high | 3 Ų | 3 | 26 Ų | 26 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | trans | -106.5 | 162.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G479 D480 L595 | G479-A571 WeakPolarHBondContact CA-O 3.14Å; D480-A571 PolarHBondContact O-N 3.39Å; A571-L595 HydrophobicContact CB-CB 3.95Å; A571-L595 HydrophobicContact CB-CD1 4.23Å; A571-L595 HydrophobicContact CB-CD2 4.02Å; A571-L595 HydrophobicContact CB-CG 4.28Å | ||
| 572 | A | 73 | Confident | 91.1 | Very high | 54 Ų | 54 | 26 Ų | 26 | 45% | 0.446 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -82.6 | -40.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R596 F597 | A572-R596 PolarHBondContact N-O 3.04Å; A572-F597 HydrophobicContact CB-CB 4.11Å; A572-F597 HydrophobicContact CB-CD2 3.94Å |
| 573 | D | 74.8 | Confident | 91.2 | Very high | 55 Ų | 55 | 25.7 Ų | 25.7 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 171.3 | -173 | -150.9 | 39.5 | 0 | 0 | 0 | 109.5 | R596 Q625 | D573-R596 HydrophobicContact CB-CB 4.1Å; D573-R596 HydrophobicContact CB-CG 4.2Å; D573-R596 WeakPolarHBondContact O-CB 3.36Å; D573-R596 PolarHBondContact O-N 2.89Å; D573-Q625 PolarHBondContact OD1-OE1 3.24Å |
| 574 | L | 87 | Confident | 91.2 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.9 | 177 | -59.6 | 87.8 | 0 | 0 | 0 | 110.5 | I593 S594 L595 V618 M621 Y622 Q625 | L574-I593 HydrophobicContact CB-CG2 3.93Å; L574-I593 HydrophobicContact CD2-CG2 3.82Å; L574-I593 HydrophobicContact CG-CG2 4.44Å; L574-S594 CarbonylContact C-O 3.55Å; L574-S594 VanDerWaalsContact CA-O 3.29Å; L574-S594 WeakPolarHBondContact CA-O 3.46Å; L574-L595 HydrophobicContact CD2-CD2 3.91Å; L574-L595 HydrophobicContact CG-CD2 3.81Å; L574-V618 HydrophobicContact CD2-CG1 4.22Å; L574-M621 HydrophobicContact CD1-CB 4.28Å; L574-M621 HydrophobicContact CD2-CB 3.92Å; L574-Y622 HydrophobicContact CB-CD2 4.09Å; L574-Q625 VanDerWaalsContact CA-OE1 3.31Å; L574-Q625 VanDerWaalsContact CB-OE1 3.3Å; L574-Q625 PolarHBondContact O-NE2 3.39Å; L574-Q625 PolarHBondContact O-OE1 2.85Å; L574-Q625 VanDerWaalsContact O-OE1 3.11Å |
| 575 | S | 85.8 | Confident | 91.1 | Very high | 20 Ų | 20 | 28.1 Ų | 28.1 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.6 | -179.7 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | S594 R596 | S575-S594 PolarHBondContact N-O 3.23Å; S575-S594 PolarHBondContact O-N 2.89Å; S575-S594 PolarHBondContact O-OG 2.61Å; S575-S594 PolarHBondContact OG-OG 2.88Å; S575-R596 WeakPolarHBondContact OG-CD 3.42Å; S575-R596 PolarHBondContact OG-NE 3.24Å |
| 576 | L | 91.7 | Very high | 90.8 | Very high | 42 Ų | 42 | 31 Ų | 31 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 145 | 168.7 | -69.5 | 173.7 | 0 | 0 | 0 | 110.8 | V587 D588 R591 G592 I593 Y622 | L576-V587 HydrophobicContact CD2-CG1 4.2Å; L576-D588 HydrophobicContact CD1-CB 4.16Å; L576-D588 HydrophobicContact CD2-CB 3.88Å; L576-R591 HydrophobicContact CB-CB 4.35Å; L576-R591 HydrophobicContact CD2-CB 4.41Å; L576-G592 CarbonylContact C-O 3.6Å; L576-G592 WeakPolarHBondContact CA-O 3.39Å; L576-I593 HydrophobicContact CD2-CG1 4.02Å; L576-Y622 HydrophobicContact CD2-CE2 4.45Å; L576-Y622 HydrophobicContact CG-CE1 4.44Å; L576-Y622 HydrophobicContact CG-CE2 4Å; L576-Y622 WeakPolarHBondContact CG-OH 3.49Å |
| 577 | S | 92.5 | Very high | 90.3 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 133.9 | -173.5 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | I579 H580 R591 G592 | S577-I579 VanDerWaalsContact C-N 3.27Å; S577-I579 WeakPolarHBondContact OG-CG1 3.44Å; S577-I579 PolarHBondContact OG-N 2.93Å; S577-H580 PolarHBondContact OG-N 2.91Å; S577-H580 VanDerWaalsContact OG-N 3.13Å; S577-R591 WeakPolarHBondContact O-CA 3.1Å; S577-R591 WeakPolarHBondContact O-CB 3.28Å; S577-G592 PolarHBondContact N-O 2.81Å; S577-G592 PolarHBondContact O-N 2.78Å; S577-G592 VanDerWaalsContact O-N 3.1Å |
| 578 | P | 92.2 | Very high | 90 | Very high | 100 Ų | 100 | 34.4 Ų | 34.4 | 65% | 0.649 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -77.6 | -11.5 | 171.2 | 31.9 | -33.8 | 0 | 0 | 0 | 113.2 | ||
| 579 | I | 95.2 | Very high | 89.6 | Confident | 59 Ų | 59 | 40.8 Ų | 40.8 | 30% | 0.303 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -118.1 | -17.7 | -173 | 60.5 | 177.3 | 0 | 0 | 0 | 114.2 | D552 L555 S577 | D552-I579 HydrophobicContact CB-CB 3.94Å; D552-I579 HydrophobicContact CB-CG2 4.28Å; D552-I579 WeakPolarHBondContact CB-O 3.26Å; D552-I579 PolarHBondContact N-O 2.67Å; L555-I579 HydrophobicContact CD1-CB 4.31Å; L555-I579 HydrophobicContact CD1-CG1 4.37Å; L555-I579 WeakPolarHBondContact CD1-O 3.33Å; L555-I579 HydrophobicContact CD2-CD1 3.91Å; L555-I579 HydrophobicContact CD2-CG1 4.47Å; L555-I579 HydrophobicContact CG-CB 4.42Å; L555-I579 HydrophobicContact CG-CD1 4.35Å; S577-I579 VanDerWaalsContact C-N 3.27Å; S577-I579 WeakPolarHBondContact OG-CG1 3.44Å; S577-I579 PolarHBondContact OG-N 2.93Å |
| 580 | H | 97.3 | Very high | 89.4 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 7% | 0.069 | 28% | 0.276 | C | S | . | . | trans | -99 | 140.7 | 168.9 | -76.1 | -57.2 | 0 | 0 | 0 | 109.8 | S517 I518 C519 L555 S577 G592 I593 | S517-H580 WeakPolarHBondContact O-CB 3.32Å; S517-H580 PolarHBondContact OG-ND1 2.96Å; I518-H580 PolarHBondContact N-ND1 2.92Å; C519-H580 PolarHBondContact N-CE1 3Å; L555-H580 WeakPolarHBondContact CD1-CE1 3.19Å; L555-H580 VanDerWaalsContact CD1-ND1 3.31Å; L555-H580 WeakPolarHBondContact CD1-ND1 3.41Å; S577-H580 PolarHBondContact OG-N 2.91Å; S577-H580 VanDerWaalsContact OG-N 3.13Å; H580-G592 CarbonylContact O-C 3.54Å; H580-G592 WeakPolarHBondContact O-CA 3.37Å; H580-G592 PolarHBondContact O-N 2.57Å; H580-I593 WeakPolarHBondContact CB-O 3.08Å | ||
| 581 | F | 96.7 | Very high | 89.8 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 17% | 0.167 | 29% | 0.289 | C | S | . | . | trans | -112.8 | 2.6 | -169.7 | -62.2 | -21.2 | 0 | 0 | 0 | 113.8 | S517 R550 Y551 D552 A583 M584 | S517-F581 PolarHBondContact O-N 2.98Å; R550-F581 HydrophobicContact CB-CB 4.41Å; R550-F581 HydrophobicContact CB-CD2 4.19Å; Y551-F581 VanDerWaalsContact O-CE2 3.31Å; Y551-F581 WeakPolarHBondContact O-CE2 3.4Å; D552-F581 HydrophobicContact CB-CE1 4.26Å; D552-F581 HydrophobicContact CB-CZ 3.85Å; F581-A583 PolarHBondContact O-N 3.35Å; F581-M584 HydrophobicContact CD1-SD 3.97Å; F581-M584 HydrophobicContact CG-SD 4.41Å; F581-M584 WeakPolarHBondContact O-CB 3.49Å; F581-M584 PolarHBondContact O-N 3.34Å | ||
| 582 | A | 97.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -53 | 122.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C507 Q516 S517 I518 M584 G592 I593 V618 | C507-A582 WeakPolarHBondContact SG-CB 3.33Å; Q516-A582 HydrophobicContact CB-CB 4.4Å; S517-A582 PolarHBondContact O-N 3.49Å; S517-A582 VanDerWaalsContact O-N 3.14Å; I518-A582 HydrophobicContact CB-CB 3.73Å; I518-A582 HydrophobicContact CD1-CB 4.05Å; I518-A582 HydrophobicContact CG1-CB 3.64Å; A582-M584 PolarHBondContact O-N 3.09Å; A582-M584 VanDerWaalsContact O-N 3.14Å; A582-G592 CarbonylContact O-C 3.5Å; A582-G592 WeakPolarHBondContact O-CA 3.3Å; A582-I593 PolarHBondContact O-N 3.13Å; A582-V618 HydrophobicContact CB-CG1 4.27Å |
| 583 | A | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 23.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F581 G585 M586 I593 A615 V618 A619 | F581-A583 PolarHBondContact O-N 3.35Å; A583-G585 PolarHBondContact O-N 3.01Å; A583-M586 HydrophobicContact CB-CB 4.27Å; A583-M586 HydrophobicContact CB-CG 4.43Å; A583-M586 HydrophobicContact CB-SD 3.93Å; A583-M586 WeakPolarHBondContact O-CB 3.37Å; A583-M586 PolarHBondContact O-N 3.21Å; A583-I593 HydrophobicContact CB-CD1 4.14Å; A583-A615 HydrophobicContact CB-CB 4.43Å; A583-A615 WeakPolarHBondContact CB-O 3.36Å; A583-V618 HydrophobicContact CB-CB 4.33Å; A583-V618 HydrophobicContact CB-CG1 4.39Å; A583-A619 HydrophobicContact CB-CB 4.04Å |
| 584 | M | 93.5 | Very high | 92.4 | Very high | 71 Ų | 71 | 48 Ų | 48 | 35% | 0.35 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 132.3 | 170.7 | -173.8 | 177.8 | 70.2 | 0 | 0 | 109.7 | F581 A582 M586 | F581-M584 HydrophobicContact CD1-SD 3.97Å; F581-M584 HydrophobicContact CG-SD 4.41Å; F581-M584 WeakPolarHBondContact O-CB 3.49Å; F581-M584 PolarHBondContact O-N 3.34Å; A582-M584 PolarHBondContact O-N 3.09Å; A582-M584 VanDerWaalsContact O-N 3.14Å; M584-M586 VanDerWaalsContact C-N 3.32Å |
| 585 | G | 91.3 | Very high | 92.6 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -12.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A583 D588 | A583-G585 PolarHBondContact O-N 3.01Å; G585-D588 WeakPolarHBondContact CA-O 3.46Å; G585-D588 PolarHBondContact N-O 2.97Å |
| 586 | M | 92.1 | Very high | 92.4 | Very high | 81 Ų | 81 | 53.9 Ų | 53.9 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -26.6 | 177.2 | -58.5 | 179.8 | 174.7 | 0 | 0 | 113.3 | A583 M584 A615 A619 | A583-M586 HydrophobicContact CB-CB 4.27Å; A583-M586 HydrophobicContact CB-CG 4.43Å; A583-M586 HydrophobicContact CB-SD 3.93Å; A583-M586 WeakPolarHBondContact O-CB 3.37Å; A583-M586 PolarHBondContact O-N 3.21Å; M584-M586 VanDerWaalsContact C-N 3.32Å; M586-A615 HydrophobicContact CE-CB 3.84Å; M586-A615 HydrophobicContact SD-CB 4.02Å; M586-A619 HydrophobicContact CB-CB 3.87Å; M586-A619 HydrophobicContact SD-CB 4.3Å |
| 587 | V | 86.6 | Confident | 91.9 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 26% | 0.255 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -124.1 | -40 | -179.1 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | L576 I593 A619 Y622 | L576-V587 HydrophobicContact CD2-CG1 4.2Å; V587-I593 HydrophobicContact CB-CD1 4.16Å; V587-I593 HydrophobicContact CG2-CD1 3.72Å; V587-A619 HydrophobicContact CG2-CB 3.57Å; V587-Y622 HydrophobicContact CB-CD1 4.48Å; V587-Y622 HydrophobicContact CG1-CD1 3.43Å; V587-Y622 VanDerWaalsContact CG1-CD1 3.43Å; V587-Y622 HydrophobicContact CG1-CE1 3.47Å; V587-Y622 VanDerWaalsContact CG1-CE1 3.47Å; V587-Y622 HydrophobicContact CG1-CG 4.42Å; V587-Y622 HydrophobicContact CG2-CD1 4.39Å |
| 588 | D | 91.3 | Very high | 91.8 | Very high | 32 Ų | 32 | 59.9 Ų | 59.9 | 17% | 0.171 | 30% | 0.303 | C | S | . | . | trans | -139 | 138.5 | 176.9 | 179 | -62.5 | 0 | 0 | 0 | 108 | L576 G585 Q590 R591 | L576-D588 HydrophobicContact CD1-CB 4.16Å; L576-D588 HydrophobicContact CD2-CB 3.88Å; G585-D588 WeakPolarHBondContact CA-O 3.46Å; G585-D588 PolarHBondContact N-O 2.97Å; D588-Q590 PolarHBondContact O-N 3.16Å; D588-Q590 PolarHBondContact OD1-N 2.68Å; D588-R591 HydrophobicContact CB-CB 4.18Å; D588-R591 PolarHBondContact OD1-N 2.89Å; D588-R591 IonicContact OD1-NE 3.14Å; D588-R591 IonicContact OD2-CZ 2.66Å; D588-R591 IonicContact OD2-NE 3.44Å; D588-R591 PolarHBondContact OD2-NE 3.34Å; D588-R591 IonicContact OD2-NH2 2.74Å; D588-R591 PolarHBondContact OD2-NH2 3.41Å | ||
| 589 | N | 88.1 | Confident | 91.5 | Very high | 145 Ų | 145 | 61.1 Ų | 61.1 | 78% | 0.775 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -69.4 | -17.7 | -173.4 | -69.8 | -35.9 | 0 | 0 | 0 | 114.3 | ||
| 590 | Q | 88.8 | Confident | 91.4 | Very high | 168 Ų | 168 | 58.9 Ų | 58.9 | 79% | 0.785 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -130 | -19.4 | -173.1 | -61.3 | -175.5 | 5.8 | 0 | 0 | 113.8 | D588 | D588-Q590 PolarHBondContact O-N 3.16Å; D588-Q590 PolarHBondContact OD1-N 2.68Å |
| 591 | R | 93.4 | Very high | 91 | Very high | 115 Ų | 115 | 61.8 Ų | 61.8 | 43% | 0.434 | 30% | 0.298 | S | S | . | . | trans | -111.7 | 135.5 | -179.5 | -60.9 | 179.2 | -69.3 | 179.7 | -1 | 110.2 | L576 S577 D588 | L576-R591 HydrophobicContact CB-CB 4.35Å; L576-R591 HydrophobicContact CD2-CB 4.41Å; S577-R591 WeakPolarHBondContact O-CA 3.1Å; S577-R591 WeakPolarHBondContact O-CB 3.28Å; D588-R591 HydrophobicContact CB-CB 4.18Å; D588-R591 PolarHBondContact OD1-N 2.89Å; D588-R591 IonicContact OD1-NE 3.14Å; D588-R591 IonicContact OD2-CZ 2.66Å; D588-R591 IonicContact OD2-NE 3.44Å; D588-R591 PolarHBondContact OD2-NE 3.34Å; D588-R591 IonicContact OD2-NH2 2.74Å; D588-R591 PolarHBondContact OD2-NH2 3.41Å | ||
| 592 | G | 95.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -171.4 | 166 | 0 | 0 | 0 | 0 | 0 | 111.4 | L576 S577 H580 A582 | L576-G592 CarbonylContact C-O 3.6Å; L576-G592 WeakPolarHBondContact CA-O 3.39Å; S577-G592 PolarHBondContact N-O 2.81Å; S577-G592 PolarHBondContact O-N 2.78Å; S577-G592 VanDerWaalsContact O-N 3.1Å; H580-G592 CarbonylContact O-C 3.54Å; H580-G592 WeakPolarHBondContact O-CA 3.37Å; H580-G592 PolarHBondContact O-N 2.57Å; A582-G592 CarbonylContact O-C 3.5Å; A582-G592 WeakPolarHBondContact O-CA 3.3Å |
| 593 | I | 95.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 149.1 | -179.2 | -70.2 | 162.5 | 0 | 0 | 0 | 110.4 | L574 L576 H580 A582 A583 V587 V618 Y622 | L574-I593 HydrophobicContact CB-CG2 3.93Å; L574-I593 HydrophobicContact CD2-CG2 3.82Å; L574-I593 HydrophobicContact CG-CG2 4.44Å; L576-I593 HydrophobicContact CD2-CG1 4.02Å; H580-I593 WeakPolarHBondContact CB-O 3.08Å; A582-I593 PolarHBondContact O-N 3.13Å; A583-I593 HydrophobicContact CB-CD1 4.14Å; V587-I593 HydrophobicContact CB-CD1 4.16Å; V587-I593 HydrophobicContact CG2-CD1 3.72Å; I593-V618 HydrophobicContact CB-CG1 3.71Å; I593-V618 HydrophobicContact CD1-CG1 4.09Å; I593-V618 HydrophobicContact CG2-CG1 3.51Å; I593-Y622 VanDerWaalsContact CD1-CB 3.43Å; I593-Y622 HydrophobicContact CD1-CD1 4.28Å; I593-Y622 HydrophobicContact CD1-CD2 4.18Å; I593-Y622 HydrophobicContact CD1-CG 3.69Å; I593-Y622 HydrophobicContact CG1-CD2 4.04Å; I593-Y622 HydrophobicContact CG1-CG 4.07Å; I593-Y622 HydrophobicContact CG2-CD2 4.28Å |
| 594 | S | 94.1 | Very high | 90.7 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 153.7 | 179 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | I518 L574 S575 | I518-S594 WeakPolarHBondContact O-CA 3.43Å; L574-S594 CarbonylContact C-O 3.55Å; L574-S594 VanDerWaalsContact CA-O 3.29Å; L574-S594 WeakPolarHBondContact CA-O 3.46Å; S575-S594 PolarHBondContact N-O 3.23Å; S575-S594 PolarHBondContact O-N 2.89Å; S575-S594 PolarHBondContact O-OG 2.61Å; S575-S594 PolarHBondContact OG-OG 2.88Å |
| 595 | L | 91.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 69.5 Ų | 69.5 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 130.1 | 177.2 | -55.3 | -174.5 | 0 | 0 | 0 | 112.2 | L482 L484 I518 C519 V569 A571 L574 P598 | L482-L595 HydrophobicContact CD1-CD1 4.05Å; L482-L595 HydrophobicContact CD1-CD2 3.87Å; L482-L595 HydrophobicContact CD2-CD1 4.41Å; L482-L595 HydrophobicContact CD2-CD2 4.03Å; L484-L595 HydrophobicContact CD1-CD1 3.83Å; I518-L595 HydrophobicContact CD1-CD2 3.95Å; I518-L595 HydrophobicContact CD1-CG 4.15Å; I518-L595 HydrophobicContact CG1-CD2 4.3Å; I518-L595 HydrophobicContact CG1-CG 4.12Å; I518-L595 PolarHBondContact O-N 2.66Å; C519-L595 HydrophobicContact CB-CB 3.92Å; C519-L595 HydrophobicContact CB-CD1 4.24Å; C519-L595 HydrophobicContact CB-CG 4.12Å; V569-L595 HydrophobicContact CG1-CD1 4.33Å; A571-L595 HydrophobicContact CB-CB 3.95Å; A571-L595 HydrophobicContact CB-CD1 4.23Å; A571-L595 HydrophobicContact CB-CD2 4.02Å; A571-L595 HydrophobicContact CB-CG 4.28Å; L574-L595 HydrophobicContact CD2-CD2 3.91Å; L574-L595 HydrophobicContact CG-CD2 3.81Å; L595-P598 HydrophobicContact CB-CB 4.2Å |
| 596 | R | 81.8 | Confident | 90.2 | Very high | 140 Ų | 140 | 70.1 Ų | 70.1 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 133.3 | 168.5 | -62.1 | -65.2 | -145.8 | -178.4 | 4.2 | 110.3 | A572 D573 S575 | A572-R596 PolarHBondContact N-O 3.04Å; D573-R596 HydrophobicContact CB-CB 4.1Å; D573-R596 HydrophobicContact CB-CG 4.2Å; D573-R596 WeakPolarHBondContact O-CB 3.36Å; D573-R596 PolarHBondContact O-N 2.89Å; S575-R596 WeakPolarHBondContact OG-CD 3.42Å; S575-R596 PolarHBondContact OG-NE 3.24Å |
| 597 | F | 80.5 | Confident | 90.1 | Very high | 161 Ų | 161 | 67.5 Ų | 67.5 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 47.3 | 49.9 | 179.9 | -52.6 | -75 | 0 | 0 | 0 | 115 | A572 | A572-F597 HydrophobicContact CB-CB 4.11Å; A572-F597 HydrophobicContact CB-CD2 3.94Å |
| 598 | P | 90 | Very high | 90.2 | Very high | 15 Ų | 15 | 69 Ų | 69 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | trans | -61 | 139.9 | 179.9 | 28.6 | -35.9 | 0 | 0 | 0 | 110.9 | C519 K520 V521 T523 V569 K570 L595 | C519-P598 HydrophobicContact CB-CB 4.33Å; C519-P598 HydrophobicContact CB-CG 4.17Å; K520-P598 WeakPolarHBondContact O-CG 3.5Å; V521-P598 HydrophobicContact CB-CB 4.39Å; V521-P598 HydrophobicContact CB-CG 4.48Å; V521-P598 HydrophobicContact CG2-CB 4.16Å; V521-P598 HydrophobicContact CG2-CG 4.48Å; T523-P598 PolarHBondContact OG1-O 3.41Å; V569-P598 HydrophobicContact CG1-CB 3.82Å; K570-P598 CarbonylContact O-C 3.6Å; K570-P598 WeakPolarHBondContact O-CA 3.41Å; L595-P598 HydrophobicContact CB-CB 4.2Å | ||
| 599 | R | 86.4 | Confident | 90.3 | Very high | 126 Ų | 126 | 68.4 Ų | 68.4 | 48% | 0.475 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 131.6 | 175.8 | -71.9 | -176.9 | -77.6 | -169.6 | -3.4 | 110.4 | T523 V569 K570 | T523-R599 WeakPolarHBondContact O-CA 3.39Å; V569-R599 CarbonylContact C-O 3.52Å; V569-R599 VanDerWaalsContact CA-O 3.3Å; V569-R599 WeakPolarHBondContact CA-O 3.44Å; K570-R599 PolarHBondContact N-O 3.33Å; K570-R599 PolarHBondContact O-N 3.16Å |
| 600 | F | 93.1 | Very high | 90.5 | Very high | 13 Ų | 13 | 66 Ų | 66 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 146 | 170.9 | 174.9 | -104.5 | 0 | 0 | 0 | 111.3 | T523 F525 H533 W567 V603 | T523-F600 PolarHBondContact O-N 3.21Å; F525-F600 HydrophobicContact CD1-CB 3.97Å; F525-F600 AromaticContact CD1-CD1 3.55Å; F525-F600 HydrophobicContact CD1-CD1 3.55Å; F525-F600 HydrophobicContact CD1-CD2 4.46Å; F525-F600 HydrophobicContact CD1-CE1 4.08Å; F525-F600 AromaticContact CD1-CG 3.75Å; F525-F600 HydrophobicContact CD1-CG 3.75Å; F525-F600 HydrophobicContact CD2-CB 4.35Å; F525-F600 HydrophobicContact CE1-CB 3.49Å; F525-F600 VanDerWaalsContact CE1-CB 3.49Å; F525-F600 AromaticContact CE1-CD1 3.62Å; F525-F600 HydrophobicContact CE1-CD1 3.62Å; F525-F600 AromaticContact CE1-CD2 3.69Å; F525-F600 HydrophobicContact CE1-CD2 3.69Å; F525-F600 HydrophobicContact CE1-CE1 4.21Å; F525-F600 HydrophobicContact CE1-CE2 4.27Å; F525-F600 AromaticContact CE1-CG 3.31Å; F525-F600 HydrophobicContact CE1-CG 3.31Å; F525-F600 HydrophobicContact CE1-CZ 4.49Å; F525-F600 HydrophobicContact CE2-CB 3.91Å; F525-F600 HydrophobicContact CG-CB 4.37Å; F525-F600 HydrophobicContact CG-CD1 4.34Å; F525-F600 HydrophobicContact CZ-CB 3.44Å; F525-F600 VanDerWaalsContact CZ-CB 3.44Å; F525-F600 HydrophobicContact CZ-CD1 4.45Å; F525-F600 HydrophobicContact CZ-CD2 4.2Å; F525-F600 AromaticContact CZ-CG 3.81Å; F525-F600 HydrophobicContact CZ-CG 3.81Å; H533-F600 AromaticContact NE2-CE1 3.94Å; H533-F600 AromaticContact NE2-CZ 3.44Å; H533-F600 WeakPolarHBondContact NE2-CZ 3.48Å; W567-F600 HydrophobicContact CB-CD2 4.11Å; W567-F600 HydrophobicContact CB-CE2 4.08Å; W567-F600 AromaticContact CD1-CE2 3.9Å; W567-F600 AromaticContact CD2-CD2 3.68Å; W567-F600 HydrophobicContact CD2-CD2 3.68Å; W567-F600 AromaticContact CD2-CE2 3.59Å; W567-F600 HydrophobicContact CD2-CE2 3.59Å; W567-F600 AromaticContact CE2-CE2 3.86Å; W567-F600 AromaticContact CE3-CD2 3.72Å; W567-F600 HydrophobicContact CE3-CD2 3.72Å; W567-F600 HydrophobicContact CE3-CE2 4.11Å; W567-F600 AromaticContact CG-CD2 3.91Å; W567-F600 HydrophobicContact CG-CD2 3.91Å; W567-F600 AromaticContact CG-CE2 3.61Å; W567-F600 HydrophobicContact CG-CE2 3.61Å; W567-F600 HydrophobicContact CZ3-CD2 4.39Å; F600-V603 HydrophobicContact CZ-CG2 4.32Å |
| 601 | I | 88.7 | Confident | 90.6 | Very high | 75 Ų | 75 | 60 Ų | 60 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | -59.6 | 172.9 | -49.9 | 178.9 | 0 | 0 | 0 | 110.7 | Q568 K570 | Q568-I601 HydrophobicContact CB-CB 4.33Å; Q568-I601 HydrophobicContact CG-CB 4.45Å; Q568-I601 HydrophobicContact CG-CD1 3.91Å; Q568-I601 WeakPolarHBondContact O-CB 3.41Å; Q568-I601 PolarHBondContact O-N 3.28Å; K570-I601 HydrophobicContact CB-CD1 3.84Å; K570-I601 HydrophobicContact CB-CG1 4.14Å |
| 602 | R | 93.5 | Very high | 90.6 | Very high | 70 Ų | 70 | 54.6 Ų | 54.6 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 161.9 | -176.7 | 60.9 | 173.1 | 169.7 | -179.4 | -5.9 | 112.3 | E445 Q568 | E445-R602 IonicContact OE1-NH2 2.73Å; E445-R602 PolarHBondContact OE1-NH2 2.88Å; Q568-R602 HydrophobicContact CB-CG 4.02Å; Q568-R602 PolarHBondContact N-O 3.39Å |
| 603 | V | 96 | Very high | 90.6 | Very high | 25 Ų | 25 | 54.9 Ų | 54.9 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 147.6 | 162.5 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | Q565 F600 D605 | Q565-V603 HydrophobicContact CG-CG1 3.69Å; F600-V603 HydrophobicContact CZ-CG2 4.32Å; V603-D605 WeakPolarHBondContact CG1-OD1 3.32Å |
| 604 | R | 94.4 | Very high | 90.6 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 13% | 0.132 | 26% | 0.259 | C | S | . | . | trans | -112 | 73.2 | 174.7 | -65.4 | -61.5 | -57.3 | -87.7 | -0.9 | 110.6 | D483 V566 Q568 D606 K607 | D483-R604 IonicContact OD1-CZ 2.83Å; D483-R604 IonicContact OD1-NH1 2.73Å; D483-R604 PolarHBondContact OD1-NH1 2.7Å; D483-R604 IonicContact OD2-CZ 2.95Å; D483-R604 IonicContact OD2-NH1 3.3Å; D483-R604 PolarHBondContact OD2-NH1 3.43Å; V566-R604 HydrophobicContact CB-CB 4.1Å; V566-R604 HydrophobicContact CG1-CB 4.09Å; V566-R604 HydrophobicContact CG1-CG 4.45Å; V566-R604 PolarHBondContact O-N 3.11Å; Q568-R604 HydrophobicContact CB-CG 4.05Å; R604-D606 IonicContact CZ-OD1 2.68Å; R604-D606 IonicContact CZ-OD2 2.68Å; R604-D606 IonicContact NE-OD1 3.12Å; R604-D606 PolarHBondContact NE-OD1 3.38Å; R604-D606 IonicContact NE-OD2 2.8Å; R604-D606 IonicContact NH2-OD1 3.38Å; R604-D606 PolarHBondContact NH2-OD1 2.94Å; R604-D606 IonicContact NH2-OD2 3.06Å; R604-D606 PolarHBondContact NH2-OD2 3.35Å; R604-D606 PolarHBondContact O-N 3.04Å; R604-D606 VanDerWaalsContact O-N 3.11Å; R604-K607 HydrophobicContact CB-CB 4.2Å; R604-K607 HydrophobicContact CB-CD 4.29Å; R604-K607 HydrophobicContact CB-CG 4.35Å; R604-K607 PolarHBondContact O-N 2.99Å | ||
| 605 | D | 88.9 | Confident | 90.7 | Very high | 141 Ų | 141 | 54.6 Ų | 54.6 | 75% | 0.754 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -9.2 | 177.9 | -59.4 | -52.6 | 0 | 0 | 0 | 113.1 | V603 | V603-D605 WeakPolarHBondContact CG1-OD1 3.32Š|
| 606 | D | 84.7 | Confident | 90.8 | Very high | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -8.8 | 172.7 | 67.8 | -62 | 0 | 0 | 0 | 114 | N309 R604 | N309-D606 PolarHBondContact ND2-O 3.47Å; N309-D606 VanDerWaalsContact ND2-O 3.14Å; R604-D606 IonicContact CZ-OD1 2.68Å; R604-D606 IonicContact CZ-OD2 2.68Å; R604-D606 IonicContact NE-OD1 3.12Å; R604-D606 PolarHBondContact NE-OD1 3.38Å; R604-D606 IonicContact NE-OD2 2.8Å; R604-D606 IonicContact NH2-OD1 3.38Å; R604-D606 PolarHBondContact NH2-OD1 2.94Å; R604-D606 IonicContact NH2-OD2 3.06Å; R604-D606 PolarHBondContact NH2-OD2 3.35Å; R604-D606 PolarHBondContact O-N 3.04Å; R604-D606 VanDerWaalsContact O-N 3.11Å |
| 607 | K | 89.3 | Confident | 91.1 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | trans | -120.1 | 136.2 | -173.3 | -74.4 | -170 | 154.6 | -156 | 0 | 112.8 | D483 V566 R604 D611 | D483-K607 HydrophobicContact CB-CD 4.07Å; D483-K607 VanDerWaalsContact OD2-CE 3.24Å; D483-K607 WeakPolarHBondContact OD2-CE 3.42Å; D483-K607 IonicContact OD2-NZ 3.9Å; D483-K607 PolarHBondContact OD2-NZ 2.92Å; V566-K607 HydrophobicContact CB-CB 4.24Å; V566-K607 HydrophobicContact CG1-CB 4.4Å; V566-K607 HydrophobicContact CG1-CD 4.23Å; V566-K607 HydrophobicContact CG2-CB 4.16Å; R604-K607 HydrophobicContact CB-CB 4.2Å; R604-K607 HydrophobicContact CB-CD 4.29Å; R604-K607 HydrophobicContact CB-CG 4.35Å; R604-K607 PolarHBondContact O-N 2.99Å; K607-D611 HydrophobicContact CB-CB 3.99Å; K607-D611 HydrophobicContact CD-CB 4.36Å; K607-D611 VanDerWaalsContact CE-O 3.28Å; K607-D611 WeakPolarHBondContact CE-O 3.24Å; K607-D611 HydrophobicContact CG-CB 4.07Å; K607-D611 PolarHBondContact NZ-O 2.9Å | ||
| 608 | N | 89.8 | Confident | 91.7 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | trans | -76.4 | 159.7 | 163.4 | -51.6 | -73.3 | 0 | 0 | 0 | 109.7 | V566 E610 D611 | V566-N608 WeakPolarHBondContact CG2-O 3.37Å; N608-E610 WeakPolarHBondContact CB-OE2 3.39Å; N608-E610 PolarHBondContact O-N 2.9Å; N608-D611 WeakPolarHBondContact CB-OD2 3.19Å; N608-D611 PolarHBondContact N-OD2 2.85Å; N608-D611 PolarHBondContact ND2-OD2 2.81Å; N608-D611 WeakPolarHBondContact O-CA 3.46Å; N608-D611 WeakPolarHBondContact O-CB 3.37Å; N608-D611 PolarHBondContact O-N 2.98Å | ||
| 609 | P | 93.6 | Very high | 91.8 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -48.6 | -37.5 | 172.3 | -29.1 | 36.5 | 0 | 0 | 0 | 114.2 | V485 Y515 P563 D611 A612 | V485-P609 HydrophobicContact CG1-CB 4.26Å; V485-P609 HydrophobicContact CG2-CB 4.16Å; V485-P609 VanDerWaalsContact CG2-O 3.3Å; V485-P609 WeakPolarHBondContact CG2-O 3.13Å; Y515-P609 HydrophobicContact CE1-CB 4.09Å; Y515-P609 VanDerWaalsContact OH-CB 3.23Å; Y515-P609 WeakPolarHBondContact OH-CB 3.49Å; P563-P609 HydrophobicContact CB-CB 4.35Å; P563-P609 WeakPolarHBondContact O-CG 3.42Å; P609-D611 VanDerWaalsContact C-N 3.28Å; P609-D611 PolarHBondContact O-N 3.15Å; P609-A612 VanDerWaalsContact O-CB 3.26Å; P609-A612 WeakPolarHBondContact O-CB 3.39Å; P609-A612 PolarHBondContact O-N 2.63Å |
| 610 | E | 90.9 | Very high | 91.8 | Very high | 95 Ų | 95 | 41.3 Ų | 41.3 | 44% | 0.444 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -74.3 | -14.5 | 178.1 | -54.4 | 80.1 | -177 | 0 | 0 | 113.2 | Y508 N608 A612 | Y508-E610 HydrophobicContact CD1-CB 4.31Å; Y508-E610 VanDerWaalsContact CD1-O 3.3Å; Y508-E610 WeakPolarHBondContact CD1-O 2.99Å; Y508-E610 HydrophobicContact CE1-CB 3.92Å; Y508-E610 HydrophobicContact CE1-CG 4.37Å; Y508-E610 HydrophobicContact CE2-CG 4.48Å; N608-E610 WeakPolarHBondContact CB-OE2 3.39Å; N608-E610 PolarHBondContact O-N 2.9Å; E610-A612 VanDerWaalsContact C-N 3.31Å |
| 611 | D | 90.9 | Very high | 91.4 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 23% | 0.225 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -87.9 | 7.4 | 174 | -67.3 | -69 | 0 | 0 | 0 | 113.2 | K607 N608 P609 | K607-D611 HydrophobicContact CB-CB 3.99Å; K607-D611 HydrophobicContact CD-CB 4.36Å; K607-D611 VanDerWaalsContact CE-O 3.28Å; K607-D611 WeakPolarHBondContact CE-O 3.24Å; K607-D611 HydrophobicContact CG-CB 4.07Å; K607-D611 PolarHBondContact NZ-O 2.9Å; N608-D611 WeakPolarHBondContact CB-OD2 3.19Å; N608-D611 PolarHBondContact N-OD2 2.85Å; N608-D611 PolarHBondContact ND2-OD2 2.81Å; N608-D611 WeakPolarHBondContact O-CA 3.46Å; N608-D611 WeakPolarHBondContact O-CB 3.37Å; N608-D611 PolarHBondContact O-N 2.98Å; P609-D611 VanDerWaalsContact C-N 3.28Å; P609-D611 PolarHBondContact O-N 3.15Å |
| 612 | A | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -60.3 | 170.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D483 V485 P609 E610 T614 | D483-A612 CarbonylContact O-C 3.57Å; D483-A612 WeakPolarHBondContact O-CA 3.47Å; D483-A612 WeakPolarHBondContact O-CB 3.24Å; V485-A612 HydrophobicContact CG2-CB 3.72Å; P609-A612 VanDerWaalsContact O-CB 3.26Å; P609-A612 WeakPolarHBondContact O-CB 3.39Å; P609-A612 PolarHBondContact O-N 2.63Å; E610-A612 VanDerWaalsContact C-N 3.31Å; A612-T614 PolarHBondContact O-N 2.78Å |
| 613 | T | 95.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 132.4 | 168 | -64.8 | 0 | 0 | 0 | 0 | 108.6 | L482 D483 C507 Y508 Q617 V618 | L482-T613 HydrophobicContact CD2-CG2 4.11Å; L482-T613 HydrophobicContact CG-CG2 4.39Å; D483-T613 PolarHBondContact N-OG1 2.87Å; D483-T613 PolarHBondContact O-N 3.21Å; D483-T613 PolarHBondContact O-OG1 3.07Å; C507-T613 WeakPolarHBondContact CA-O 3.18Å; C507-T613 VanDerWaalsContact CB-O 3.24Å; C507-T613 WeakPolarHBondContact CB-O 3.49Å; Y508-T613 PolarHBondContact N-O 2.85Å; T613-Q617 HydrophobicContact CG2-CB 3.72Å; T613-V618 HydrophobicContact CG2-CG2 4.06Å |
| 614 | T | 95.3 | Very high | 89.8 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 156.6 | -175 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | R463 Y508 P510 A612 E616 Q617 V618 | R463-T614 PolarHBondContact NH1-OG1 2.88Å; Y508-T614 CarbonylContact O-C 3.56Å; Y508-T614 WeakPolarHBondContact O-CA 3.24Å; P510-T614 HydrophobicContact CG-CG2 3.49Å; P510-T614 VanDerWaalsContact CG-CG2 3.49Å; A612-T614 PolarHBondContact O-N 2.78Å; T614-E616 VanDerWaalsContact C-N 3.29Å; T614-E616 PolarHBondContact O-N 3.02Å; T614-Q617 WeakPolarHBondContact O-CB 3.33Å; T614-Q617 PolarHBondContact O-N 3.1Å; T614-Q617 WeakPolarHBondContact OG1-CG 3.49Å; T614-Q617 PolarHBondContact OG1-OE1 2.9Å; T614-V618 PolarHBondContact O-N 3.41Å |
| 615 | A | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.3 | -47.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y508 D509 Q516 A583 M586 Q617 V618 A619 | Y508-A615 PolarHBondContact O-N 2.81Å; D509-A615 HydrophobicContact CB-CB 4.23Å; Q516-A615 VanDerWaalsContact OE1-CB 3.26Å; A583-A615 HydrophobicContact CB-CB 4.43Å; A583-A615 WeakPolarHBondContact CB-O 3.36Å; M586-A615 HydrophobicContact CE-CB 3.84Å; M586-A615 HydrophobicContact SD-CB 4.02Å; A615-Q617 VanDerWaalsContact C-N 3.33Å; A615-Q617 PolarHBondContact O-N 3.17Å; A615-V618 WeakPolarHBondContact O-CA 3.31Å; A615-V618 WeakPolarHBondContact O-CB 3.07Å; A615-V618 PolarHBondContact O-N 3.16Å; A615-A619 PolarHBondContact O-N 2.85Å |
| 616 | E | 92.9 | Very high | 87.3 | Confident | 103 Ų | 103 | 36 Ų | 36 | 48% | 0.481 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -51.4 | -46.5 | 171.9 | -177 | -175.8 | -142.7 | 0 | 0 | 112.7 | T614 V618 A619 E620 | T614-E616 VanDerWaalsContact C-N 3.29Å; T614-E616 PolarHBondContact O-N 3.02Å; E616-V618 VanDerWaalsContact C-N 3.29Å; E616-V618 PolarHBondContact O-N 3.19Å; E616-A619 WeakPolarHBondContact O-CB 3.35Å; E616-A619 PolarHBondContact O-N 3.23Å; E616-A619 VanDerWaalsContact O-N 3.15Å; E616-E620 WeakPolarHBondContact O-CG 3.48Å; E616-E620 PolarHBondContact O-N 3.35Å |
| 617 | Q | 90 | Very high | 86.2 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.1 | -31.8 | 176.3 | -71.9 | -178.3 | -69 | 0 | 0 | 113.2 | R463 T613 T614 A615 M621 | R463-Q617 VanDerWaalsContact NH1-CG 3.31Å; R463-Q617 VanDerWaalsContact NH1-OE1 3.07Å; T613-Q617 HydrophobicContact CG2-CB 3.72Å; T614-Q617 WeakPolarHBondContact O-CB 3.33Å; T614-Q617 PolarHBondContact O-N 3.1Å; T614-Q617 WeakPolarHBondContact OG1-CG 3.49Å; T614-Q617 PolarHBondContact OG1-OE1 2.9Å; A615-Q617 VanDerWaalsContact C-N 3.33Å; A615-Q617 PolarHBondContact O-N 3.17Å; Q617-M621 VanDerWaalsContact O-CB 3.26Å; Q617-M621 WeakPolarHBondContact O-CB 3.45Å; Q617-M621 WeakPolarHBondContact O-CG 3.39Å; Q617-M621 PolarHBondContact O-N 3.25Å |
| 618 | V | 92.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.5 | -40.4 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | L482 C507 I518 L574 A582 A583 I593 T613 T614 A615 E616 M621 Y622 | L482-V618 HydrophobicContact CD2-CG2 4.05Å; C507-V618 HydrophobicContact CB-CG2 3.86Å; I518-V618 HydrophobicContact CD1-CB 4.34Å; I518-V618 HydrophobicContact CD1-CG1 3.68Å; I518-V618 HydrophobicContact CD1-CG2 3.62Å; I518-V618 HydrophobicContact CG1-CG1 4.5Å; L574-V618 HydrophobicContact CD2-CG1 4.22Å; A582-V618 HydrophobicContact CB-CG1 4.27Å; A583-V618 HydrophobicContact CB-CB 4.33Å; A583-V618 HydrophobicContact CB-CG1 4.39Å; I593-V618 HydrophobicContact CB-CG1 3.71Å; I593-V618 HydrophobicContact CD1-CG1 4.09Å; I593-V618 HydrophobicContact CG2-CG1 3.51Å; T613-V618 HydrophobicContact CG2-CG2 4.06Å; T614-V618 PolarHBondContact O-N 3.41Å; A615-V618 WeakPolarHBondContact O-CA 3.31Å; A615-V618 WeakPolarHBondContact O-CB 3.07Å; A615-V618 PolarHBondContact O-N 3.16Å; E616-V618 VanDerWaalsContact C-N 3.29Å; E616-V618 PolarHBondContact O-N 3.19Å; V618-M621 PolarHBondContact O-N 3.48Å; V618-Y622 WeakPolarHBondContact O-CB 3.37Å; V618-Y622 PolarHBondContact O-N 2.96Å |
| 619 | A | 91.6 | Very high | 83.6 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A583 M586 V587 A615 E616 Y622 N623 | A583-A619 HydrophobicContact CB-CB 4.04Å; M586-A619 HydrophobicContact CB-CB 3.87Å; M586-A619 HydrophobicContact SD-CB 4.3Å; V587-A619 HydrophobicContact CG2-CB 3.57Å; A615-A619 PolarHBondContact O-N 2.85Å; E616-A619 WeakPolarHBondContact O-CB 3.35Å; E616-A619 PolarHBondContact O-N 3.23Å; E616-A619 VanDerWaalsContact O-N 3.15Å; A619-Y622 PolarHBondContact O-N 3.22Å; A619-N623 WeakPolarHBondContact O-CB 3.48Å; A619-N623 PolarHBondContact O-N 3.33Å; A619-N623 PolarHBondContact O-ND2 2.67Å |
| 620 | E | 85.7 | Confident | 81.5 | Confident | 57 Ų | 57 | 41.7 Ų | 41.7 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.9 | -51.2 | 173.6 | -69.5 | 176.7 | 145.5 | 0 | 0 | 111.2 | F266 H465 E616 Y622 N623 S624 | F266-E620 WeakPolarHBondContact CD1-OE2 3.39Å; F266-E620 VanDerWaalsContact CE1-OE1 3.31Å; F266-E620 WeakPolarHBondContact CE1-OE1 3.28Å; F266-E620 WeakPolarHBondContact CE1-OE2 3.36Å; H465-E620 IonicContact CE1-OE1 3.61Å; H465-E620 PolarHBondContact CE1-OE1 2.9Å; E616-E620 WeakPolarHBondContact O-CG 3.48Å; E616-E620 PolarHBondContact O-N 3.35Å; E620-Y622 VanDerWaalsContact C-N 3.27Å; E620-Y622 PolarHBondContact O-N 2.99Å; E620-N623 PolarHBondContact O-N 3.44Å; E620-S624 WeakPolarHBondContact O-CB 3.33Å; E620-S624 PolarHBondContact O-N 3.38Å; E620-S624 PolarHBondContact O-OG 2.88Å |
| 621 | M | 85.7 | Confident | 79.9 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.9 | -40.6 | 179.8 | -78.6 | 172.6 | 179.8 | 0 | 0 | 112.1 | P267 K269 L482 L574 Q617 V618 Q625 | P267-M621 HydrophobicContact CG-CE 4.08Å; K269-M621 PolarHBondContact NZ-O 2.99Å; L482-M621 HydrophobicContact CD1-SD 4.3Å; L482-M621 HydrophobicContact CD2-SD 4.07Å; L482-M621 HydrophobicContact CG-SD 3.89Å; L574-M621 HydrophobicContact CD1-CB 4.28Å; L574-M621 HydrophobicContact CD2-CB 3.92Å; Q617-M621 VanDerWaalsContact O-CB 3.26Å; Q617-M621 WeakPolarHBondContact O-CB 3.45Å; Q617-M621 WeakPolarHBondContact O-CG 3.39Å; Q617-M621 PolarHBondContact O-N 3.25Å; V618-M621 PolarHBondContact O-N 3.48Å; M621-Q625 WeakPolarHBondContact O-CG 3.45Å |
| 622 | Y | 85.9 | Confident | 78.4 | Confident | 24 Ų | 24 | 45 Ų | 45 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.3 | -48.5 | 176.8 | 177.1 | -84.6 | 0 | 0 | 0 | 112.9 | L574 L576 V587 I593 V618 A619 E620 S624 Q625 V628 | L574-Y622 HydrophobicContact CB-CD2 4.09Å; L576-Y622 HydrophobicContact CD2-CE2 4.45Å; L576-Y622 HydrophobicContact CG-CE1 4.44Å; L576-Y622 HydrophobicContact CG-CE2 4Å; L576-Y622 WeakPolarHBondContact CG-OH 3.49Å; V587-Y622 HydrophobicContact CB-CD1 4.48Å; V587-Y622 HydrophobicContact CG1-CD1 3.43Å; V587-Y622 VanDerWaalsContact CG1-CD1 3.43Å; V587-Y622 HydrophobicContact CG1-CE1 3.47Å; V587-Y622 VanDerWaalsContact CG1-CE1 3.47Å; V587-Y622 HydrophobicContact CG1-CG 4.42Å; V587-Y622 HydrophobicContact CG2-CD1 4.39Å; I593-Y622 VanDerWaalsContact CD1-CB 3.43Å; I593-Y622 HydrophobicContact CD1-CD1 4.28Å; I593-Y622 HydrophobicContact CD1-CD2 4.18Å; I593-Y622 HydrophobicContact CD1-CG 3.69Å; I593-Y622 HydrophobicContact CG1-CD2 4.04Å; I593-Y622 HydrophobicContact CG1-CG 4.07Å; I593-Y622 HydrophobicContact CG2-CD2 4.28Å; V618-Y622 WeakPolarHBondContact O-CB 3.37Å; V618-Y622 PolarHBondContact O-N 2.96Å; A619-Y622 PolarHBondContact O-N 3.22Å; E620-Y622 VanDerWaalsContact C-N 3.27Å; E620-Y622 PolarHBondContact O-N 2.99Å; Y622-S624 PolarHBondContact O-N 2.83Å; Y622-Q625 VanDerWaalsContact CD2-NE2 3.27Å; Y622-Q625 WeakPolarHBondContact O-CB 3.34Å; Y622-Q625 VanDerWaalsContact O-CG 3.25Å; Y622-Q625 WeakPolarHBondContact O-CG 3.49Å; Y622-Q625 PolarHBondContact O-N 2.92Å; Y622-Q625 PolarHBondContact O-NE2 2.8Å; Y622-Q625 VanDerWaalsContact O-NE2 3.14Å; Y622-V628 HydrophobicContact CD1-CG1 4.34Å; Y622-V628 HydrophobicContact CD1-CG2 4.32Å; Y622-V628 HydrophobicContact CE1-CB 4.45Å; Y622-V628 HydrophobicContact CE1-CG1 3.82Å; Y622-V628 HydrophobicContact CE1-CG2 3.74Å; Y622-V628 HydrophobicContact CE2-CG2 4.18Å |
| 623 | N | 81.8 | Confident | 76.3 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -32.8 | 179.9 | -81.9 | -60.6 | 0 | 0 | 0 | 112.1 | A619 E620 Q625 K632 | A619-N623 WeakPolarHBondContact O-CB 3.48Å; A619-N623 PolarHBondContact O-N 3.33Å; A619-N623 PolarHBondContact O-ND2 2.67Å; E620-N623 PolarHBondContact O-N 3.44Å; N623-Q625 PolarHBondContact O-N 3.22Å; N623-K632 PolarHBondContact OD1-NZ 2.75Å |
| 624 | S | 75.9 | Confident | 74 | Confident | 30 Ų | 30 | 55.1 Ų | 55.1 | 21% | 0.21 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 20 | 178.4 | -65.7 | 0 | 0 | 0 | 0 | 113.9 | K269 E620 Y622 | K269-S624 WeakPolarHBondContact CD-O 3.31Å; K269-S624 VanDerWaalsContact NZ-C 3.26Å; K269-S624 PolarHBondContact NZ-O 3.27Å; E620-S624 WeakPolarHBondContact O-CB 3.33Å; E620-S624 PolarHBondContact O-N 3.38Å; E620-S624 PolarHBondContact O-OG 2.88Å; Y622-S624 PolarHBondContact O-N 2.83Å |
| 625 | Q | 69.8 | Low | 71.8 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 5% | 0.051 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -87.7 | 138 | 172.3 | -62.2 | 177.3 | 126.2 | 0 | 0 | 110.4 | D573 L574 M621 Y622 N623 Q627 V628 K629 | D573-Q625 PolarHBondContact OD1-OE1 3.24Å; L574-Q625 VanDerWaalsContact CA-OE1 3.31Å; L574-Q625 VanDerWaalsContact CB-OE1 3.3Å; L574-Q625 PolarHBondContact O-NE2 3.39Å; L574-Q625 PolarHBondContact O-OE1 2.85Å; L574-Q625 VanDerWaalsContact O-OE1 3.11Å; M621-Q625 WeakPolarHBondContact O-CG 3.45Å; Y622-Q625 VanDerWaalsContact CD2-NE2 3.27Å; Y622-Q625 WeakPolarHBondContact O-CB 3.34Å; Y622-Q625 VanDerWaalsContact O-CG 3.25Å; Y622-Q625 WeakPolarHBondContact O-CG 3.49Å; Y622-Q625 PolarHBondContact O-N 2.92Å; Y622-Q625 PolarHBondContact O-NE2 2.8Å; Y622-Q625 VanDerWaalsContact O-NE2 3.14Å; N623-Q625 PolarHBondContact O-N 3.22Å; Q625-Q627 VanDerWaalsContact C-N 3.31Å; Q625-Q627 PolarHBondContact O-N 3.1Å; Q625-V628 HydrophobicContact CB-CB 4.33Å; Q625-V628 HydrophobicContact CB-CG2 4.07Å; Q625-V628 PolarHBondContact O-N 3.12Å; Q625-K629 PolarHBondContact O-N 2.89Å |
| 626 | E | 62.9 | Low | 69 | Low | 121 Ų | 121 | 64.8 Ų | 64.8 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -56.1 | -44 | -177.8 | -65.3 | -49.8 | 119.2 | 0 | 0 | 112.6 | V628 K629 S630 | E626-V628 VanDerWaalsContact C-N 3.26Å; E626-V628 PolarHBondContact O-N 2.86Å; E626-K629 PolarHBondContact O-N 3.25Å; E626-K629 WeakPolarHBondContact OE1-CE 3.47Å; E626-K629 IonicContact OE1-NZ 2.82Å; E626-K629 PolarHBondContact OE1-NZ 3.31Å; E626-K629 IonicContact OE2-NZ 3.17Å; E626-S630 PolarHBondContact O-N 3.31Å; E626-S630 PolarHBondContact O-OG 2.87Å; E626-S630 VanDerWaalsContact O-OG 3.11Å |
| 627 | Q | 61.4 | Low | 66.1 | Low | 130 Ų | 130 | 62.7 Ų | 62.7 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.2 | -37.7 | 177.2 | -61.9 | -179.2 | 15.8 | 0 | 0 | 112.7 | Q625 Q631 | Q625-Q627 VanDerWaalsContact C-N 3.31Å; Q625-Q627 PolarHBondContact O-N 3.1Å; Q627-Q631 WeakPolarHBondContact O-CG 3.38Å; Q627-Q631 PolarHBondContact O-N 3.16Å; Q627-Q631 VanDerWaalsContact O-N 3.08Å |
| 628 | V | 58.6 | Low | 63.4 | Low | 9 Ų | 9 | 70.6 Ų | 70.6 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -76.5 | -37 | 179.3 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | Y622 Q625 E626 Q631 K632 | Y622-V628 HydrophobicContact CD1-CG1 4.34Å; Y622-V628 HydrophobicContact CD1-CG2 4.32Å; Y622-V628 HydrophobicContact CE1-CB 4.45Å; Y622-V628 HydrophobicContact CE1-CG1 3.82Å; Y622-V628 HydrophobicContact CE1-CG2 3.74Å; Y622-V628 HydrophobicContact CE2-CG2 4.18Å; Q625-V628 HydrophobicContact CB-CB 4.33Å; Q625-V628 HydrophobicContact CB-CG2 4.07Å; Q625-V628 PolarHBondContact O-N 3.12Å; E626-V628 VanDerWaalsContact C-N 3.26Å; E626-V628 PolarHBondContact O-N 2.86Å; V628-Q631 PolarHBondContact O-N 2.71Å; V628-K632 WeakPolarHBondContact O-CG 3.4Å; V628-K632 PolarHBondContact O-N 2.63Å; V628-K632 VanDerWaalsContact O-N 3.07Å |
| 629 | K | 64.5 | Low | 60.5 | Low | 99 Ų | 99 | 78.2 Ų | 78.2 | 43% | 0.43 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 171.9 | -66.2 | 176.3 | -172.1 | 169.3 | 0 | 111.1 | Q625 E626 K632 A633 | Q625-K629 PolarHBondContact O-N 2.89Å; E626-K629 PolarHBondContact O-N 3.25Å; E626-K629 WeakPolarHBondContact OE1-CE 3.47Å; E626-K629 IonicContact OE1-NZ 2.82Å; E626-K629 PolarHBondContact OE1-NZ 3.31Å; E626-K629 IonicContact OE2-NZ 3.17Å; K629-K632 PolarHBondContact O-N 3.19Å; K629-A633 WeakPolarHBondContact O-CB 3.02Å; K629-A633 PolarHBondContact O-N 3.44Å |
| 630 | S | 50.4 | Low | 57.7 | Low | 63 Ų | 63 | 85.8 Ų | 85.8 | 44% | 0.441 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | E626 A633 Q634 | E626-S630 PolarHBondContact O-N 3.31Å; E626-S630 PolarHBondContact O-OG 2.87Å; E626-S630 VanDerWaalsContact O-OG 3.11Å; S630-A633 PolarHBondContact O-N 3.39Å; S630-Q634 WeakPolarHBondContact O-CG 3.49Å; S630-Q634 PolarHBondContact O-N 3.48Å |
| 631 | Q | 56.6 | Low | 55 | Low | 98 Ų | 98 | 91.4 Ų | 91.4 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 174.8 | -77.6 | 170.5 | -9.7 | 0 | 0 | 111.9 | Q627 V628 A633 Q634 E635 | Q627-Q631 WeakPolarHBondContact O-CG 3.38Å; Q627-Q631 PolarHBondContact O-N 3.16Å; Q627-Q631 VanDerWaalsContact O-N 3.08Å; V628-Q631 PolarHBondContact O-N 2.71Å; Q631-A633 VanDerWaalsContact C-N 3.25Å; Q631-A633 PolarHBondContact O-N 2.99Å; Q631-Q634 PolarHBondContact O-N 2.95Å; Q631-E635 WeakPolarHBondContact O-CG 3.43Å; Q631-E635 PolarHBondContact O-N 2.96Å |
| 632 | K | 59.6 | Low | 52.3 | Low | 110 Ų | 110 | 99.2 Ų | 99.2 | 48% | 0.478 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -30 | 177.1 | -69.8 | -174.4 | -179.1 | -174.5 | 0 | 113.6 | N623 V628 K629 Q634 G636 | N623-K632 PolarHBondContact OD1-NZ 2.75Å; V628-K632 WeakPolarHBondContact O-CG 3.4Å; V628-K632 PolarHBondContact O-N 2.63Å; V628-K632 VanDerWaalsContact O-N 3.07Å; K629-K632 PolarHBondContact O-N 3.19Å; K632-Q634 VanDerWaalsContact C-N 3.33Å; K632-G636 PolarHBondContact O-N 3.18Å |
| 633 | A | 52.1 | Low | 50 | Low | 75 Ų | 75 | 112.1 Ų | 112.1 | 62% | 0.62 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.7 | -22 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K629 S630 Q631 | K629-A633 WeakPolarHBondContact O-CB 3.02Å; K629-A633 PolarHBondContact O-N 3.44Å; S630-A633 PolarHBondContact O-N 3.39Å; Q631-A633 VanDerWaalsContact C-N 3.25Å; Q631-A633 PolarHBondContact O-N 2.99Å |
| 634 | Q | 45.4 | Very low | 48.4 | Very low | 144 Ų | 144 | 115.3 Ų | 115.3 | 67% | 0.673 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -85.7 | -44.5 | 172.6 | -72.8 | 175.2 | -26.4 | 0 | 0 | 111.4 | S630 Q631 K632 G636 G637 | S630-Q634 WeakPolarHBondContact O-CG 3.49Å; S630-Q634 PolarHBondContact O-N 3.48Å; Q631-Q634 PolarHBondContact O-N 2.95Å; K632-Q634 VanDerWaalsContact C-N 3.33Å; Q634-G636 VanDerWaalsContact C-N 3.3Å; Q634-G636 PolarHBondContact O-N 3.04Å; Q634-G637 PolarHBondContact O-N 2.91Å |
| 635 | E | 49.8 | Very low | 47 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 66% | 0.664 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.9 | -35.3 | 175.7 | -69.4 | 173.4 | 167.5 | 0 | 0 | 112.1 | Q631 G637 | Q631-E635 WeakPolarHBondContact O-CG 3.43Å; Q631-E635 PolarHBondContact O-N 2.96Å; E635-G637 PolarHBondContact O-N 2.8Å |
| 636 | G | 37 | Very low | 45.7 | Very low | 69 Ų | 69 | 125.8 Ų | 125.8 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 10.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.1 | K632 Q634 | K632-G636 PolarHBondContact O-N 3.18Å; Q634-G636 VanDerWaalsContact C-N 3.3Å; Q634-G636 PolarHBondContact O-N 3.04Å |
| 637 | G | 30.5 | Very low | 44.7 | Very low | 59 Ų | 59 | 126.1 Ų | 126.1 | 61% | 0.608 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -2.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q634 E635 | Q634-G637 PolarHBondContact O-N 2.91Å; E635-G637 PolarHBondContact O-N 2.8Å |
| 638 | E | 34.2 | Very low | 43.7 | Very low | 172 Ų | 172 | 125.9 Ų | 125.9 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -118.5 | 3.8 | -173 | -74.4 | -171.1 | 160.8 | 0 | 0 | 115.6 | ||
| 639 | D | 31.9 | Very low | 42.7 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 86% | 0.856 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -104.2 | 24.2 | -178.7 | -93.2 | -12.9 | 0 | 0 | 0 | 114.4 | ||
| 640 | D | 32.8 | Very low | 41.1 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -132.2 | 34.8 | 172.6 | -97.9 | -32.1 | 0 | 0 | 0 | 112.4 | ||
| 641 | E | 28.8 | Very low | 40.4 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -119.2 | 118.7 | 163.4 | -78.9 | -159.5 | 161.5 | 0 | 0 | 112.8 | ||
| 642 | F | 27.9 | Very low | 39.1 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 77% | 0.772 | 76% | 0.755 | S | S | * | * | trans | 63.4 | 91.4 | 163.1 | -82.1 | -98.3 | 0 | 0 | 0 | 119 | ||||
| 643 | Y | 38.6 | Very low | 37.2 | Very low | 295 Ų | 295 | 148.6 Ų | 148.6 | 100% | 1.157 | 78% | 0.78 | S | S | * | * | -157.8 | 0 | 88.1 | -110.4 | -71.6 | 0 | 0 | 0 | 114 |
Retrieved 643 of 643 residues in 324.1 ms
(Link to these results)