| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.9 | Very low | 53 | Low | 228 Ų | 228 | 117.7 Ų | 117.7 | 100% | 1.123 | 72% | 0.72 | S | S | * | * | 0 | 87.2 | 0 | -72.5 | 174.6 | 166.2 | 0 | 0 | 108.8 | |||||
| 2 | F | 41.7 | Very low | 55.7 | Low | 219 Ų | 219 | 112.8 Ų | 112.8 | 96% | 0.961 | 69% | 0.69 | S | S | * | * | trans | -152.6 | 80.4 | 166 | -73.1 | -68.8 | 0 | 0 | 0 | 108.2 | G4 | F2-G4 PolarHBondContact O-N 3.3Š| ||
| 3 | G | 33.8 | Very low | 58.1 | Low | 86 Ų | 86 | 108.8 Ų | 108.8 | 89% | 0.887 | 67% | 0.666 | S | S | * | * | trans | -83.5 | 91.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G5 | G3-G5 PolarHBondContact O-N 3.42Š| ||
| 4 | G | 37.9 | Very low | 60.3 | Low | 69 Ų | 69 | 101.5 Ų | 101.5 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | trans | -77.9 | 102.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | F2 K6 | F2-G4 PolarHBondContact O-N 3.3Å; G4-K6 PolarHBondContact O-N 3.27Å; G4-K6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | G | 41 | Very low | 62.4 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 83% | 0.825 | 58% | 0.579 | S | S | * | * | trans | -58.7 | 110.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G3 G7 | G3-G5 PolarHBondContact O-N 3.42Å; G5-G7 PolarHBondContact O-N 3.03Å | ||
| 6 | K | 53.7 | Low | 64.1 | Low | 182 Ų | 182 | 94.3 Ų | 94.3 | 79% | 0.791 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 120.7 | 168.7 | -68.2 | -177.5 | 177.2 | -178.8 | 0 | 107 | G4 | G4-K6 PolarHBondContact O-N 3.27Å; G4-K6 VanDerWaalsContact O-N 3.08Å |
| 7 | G | 58.5 | Low | 65.6 | Low | 70 Ų | 70 | 91.7 Ų | 91.7 | 72% | 0.722 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 140.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G5 | G5-G7 PolarHBondContact O-N 3.03Š|
| 8 | Q | 62.8 | Low | 67 | Low | 184 Ų | 184 | 86.6 Ų | 86.6 | 86% | 0.86 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 140.7 | 176.4 | -74.1 | 176.2 | -23.4 | 0 | 0 | 110 | ||
| 9 | P | 69.3 | Low | 68.1 | Low | 19 Ų | 19 | 90.3 Ų | 90.3 | 12% | 0.123 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 149 | 177.4 | 26.9 | -32.4 | 0 | 0 | 0 | 110.6 | D11 T12 Y15 P22 D72 | P9-D11 VanDerWaalsContact C-N 3.29Å; P9-D11 PolarHBondContact O-N 2.89Å; P9-T12 HydrophobicContact CG-CG2 4.47Å; P9-Y15 HydrophobicContact CB-CE2 4.39Å; P9-Y15 HydrophobicContact CG-CE2 4.17Å; P9-P22 HydrophobicContact CG-CB 3.4Å; P9-P22 VanDerWaalsContact CG-CB 3.4Å; P9-P22 HydrophobicContact CG-CG 4.36Å; P9-D72 HydrophobicContact CB-CB 4.23Å |
| 10 | V | 70 | Confident | 69.2 | Low | 103 Ų | 103 | 86.8 Ų | 86.8 | 62% | 0.624 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -65.1 | -34.3 | -178.6 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | D72 | V10-D72 PolarHBondContact N-O 3.27Š|
| 11 | D | 78.5 | Confident | 70.1 | Confident | 55 Ų | 55 | 85.9 Ų | 85.9 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | trans | -126.4 | 138.7 | 174.7 | -78.6 | -29.8 | 0 | 0 | 0 | 110.9 | P9 Y71 G75 V76 | P9-D11 VanDerWaalsContact C-N 3.29Å; P9-D11 PolarHBondContact O-N 2.89Å; D11-Y71 HydrophobicContact CB-CE2 4.15Å; D11-Y71 PolarHBondContact O-OH 3.46Å; D11-G75 WeakPolarHBondContact OD2-CA 3.4Å; D11-V76 PolarHBondContact OD2-N 3.04Å | ||
| 12 | T | 85.3 | Confident | 72.5 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 36% | 0.362 | 47% | 0.469 | S | S | . | . | trans | -103.5 | -2.1 | 175.5 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | P9 L14 Y15 D16 | P9-T12 HydrophobicContact CG-CG2 4.47Å; T12-L14 PolarHBondContact O-N 3.47Å; T12-Y15 WeakPolarHBondContact O-CA 3.26Å; T12-Y15 WeakPolarHBondContact O-CB 3.38Å; T12-Y15 PolarHBondContact O-N 3.24Å; T12-D16 WeakPolarHBondContact CB-OD2 3.47Å; T12-D16 VanDerWaalsContact O-CG 3.23Å; T12-D16 PolarHBondContact O-N 3Å; T12-D16 VanDerWaalsContact O-OD2 3.11Å; T12-D16 PolarHBondContact OG1-OD2 2.77Å | ||
| 13 | T | 87.5 | Confident | 74.5 | Confident | 61 Ų | 61 | 72 Ų | 72 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -53.1 | -43.1 | -169.7 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | D16 I17 Y71 V76 | T13-D16 PolarHBondContact O-N 2.74Å; T13-I17 VanDerWaalsContact O-CG1 3.32Å; T13-I17 WeakPolarHBondContact O-CG1 3.21Å; T13-I17 PolarHBondContact O-N 3.31Å; T13-I17 VanDerWaalsContact O-N 3.14Å; T13-Y71 PolarHBondContact N-OH 2.89Å; T13-Y71 VanDerWaalsContact N-OH 3.12Å; T13-Y71 PolarHBondContact OG1-OH 2.72Å; T13-V76 WeakPolarHBondContact OG1-CG2 3.27Å |
| 14 | L | 88.7 | Confident | 77 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -74.1 | -32.1 | 179.6 | -61 | -177 | 0 | 0 | 0 | 112.4 | T12 I17 L18 F57 A58 V61 L62 Y71 L79 | T12-L14 PolarHBondContact O-N 3.47Å; L14-I17 HydrophobicContact CD2-CD1 4.25Å; L14-L18 PolarHBondContact O-N 3.49Å; L14-F57 HydrophobicContact CD2-CD1 4.03Å; L14-F57 HydrophobicContact CD2-CE1 4.09Å; L14-A58 HydrophobicContact CB-CB 4.25Å; L14-A58 HydrophobicContact CD2-CB 4.1Å; L14-V61 HydrophobicContact CD1-CB 3.79Å; L14-V61 HydrophobicContact CD1-CG1 3.59Å; L14-V61 HydrophobicContact CD1-CG2 4.18Å; L14-L62 HydrophobicContact CB-CD1 4Å; L14-L62 HydrophobicContact CB-CG 4.33Å; L14-Y71 HydrophobicContact CB-CE1 3.89Å; L14-Y71 HydrophobicContact CB-CE2 4.4Å; L14-Y71 HydrophobicContact CD1-CD1 4.07Å; L14-Y71 HydrophobicContact CD1-CD2 3.63Å; L14-Y71 HydrophobicContact CD1-CE1 3.93Å; L14-Y71 HydrophobicContact CD1-CE2 3.5Å; L14-Y71 VanDerWaalsContact CD1-CE2 3.5Å; L14-Y71 HydrophobicContact CD1-CG 3.91Å; L14-Y71 HydrophobicContact CG-CD2 4.31Å; L14-Y71 HydrophobicContact CG-CE1 4.04Å; L14-Y71 HydrophobicContact CG-CE2 3.65Å; L14-Y71 VanDerWaalsContact CG-CZ 3.48Å; L14-Y71 PolarHBondContact N-OH 3.41Å; L14-L79 HydrophobicContact CD1-CD1 4.39Å |
| 15 | Y | 91.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.6 | -37.4 | 174.3 | -65.7 | -75.7 | 0 | 0 | 0 | 110.7 | P9 T12 L18 H19 V20 P22 L62 R68 Y71 D72 | P9-Y15 HydrophobicContact CB-CE2 4.39Å; P9-Y15 HydrophobicContact CG-CE2 4.17Å; T12-Y15 WeakPolarHBondContact O-CA 3.26Å; T12-Y15 WeakPolarHBondContact O-CB 3.38Å; T12-Y15 PolarHBondContact O-N 3.24Å; Y15-L18 CarbonylContact O-C 3.58Å; Y15-L18 PolarHBondContact O-N 2.93Å; Y15-H19 PolarHBondContact O-N 3.08Å; Y15-V20 HydrophobicContact CD1-CG2 3.96Å; Y15-V20 PolarHBondContact O-N 3.01Å; Y15-P22 HydrophobicContact CD2-CB 4.16Å; Y15-P22 HydrophobicContact CE2-CB 4.31Å; Y15-P22 HydrophobicContact CG-CB 4.35Å; Y15-L62 HydrophobicContact CD1-CD1 3.99Å; Y15-L62 HydrophobicContact CD1-CD2 4.28Å; Y15-L62 HydrophobicContact CE1-CD1 4.13Å; Y15-L62 HydrophobicContact CE1-CD2 3.66Å; Y15-L62 HydrophobicContact CE2-CD2 4.07Å; Y15-L62 HydrophobicContact CG-CD1 4.45Å; Y15-R68 PolarHBondContact OH-NE 3.28Å; Y15-R68 VanDerWaalsContact OH-NE 3.13Å; Y15-Y71 AromaticContact CD2-CE1 3.91Å; Y15-Y71 HydrophobicContact CD2-CE1 3.91Å; Y15-Y71 HydrophobicContact CE2-CD1 4.08Å; Y15-Y71 AromaticContact CE2-CE1 3.69Å; Y15-Y71 HydrophobicContact CE2-CE1 3.69Å; Y15-D72 WeakPolarHBondContact CE2-OD1 3.4Å; Y15-D72 PolarHBondContact OH-OD1 3.45Å; Y15-D72 PolarHBondContact OH-OD2 2.93Å |
| 16 | D | 89.9 | Confident | 81.7 | Confident | 87 Ų | 87 | 68.2 Ų | 68.2 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 177.5 | -64 | -35.1 | 0 | 0 | 0 | 112 | T12 T13 L18 H19 | T12-D16 WeakPolarHBondContact CB-OD2 3.47Å; T12-D16 VanDerWaalsContact O-CG 3.23Å; T12-D16 PolarHBondContact O-N 3Å; T12-D16 VanDerWaalsContact O-OD2 3.11Å; T12-D16 PolarHBondContact OG1-OD2 2.77Å; T13-D16 PolarHBondContact O-N 2.74Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 2.86Å; D16-H19 PolarHBondContact O-N 2.9Å; D16-H19 VanDerWaalsContact O-N 3.14Å; D16-H19 PolarHBondContact O-ND1 3.16Å |
| 17 | I | 89.6 | Confident | 83.4 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 174.9 | -69.4 | 163.6 | 0 | 0 | 0 | 111.7 | T13 L14 H19 E54 I55 A58 | T13-I17 VanDerWaalsContact O-CG1 3.32Å; T13-I17 WeakPolarHBondContact O-CG1 3.21Å; T13-I17 PolarHBondContact O-N 3.31Å; T13-I17 VanDerWaalsContact O-N 3.14Å; L14-I17 HydrophobicContact CD2-CD1 4.25Å; I17-H19 VanDerWaalsContact C-N 3.3Å; I17-E54 HydrophobicContact CD1-CB 4.42Å; I17-E54 HydrophobicContact CG2-CB 4.22Å; I17-I55 HydrophobicContact CG2-CG1 4.16Å; I17-A58 HydrophobicContact CB-CB 4.27Å; I17-A58 HydrophobicContact CG2-CB 4.01Å |
| 18 | L | 89.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.6 | 178.3 | -71.4 | -176 | 0 | 0 | 0 | 113.4 | L14 Y15 D16 V20 I29 S32 L36 I55 A58 L62 | L14-L18 PolarHBondContact O-N 3.49Å; Y15-L18 CarbonylContact O-C 3.58Å; Y15-L18 PolarHBondContact O-N 2.93Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 2.86Å; L18-V20 HydrophobicContact CB-CG2 3.78Å; L18-V20 PolarHBondContact O-N 2.84Å; L18-I29 HydrophobicContact CD1-CG2 3.91Å; L18-S32 WeakPolarHBondContact O-CB 3.41Å; L18-S32 PolarHBondContact O-OG 2.91Å; L18-L36 HydrophobicContact CD2-CD1 4.17Å; L18-I55 HydrophobicContact CD2-CG2 3.99Å; L18-A58 HydrophobicContact CD1-CB 4.17Å; L18-A58 HydrophobicContact CD2-CB 4.34Å; L18-A58 HydrophobicContact CG-CB 3.85Å; L18-L62 HydrophobicContact CD1-CD1 3.76Å |
| 19 | H | 88.8 | Confident | 86.2 | Confident | 156 Ų | 156 | 59 Ų | 59 | 72% | 0.722 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 41.8 | -175.2 | -61 | -56.5 | 0 | 0 | 0 | 113.6 | Y15 D16 I17 | Y15-H19 PolarHBondContact O-N 3.08Å; D16-H19 PolarHBondContact O-N 2.9Å; D16-H19 VanDerWaalsContact O-N 3.14Å; D16-H19 PolarHBondContact O-ND1 3.16Å; I17-H19 VanDerWaalsContact C-N 3.3Å |
| 20 | V | 90.9 | Very high | 87.3 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 12% | 0.121 | 35% | 0.346 | C | S | . | . | trans | -119.4 | 152.6 | 179.4 | -72.4 | 0 | 0 | 0 | 0 | 110.9 | Y15 L18 A24 I29 S32 | Y15-V20 HydrophobicContact CD1-CG2 3.96Å; Y15-V20 PolarHBondContact O-N 3.01Å; L18-V20 HydrophobicContact CB-CG2 3.78Å; L18-V20 PolarHBondContact O-N 2.84Å; V20-A24 HydrophobicContact CB-CB 3.86Å; V20-A24 HydrophobicContact CG1-CB 4.44Å; V20-A24 HydrophobicContact CG2-CB 4.43Å; V20-I29 HydrophobicContact CG2-CG1 4.44Å; V20-S32 WeakPolarHBondContact CG1-OG 3.36Å | ||
| 21 | S | 87.9 | Confident | 88.3 | Confident | 68 Ų | 68 | 67 Ų | 67 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | trans | -66.3 | 148 | 172 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | N23 A24 | S21-N23 PolarHBondContact O-N 2.84Å; S21-N23 PolarHBondContact OG-N 2.69Å; S21-A24 WeakPolarHBondContact O-CB 3.47Å; S21-A24 PolarHBondContact O-N 3.32Å | ||
| 22 | P | 84.9 | Confident | 89 | Confident | 38 Ų | 38 | 65.3 Ų | 65.3 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -21 | 169.8 | 17 | -28.7 | 0 | 0 | 0 | 113.9 | P9 Y15 A24 | P9-P22 HydrophobicContact CG-CB 3.4Å; P9-P22 VanDerWaalsContact CG-CB 3.4Å; P9-P22 HydrophobicContact CG-CG 4.36Å; Y15-P22 HydrophobicContact CD2-CB 4.16Å; Y15-P22 HydrophobicContact CE2-CB 4.31Å; Y15-P22 HydrophobicContact CG-CB 4.35Å; P22-A24 VanDerWaalsContact C-N 3.34Å |
| 23 | N | 84 | Confident | 89.3 | Confident | 117 Ų | 117 | 65.4 Ų | 65.4 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 8.4 | 174 | -70 | -37.6 | 0 | 0 | 0 | 114.2 | S21 | S21-N23 PolarHBondContact O-N 2.84Å; S21-N23 PolarHBondContact OG-N 2.69Å |
| 24 | A | 86.3 | Confident | 89.4 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | trans | -63.1 | 142.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113 | V20 S21 P22 E28 I29 R68 | V20-A24 HydrophobicContact CB-CB 3.86Å; V20-A24 HydrophobicContact CG1-CB 4.44Å; V20-A24 HydrophobicContact CG2-CB 4.43Å; S21-A24 WeakPolarHBondContact O-CB 3.47Å; S21-A24 PolarHBondContact O-N 3.32Å; P22-A24 VanDerWaalsContact C-N 3.34Å; A24-E28 WeakPolarHBondContact CA-OE2 3.48Å; A24-E28 HydrophobicContact CB-CB 4.15Å; A24-I29 HydrophobicContact CB-CG1 4.14Å; A24-R68 PolarHBondContact O-NH1 3.41Å; A24-R68 PolarHBondContact O-NH2 2.98Å | ||
| 25 | S | 89.1 | Confident | 89.6 | Confident | 47 Ų | 47 | 73.8 Ų | 73.8 | 33% | 0.329 | 37% | 0.368 | S | S | . | . | trans | -73 | 157.7 | 172.8 | 66 | 0 | 0 | 0 | 0 | 111.5 | M27 E28 I29 | S25-M27 PolarHBondContact O-N 3.06Å; S25-M27 VanDerWaalsContact O-N 3.13Å; S25-E28 PolarHBondContact N-OE2 2.97Å; S25-E28 WeakPolarHBondContact O-CB 3.47Å; S25-E28 PolarHBondContact O-N 3.22Å; S25-E28 WeakPolarHBondContact OG-CG 3.36Å; S25-E28 PolarHBondContact OG-N 3.32Å; S25-E28 PolarHBondContact OG-OE2 3.16Å; S25-I29 PolarHBondContact O-N 2.76Å; S25-I29 VanDerWaalsContact O-N 3.1Å | ||
| 26 | D | 89.5 | Confident | 89.6 | Confident | 107 Ų | 107 | 74.4 Ų | 74.4 | 57% | 0.572 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.9 | -29.2 | 178.2 | -56.5 | -20 | 0 | 0 | 0 | 112 | K30 R68 | D26-K30 WeakPolarHBondContact O-CB 3.46Å; D26-K30 PolarHBondContact O-N 2.66Å; D26-R68 IonicContact OD1-NH1 2.72Å; D26-R68 PolarHBondContact OD1-NH1 3.41Å |
| 27 | M | 87.8 | Confident | 89.5 | Confident | 141 Ų | 141 | 71 Ų | 71 | 70% | 0.695 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.5 | -37.5 | 174 | -69.7 | -170.9 | -72.8 | 0 | 0 | 112.8 | S25 K31 | S25-M27 PolarHBondContact O-N 3.06Å; S25-M27 VanDerWaalsContact O-N 3.13Å; M27-K31 WeakPolarHBondContact O-CB 3.22Å; M27-K31 VanDerWaalsContact O-CG 3.29Å; M27-K31 WeakPolarHBondContact O-CG 3.36Å; M27-K31 PolarHBondContact O-N 3.4Å |
| 28 | E | 90.6 | Very high | 89.3 | Confident | 100 Ų | 100 | 74.4 Ų | 74.4 | 47% | 0.467 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.4 | -43.2 | 177.6 | -74.4 | 163.6 | 174.3 | 0 | 0 | 111.2 | A24 S25 K30 K31 S32 | A24-E28 WeakPolarHBondContact CA-OE2 3.48Å; A24-E28 HydrophobicContact CB-CB 4.15Å; S25-E28 PolarHBondContact N-OE2 2.97Å; S25-E28 WeakPolarHBondContact O-CB 3.47Å; S25-E28 PolarHBondContact O-N 3.22Å; S25-E28 WeakPolarHBondContact OG-CG 3.36Å; S25-E28 PolarHBondContact OG-N 3.32Å; S25-E28 PolarHBondContact OG-OE2 3.16Å; E28-K30 VanDerWaalsContact C-N 3.3Å; E28-K30 PolarHBondContact O-N 3.4Å; E28-K31 PolarHBondContact O-N 2.8Å; E28-S32 PolarHBondContact O-N 3.47Å; E28-S32 PolarHBondContact O-OG 3.05Å |
| 29 | I | 91.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 174.3 | -65.6 | 165.1 | 0 | 0 | 0 | 110.4 | L18 V20 A24 S25 S32 Y33 Y59 L62 | L18-I29 HydrophobicContact CD1-CG2 3.91Å; V20-I29 HydrophobicContact CG2-CG1 4.44Å; A24-I29 HydrophobicContact CB-CG1 4.14Å; S25-I29 PolarHBondContact O-N 2.76Å; S25-I29 VanDerWaalsContact O-N 3.1Å; I29-S32 PolarHBondContact O-OG 3.14Å; I29-S32 VanDerWaalsContact O-OG 3.07Å; I29-Y33 WeakPolarHBondContact O-CB 3.42Å; I29-Y33 PolarHBondContact O-N 3.27Å; I29-Y59 HydrophobicContact CG2-CD2 4.08Å; I29-Y59 HydrophobicContact CG2-CE2 4.42Å; I29-L62 HydrophobicContact CD1-CB 4.32Å; I29-L62 HydrophobicContact CG2-CB 4.08Å |
| 30 | K | 90.6 | Very high | 89 | Confident | 131 Ų | 131 | 73.3 Ų | 73.3 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.3 | -37.5 | 177.4 | -169.5 | 175.5 | -177.5 | 178.7 | 0 | 112.9 | D26 E28 H34 Y59 | D26-K30 WeakPolarHBondContact O-CB 3.46Å; D26-K30 PolarHBondContact O-N 2.66Å; E28-K30 VanDerWaalsContact C-N 3.3Å; E28-K30 PolarHBondContact O-N 3.4Å; K30-H34 WeakPolarHBondContact O-CB 3.47Å; K30-H34 PolarHBondContact O-N 2.9Å; K30-Y59 HydrophobicContact CB-CE2 4.44Å |
| 31 | K | 91.9 | Very high | 88.6 | Confident | 159 Ų | 159 | 76.3 Ų | 76.3 | 69% | 0.691 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.3 | -44.5 | 176.5 | -79.7 | 177.6 | -179.1 | -177.3 | 0 | 111.7 | M27 E28 H34 K35 | M27-K31 WeakPolarHBondContact O-CB 3.22Å; M27-K31 VanDerWaalsContact O-CG 3.29Å; M27-K31 WeakPolarHBondContact O-CG 3.36Å; M27-K31 PolarHBondContact O-N 3.4Å; E28-K31 PolarHBondContact O-N 2.8Å; K31-H34 PolarHBondContact O-N 2.74Å; K31-K35 PolarHBondContact O-N 3.41Å; K31-K35 VanDerWaalsContact O-N 3.11Å |
| 32 | S | 92.9 | Very high | 88.3 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 179.3 | 68.8 | 0 | 0 | 0 | 0 | 111.6 | L18 V20 E28 I29 H34 K35 L36 | L18-S32 WeakPolarHBondContact O-CB 3.41Å; L18-S32 PolarHBondContact O-OG 2.91Å; V20-S32 WeakPolarHBondContact CG1-OG 3.36Å; E28-S32 PolarHBondContact O-N 3.47Å; E28-S32 PolarHBondContact O-OG 3.05Å; I29-S32 PolarHBondContact O-OG 3.14Å; I29-S32 VanDerWaalsContact O-OG 3.07Å; S32-H34 PolarHBondContact O-N 3.1Å; S32-K35 PolarHBondContact O-N 3.01Å; S32-L36 WeakPolarHBondContact O-CB 3.47Å; S32-L36 WeakPolarHBondContact O-CG 3.35Å; S32-L36 PolarHBondContact O-N 2.86Å |
| 33 | Y | 92.4 | Very high | 88.2 | Confident | 61 Ų | 61 | 80 Ų | 80 | 24% | 0.239 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.5 | -49.2 | 172 | 173.7 | -104.9 | 0 | 0 | 0 | 111.3 | I29 K35 L36 S37 I55 Y59 | I29-Y33 WeakPolarHBondContact O-CB 3.42Å; I29-Y33 PolarHBondContact O-N 3.27Å; Y33-K35 VanDerWaalsContact C-N 3.27Å; Y33-K35 PolarHBondContact O-N 3.26Å; Y33-L36 PolarHBondContact O-N 2.73Å; Y33-S37 WeakPolarHBondContact CD2-OG 3.4Å; Y33-S37 WeakPolarHBondContact CE2-OG 3.23Å; Y33-S37 VanDerWaalsContact CZ-OG 3.26Å; Y33-S37 VanDerWaalsContact O-CB 3.3Å; Y33-S37 WeakPolarHBondContact O-CB 3.42Å; Y33-S37 PolarHBondContact O-N 2.9Å; Y33-S37 PolarHBondContact O-OG 3.48Å; Y33-I55 HydrophobicContact CD2-CG2 3.8Å; Y33-I55 HydrophobicContact CE2-CG2 4.13Å; Y33-Y59 HydrophobicContact CD1-CD1 4.03Å; Y33-Y59 AromaticContact CD1-CD2 3.96Å; Y33-Y59 HydrophobicContact CD1-CD2 3.96Å; Y33-Y59 HydrophobicContact CD1-CE1 4.1Å; Y33-Y59 HydrophobicContact CD1-CE2 4.02Å; Y33-Y59 AromaticContact CD1-CG 3.96Å; Y33-Y59 HydrophobicContact CD1-CG 3.96Å; Y33-Y59 HydrophobicContact CD2-CD1 4.05Å; Y33-Y59 AromaticContact CD2-CD2 3.98Å; Y33-Y59 HydrophobicContact CD2-CD2 3.98Å; Y33-Y59 AromaticContact CD2-CG 3.53Å; Y33-Y59 HydrophobicContact CD2-CG 3.53Å; Y33-Y59 AromaticContact CE1-CD1 3.99Å; Y33-Y59 HydrophobicContact CE1-CD1 3.99Å; Y33-Y59 HydrophobicContact CE1-CE1 4.07Å; Y33-Y59 HydrophobicContact CE1-CG 4.33Å; Y33-Y59 AromaticContact CE2-CD1 4Å; Y33-Y59 HydrophobicContact CE2-CD1 4Å; Y33-Y59 AromaticContact CE2-CG 3.92Å; Y33-Y59 HydrophobicContact CE2-CG 3.92Å; Y33-Y59 HydrophobicContact CG-CD1 4.06Å; Y33-Y59 AromaticContact CG-CD2 3.53Å; Y33-Y59 HydrophobicContact CG-CD2 3.53Å; Y33-Y59 HydrophobicContact CG-CE2 4.04Å; Y33-Y59 AromaticContact CG-CG 3.54Å; Y33-Y59 HydrophobicContact CG-CG 3.54Å; Y33-Y59 AromaticContact CZ-CD1 3.98Å |
| 34 | H | 90.1 | Very high | 87.9 | Confident | 107 Ų | 107 | 81.6 Ų | 81.6 | 50% | 0.495 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | -179.5 | -168 | 3.3 | 0 | 0 | 0 | 112.8 | K30 K31 S32 K38 | K30-H34 WeakPolarHBondContact O-CB 3.47Å; K30-H34 PolarHBondContact O-N 2.9Å; K31-H34 PolarHBondContact O-N 2.74Å; S32-H34 PolarHBondContact O-N 3.1Å; H34-K38 WeakPolarHBondContact CE1-CE 3.4Å; H34-K38 PolarHBondContact CE1-NZ 2.83Å; H34-K38 PolarHBondContact O-N 2.91Å |
| 35 | K | 91.7 | Very high | 87.3 | Confident | 136 Ų | 136 | 84.5 Ų | 84.5 | 59% | 0.591 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.7 | -52.7 | 176.7 | -171.9 | -178.4 | 177 | -172 | 0 | 111 | K31 S32 Y33 S37 K38 E39 | K31-K35 PolarHBondContact O-N 3.41Å; K31-K35 VanDerWaalsContact O-N 3.11Å; S32-K35 PolarHBondContact O-N 3.01Å; Y33-K35 VanDerWaalsContact C-N 3.27Å; Y33-K35 PolarHBondContact O-N 3.26Å; K35-S37 PolarHBondContact O-N 3.15Å; K35-K38 PolarHBondContact O-N 3.2Å; K35-E39 VanDerWaalsContact CE-OE1 3.24Å; K35-E39 WeakPolarHBondContact CE-OE1 3.35Å; K35-E39 WeakPolarHBondContact O-CG 3.39Å; K35-E39 PolarHBondContact O-N 3.42Å |
| 36 | L | 90.6 | Very high | 86.5 | Confident | 12 Ų | 12 | 87.3 Ų | 87.3 | 6% | 0.063 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | -178 | -69.5 | 171.3 | 0 | 0 | 0 | 112.5 | L18 S32 Y33 K38 E39 F40 I55 | L18-L36 HydrophobicContact CD2-CD1 4.17Å; S32-L36 WeakPolarHBondContact O-CB 3.47Å; S32-L36 WeakPolarHBondContact O-CG 3.35Å; S32-L36 PolarHBondContact O-N 2.86Å; Y33-L36 PolarHBondContact O-N 2.73Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 3.49Å; L36-E39 PolarHBondContact O-N 2.88Å; L36-F40 HydrophobicContact CD2-CD2 4.24Å; L36-F40 HydrophobicContact CD2-CE2 3.91Å; L36-F40 WeakPolarHBondContact O-CD2 3.46Å; L36-F40 PolarHBondContact O-N 2.65Å; L36-I55 HydrophobicContact CB-CD1 3.87Å; L36-I55 HydrophobicContact CB-CG1 4.34Å; L36-I55 HydrophobicContact CB-CG2 4.05Å; L36-I55 HydrophobicContact CD1-CG1 4.41Å |
| 37 | S | 87.9 | Confident | 85.8 | Confident | 15 Ų | 15 | 90.1 Ų | 90.1 | 11% | 0.105 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.9 | -28.4 | 175.9 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | Y33 K35 H41 | Y33-S37 WeakPolarHBondContact CD2-OG 3.4Å; Y33-S37 WeakPolarHBondContact CE2-OG 3.23Å; Y33-S37 VanDerWaalsContact CZ-OG 3.26Å; Y33-S37 VanDerWaalsContact O-CB 3.3Å; Y33-S37 WeakPolarHBondContact O-CB 3.42Å; Y33-S37 PolarHBondContact O-N 2.9Å; Y33-S37 PolarHBondContact O-OG 3.48Å; K35-S37 PolarHBondContact O-N 3.15Å; S37-H41 WeakPolarHBondContact O-CB 3.33Å; S37-H41 PolarHBondContact O-N 3.48Å |
| 38 | K | 87 | Confident | 85 | Confident | 123 Ų | 123 | 86.7 Ų | 86.7 | 54% | 0.535 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -75 | -35.8 | 173.6 | -82.7 | 177.5 | 171 | 164.5 | 0 | 112.2 | H34 K35 L36 | H34-K38 WeakPolarHBondContact CE1-CE 3.4Å; H34-K38 PolarHBondContact CE1-NZ 2.83Å; H34-K38 PolarHBondContact O-N 2.91Å; K35-K38 PolarHBondContact O-N 3.2Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 3.49Å |
| 39 | E | 86.2 | Confident | 84.3 | Confident | 94 Ų | 94 | 83.1 Ų | 83.1 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -76.6 | -40.3 | -178.6 | -70 | 173.5 | -170.8 | 0 | 0 | 112.1 | K35 L36 | K35-E39 VanDerWaalsContact CE-OE1 3.24Å; K35-E39 WeakPolarHBondContact CE-OE1 3.35Å; K35-E39 WeakPolarHBondContact O-CG 3.39Å; K35-E39 PolarHBondContact O-N 3.42Å; L36-E39 PolarHBondContact O-N 2.88Å |
| 40 | F | 85.5 | Confident | 83.8 | Confident | 40 Ų | 40 | 90.1 Ų | 90.1 | 18% | 0.175 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -103 | 16.8 | -177 | -65.6 | -75.3 | 0 | 0 | 0 | 113.8 | L36 H48 K51 F52 I55 | L36-F40 HydrophobicContact CD2-CD2 4.24Å; L36-F40 HydrophobicContact CD2-CE2 3.91Å; L36-F40 WeakPolarHBondContact O-CD2 3.46Å; L36-F40 PolarHBondContact O-N 2.65Å; F40-H48 HydrophobicContact CD1-CB 3.8Å; F40-H48 HydrophobicContact CE1-CB 4.2Å; F40-K51 HydrophobicContact CD1-CB 4.06Å; F40-K51 HydrophobicContact CD1-CD 4.12Å; F40-K51 HydrophobicContact CE1-CB 4.36Å; F40-K51 HydrophobicContact CE1-CD 3.6Å; F40-K51 HydrophobicContact CG-CB 4.44Å; F40-K51 HydrophobicContact CZ-CD 4.15Å; F40-F52 HydrophobicContact CB-CB 4.4Å; F40-F52 HydrophobicContact CB-CD2 4.43Å; F40-F52 WeakPolarHBondContact O-CB 3.35Å; F40-F52 WeakPolarHBondContact O-CD2 3.34Å; F40-I55 HydrophobicContact CB-CD1 4.06Å; F40-I55 HydrophobicContact CD2-CD1 3.52Å; F40-I55 HydrophobicContact CE2-CD1 4.26Å; F40-I55 HydrophobicContact CG-CD1 3.96Å |
| 41 | H | 83.2 | Confident | 83.4 | Confident | 82 Ų | 82 | 88.4 Ų | 88.4 | 38% | 0.38 | 43% | 0.431 | S | S | . | . | trans | -59.3 | 132.5 | 178.6 | -163.4 | -94.4 | 0 | 0 | 0 | 110.3 | S37 D43 K44 N45 | S37-H41 WeakPolarHBondContact O-CB 3.33Å; S37-H41 PolarHBondContact O-N 3.48Å; H41-D43 WeakPolarHBondContact ND1-CB 3.28Å; H41-D43 PolarHBondContact ND1-N 3.1Å; H41-D43 PolarHBondContact O-N 3.25Å; H41-K44 PolarHBondContact O-N 3.01Å; H41-N45 PolarHBondContact O-N 3.09Å | ||
| 42 | P | 80.5 | Confident | 83.1 | Confident | 64 Ų | 64 | 83.2 Ų | 83.2 | 42% | 0.416 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25 | -176.5 | 22.4 | -34.1 | 0 | 0 | 0 | 113.5 | ||
| 43 | D | 83.7 | Confident | 82.7 | Confident | 121 Ų | 121 | 86.7 Ų | 86.7 | 65% | 0.647 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -34.7 | 174.5 | -165.2 | 47.2 | 0 | 0 | 0 | 113.3 | H41 | H41-D43 WeakPolarHBondContact ND1-CB 3.28Å; H41-D43 PolarHBondContact ND1-N 3.1Å; H41-D43 PolarHBondContact O-N 3.25Å |
| 44 | K | 77.5 | Confident | 82.5 | Confident | 150 Ų | 150 | 88.7 Ų | 88.7 | 65% | 0.652 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -30.5 | -177 | -67.7 | -173.8 | 178.5 | -174.4 | 0 | 112.8 | H41 | H41-K44 PolarHBondContact O-N 3.01Š|
| 45 | N | 72.3 | Confident | 82.5 | Confident | 63 Ų | 63 | 83.9 Ų | 83.9 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | trans | -142.6 | 74.7 | -173.2 | -130.9 | -19 | 0 | 0 | 0 | 111.6 | H41 Q47 H48 | H41-N45 PolarHBondContact O-N 3.09Å; N45-Q47 PolarHBondContact O-N 2.81Å; N45-Q47 VanDerWaalsContact O-N 3.1Å; N45-H48 PolarHBondContact O-N 3.07Å | ||
| 46 | P | 72.8 | Confident | 82.4 | Confident | 106 Ų | 106 | 79 Ų | 79 | 69% | 0.688 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -63.2 | -18.6 | -174.7 | 21.6 | -31.5 | 0 | 0 | 0 | 114.1 | H48 | P46-H48 VanDerWaalsContact C-N 3.31Å; P46-H48 PolarHBondContact O-N 3.04Å |
| 47 | Q | 74.3 | Confident | 82.3 | Confident | 167 Ų | 167 | 83.3 Ų | 83.3 | 78% | 0.78 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -76.7 | -13.6 | -179.9 | -60.5 | -178.4 | 16.4 | 0 | 0 | 113.9 | N45 | N45-Q47 PolarHBondContact O-N 2.81Å; N45-Q47 VanDerWaalsContact O-N 3.1Å |
| 48 | H | 72.2 | Confident | 82.5 | Confident | 68 Ų | 68 | 82.6 Ų | 82.6 | 32% | 0.315 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -120.1 | 28.5 | -176.6 | -67 | -42.5 | 0 | 0 | 0 | 113.2 | F40 N45 P46 E50 K51 F52 | F40-H48 HydrophobicContact CD1-CB 3.8Å; F40-H48 HydrophobicContact CE1-CB 4.2Å; N45-H48 PolarHBondContact O-N 3.07Å; P46-H48 VanDerWaalsContact C-N 3.31Å; P46-H48 PolarHBondContact O-N 3.04Å; H48-E50 PolarHBondContact O-N 3.36Å; H48-E50 VanDerWaalsContact O-N 3.13Å; H48-K51 HydrophobicContact CB-CD 4.3Å; H48-K51 PolarHBondContact O-N 2.8Å; H48-F52 PolarHBondContact O-N 2.98Å |
| 49 | G | 75.1 | Confident | 82.7 | Confident | 26 Ų | 26 | 79.5 Ų | 79.5 | 27% | 0.268 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -54.8 | -31.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F52 K53 | G49-F52 PolarHBondContact O-N 2.79Å; G49-K53 WeakPolarHBondContact O-CG 3.46Å; G49-K53 PolarHBondContact O-N 3.08Å |
| 50 | E | 80.5 | Confident | 82.9 | Confident | 148 Ų | 148 | 80.2 Ų | 80.2 | 69% | 0.692 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.9 | -42.3 | 176.3 | -65.1 | -176.1 | 162.1 | 0 | 0 | 112.7 | H48 F52 K53 E54 | H48-E50 PolarHBondContact O-N 3.36Å; H48-E50 VanDerWaalsContact O-N 3.13Å; E50-F52 VanDerWaalsContact C-N 3.27Å; E50-F52 PolarHBondContact O-N 3.44Å; E50-K53 WeakPolarHBondContact O-CB 3.47Å; E50-K53 PolarHBondContact O-N 2.97Å; E50-E54 PolarHBondContact O-N 3.38Å; E50-E54 VanDerWaalsContact O-N 3.15Å |
| 51 | K | 82.4 | Confident | 83.2 | Confident | 96 Ų | 96 | 78.7 Ų | 78.7 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 176.6 | -66.2 | -175.5 | 176.7 | 179.3 | 0 | 111.7 | F40 H48 K53 E54 I55 | F40-K51 HydrophobicContact CD1-CB 4.06Å; F40-K51 HydrophobicContact CD1-CD 4.12Å; F40-K51 HydrophobicContact CE1-CB 4.36Å; F40-K51 HydrophobicContact CE1-CD 3.6Å; F40-K51 HydrophobicContact CG-CB 4.44Å; F40-K51 HydrophobicContact CZ-CD 4.15Å; H48-K51 HydrophobicContact CB-CD 4.3Å; H48-K51 PolarHBondContact O-N 2.8Å; K51-K53 VanDerWaalsContact C-N 3.27Å; K51-K53 PolarHBondContact O-N 2.82Å; K51-E54 PolarHBondContact O-N 3.25Å; K51-I55 WeakPolarHBondContact O-CD1 3.44Å; K51-I55 VanDerWaalsContact O-CG1 3.23Å; K51-I55 WeakPolarHBondContact O-CG1 3.29Å; K51-I55 PolarHBondContact O-N 2.77Å |
| 52 | F | 86.7 | Confident | 83.5 | Confident | 49 Ų | 49 | 74.8 Ų | 74.8 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 175.5 | -173.7 | -96.4 | 0 | 0 | 0 | 112.4 | F40 H48 G49 E50 S56 | F40-F52 HydrophobicContact CB-CB 4.4Å; F40-F52 HydrophobicContact CB-CD2 4.43Å; F40-F52 WeakPolarHBondContact O-CB 3.35Å; F40-F52 WeakPolarHBondContact O-CD2 3.34Å; H48-F52 PolarHBondContact O-N 2.98Å; G49-F52 PolarHBondContact O-N 2.79Å; E50-F52 VanDerWaalsContact C-N 3.27Å; E50-F52 PolarHBondContact O-N 3.44Å; F52-S56 WeakPolarHBondContact O-CB 3.18Å; F52-S56 PolarHBondContact O-N 3Å; F52-S56 PolarHBondContact O-OG 3.24Å |
| 53 | K | 84.6 | Confident | 83.8 | Confident | 92 Ų | 92 | 74 Ų | 74 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | 175.3 | -60.3 | 173 | -164.4 | -175.3 | 0 | 110.8 | G49 E50 K51 S56 F57 F98 | G49-K53 WeakPolarHBondContact O-CG 3.46Å; G49-K53 PolarHBondContact O-N 3.08Å; E50-K53 WeakPolarHBondContact O-CB 3.47Å; E50-K53 PolarHBondContact O-N 2.97Å; K51-K53 VanDerWaalsContact C-N 3.27Å; K51-K53 PolarHBondContact O-N 2.82Å; K53-S56 PolarHBondContact O-N 3.07Å; K53-F57 WeakPolarHBondContact O-CB 3.27Å; K53-F57 PolarHBondContact O-N 2.91Å; K53-F98 HydrophobicContact CD-CD1 4.01Å; K53-F98 HydrophobicContact CD-CE1 3.48Å; K53-F98 VanDerWaalsContact CD-CE1 3.48Å; K53-F98 HydrophobicContact CD-CZ 3.95Å; K53-F98 HydrophobicContact CG-CE1 3.98Å; K53-F98 HydrophobicContact CG-CZ 4.17Å |
| 54 | E | 88.1 | Confident | 84.1 | Confident | 103 Ų | 103 | 71.4 Ų | 71.4 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 177.3 | -67.1 | 175.1 | -179.5 | 0 | 0 | 112 | I17 E50 K51 S56 F57 A58 | I17-E54 HydrophobicContact CD1-CB 4.42Å; I17-E54 HydrophobicContact CG2-CB 4.22Å; E50-E54 PolarHBondContact O-N 3.38Å; E50-E54 VanDerWaalsContact O-N 3.15Å; K51-E54 PolarHBondContact O-N 3.25Å; E54-S56 VanDerWaalsContact C-N 3.32Å; E54-S56 PolarHBondContact O-N 3.44Å; E54-F57 PolarHBondContact O-N 2.9Å; E54-A58 WeakPolarHBondContact O-CB 3.22Å; E54-A58 PolarHBondContact O-N 3.21Å |
| 55 | I | 90.2 | Very high | 84.6 | Confident | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 177.1 | -69.4 | 158.3 | 0 | 0 | 0 | 111.2 | I17 L18 Y33 L36 F40 K51 Y59 | I17-I55 HydrophobicContact CG2-CG1 4.16Å; L18-I55 HydrophobicContact CD2-CG2 3.99Å; Y33-I55 HydrophobicContact CD2-CG2 3.8Å; Y33-I55 HydrophobicContact CE2-CG2 4.13Å; L36-I55 HydrophobicContact CB-CD1 3.87Å; L36-I55 HydrophobicContact CB-CG1 4.34Å; L36-I55 HydrophobicContact CB-CG2 4.05Å; L36-I55 HydrophobicContact CD1-CG1 4.41Å; F40-I55 HydrophobicContact CB-CD1 4.06Å; F40-I55 HydrophobicContact CD2-CD1 3.52Å; F40-I55 HydrophobicContact CE2-CD1 4.26Å; F40-I55 HydrophobicContact CG-CD1 3.96Å; K51-I55 WeakPolarHBondContact O-CD1 3.44Å; K51-I55 VanDerWaalsContact O-CG1 3.23Å; K51-I55 WeakPolarHBondContact O-CG1 3.29Å; K51-I55 PolarHBondContact O-N 2.77Å; I55-Y59 PolarHBondContact O-N 3.31Å |
| 56 | S | 88.5 | Confident | 85.2 | Confident | 35 Ų | 35 | 73.7 Ų | 73.7 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 180 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | F52 K53 E54 Y59 E60 | F52-S56 WeakPolarHBondContact O-CB 3.18Å; F52-S56 PolarHBondContact O-N 3Å; F52-S56 PolarHBondContact O-OG 3.24Å; K53-S56 PolarHBondContact O-N 3.07Å; E54-S56 VanDerWaalsContact C-N 3.32Å; E54-S56 PolarHBondContact O-N 3.44Å; S56-Y59 PolarHBondContact O-N 3.45Å; S56-E60 PolarHBondContact O-N 2.88Å |
| 57 | F | 89.7 | Confident | 85.9 | Confident | 102 Ų | 102 | 71.9 Ų | 71.9 | 45% | 0.447 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 175.7 | -178.5 | -104 | 0 | 0 | 0 | 111.9 | L14 K53 E54 Y59 E60 V61 | L14-F57 HydrophobicContact CD2-CD1 4.03Å; L14-F57 HydrophobicContact CD2-CE1 4.09Å; K53-F57 WeakPolarHBondContact O-CB 3.27Å; K53-F57 PolarHBondContact O-N 2.91Å; E54-F57 PolarHBondContact O-N 2.9Å; F57-Y59 VanDerWaalsContact C-N 3.33Å; F57-Y59 PolarHBondContact O-N 2.96Å; F57-E60 PolarHBondContact O-N 2.93Å; F57-V61 HydrophobicContact CE1-CG2 4.32Å; F57-V61 HydrophobicContact CE2-CG2 4.37Å; F57-V61 HydrophobicContact CZ-CG2 4.14Å; F57-V61 WeakPolarHBondContact O-CG2 3.37Å; F57-V61 PolarHBondContact O-N 3.11Å; F57-V61 VanDerWaalsContact O-N 3.17Å |
| 58 | A | 91.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L14 I17 L18 E54 L62 | L14-A58 HydrophobicContact CB-CB 4.25Å; L14-A58 HydrophobicContact CD2-CB 4.1Å; I17-A58 HydrophobicContact CB-CB 4.27Å; I17-A58 HydrophobicContact CG2-CB 4.01Å; L18-A58 HydrophobicContact CD1-CB 4.17Å; L18-A58 HydrophobicContact CD2-CB 4.34Å; L18-A58 HydrophobicContact CG-CB 3.85Å; E54-A58 WeakPolarHBondContact O-CB 3.22Å; E54-A58 PolarHBondContact O-N 3.21Å; A58-L62 VanDerWaalsContact O-CB 3.3Å; A58-L62 WeakPolarHBondContact O-CB 3.37Å; A58-L62 VanDerWaalsContact O-CG 3.3Å; A58-L62 WeakPolarHBondContact O-CG 3.36Å; A58-L62 PolarHBondContact O-N 3.13Å |
| 59 | Y | 91.5 | Very high | 87.2 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 177 | -179.7 | -104 | 0 | 0 | 0 | 112.8 | I29 K30 Y33 I55 S56 F57 V61 L62 S63 | I29-Y59 HydrophobicContact CG2-CD2 4.08Å; I29-Y59 HydrophobicContact CG2-CE2 4.42Å; K30-Y59 HydrophobicContact CB-CE2 4.44Å; Y33-Y59 HydrophobicContact CD1-CD1 4.03Å; Y33-Y59 AromaticContact CD1-CD2 3.96Å; Y33-Y59 HydrophobicContact CD1-CD2 3.96Å; Y33-Y59 HydrophobicContact CD1-CE1 4.1Å; Y33-Y59 HydrophobicContact CD1-CE2 4.02Å; Y33-Y59 AromaticContact CD1-CG 3.96Å; Y33-Y59 HydrophobicContact CD1-CG 3.96Å; Y33-Y59 HydrophobicContact CD2-CD1 4.05Å; Y33-Y59 AromaticContact CD2-CD2 3.98Å; Y33-Y59 HydrophobicContact CD2-CD2 3.98Å; Y33-Y59 AromaticContact CD2-CG 3.53Å; Y33-Y59 HydrophobicContact CD2-CG 3.53Å; Y33-Y59 AromaticContact CE1-CD1 3.99Å; Y33-Y59 HydrophobicContact CE1-CD1 3.99Å; Y33-Y59 HydrophobicContact CE1-CE1 4.07Å; Y33-Y59 HydrophobicContact CE1-CG 4.33Å; Y33-Y59 AromaticContact CE2-CD1 4Å; Y33-Y59 HydrophobicContact CE2-CD1 4Å; Y33-Y59 AromaticContact CE2-CG 3.92Å; Y33-Y59 HydrophobicContact CE2-CG 3.92Å; Y33-Y59 HydrophobicContact CG-CD1 4.06Å; Y33-Y59 AromaticContact CG-CD2 3.53Å; Y33-Y59 HydrophobicContact CG-CD2 3.53Å; Y33-Y59 HydrophobicContact CG-CE2 4.04Å; Y33-Y59 AromaticContact CG-CG 3.54Å; Y33-Y59 HydrophobicContact CG-CG 3.54Å; Y33-Y59 AromaticContact CZ-CD1 3.98Å; I55-Y59 PolarHBondContact O-N 3.31Å; S56-Y59 PolarHBondContact O-N 3.45Å; F57-Y59 VanDerWaalsContact C-N 3.33Å; F57-Y59 PolarHBondContact O-N 2.96Å; Y59-V61 VanDerWaalsContact C-N 3.33Å; Y59-V61 PolarHBondContact O-N 3.47Å; Y59-L62 PolarHBondContact O-N 3.45Å; Y59-S63 WeakPolarHBondContact O-CB 3.44Å; Y59-S63 PolarHBondContact O-N 3.43Å; Y59-S63 PolarHBondContact O-OG 2.81Å |
| 60 | E | 91.2 | Very high | 87.6 | Confident | 109 Ų | 109 | 66 Ų | 66 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.7 | -168.1 | -173.4 | 157.8 | 0 | 0 | 111.9 | S56 F57 S63 K67 | S56-E60 PolarHBondContact O-N 2.88Å; F57-E60 PolarHBondContact O-N 2.93Å; E60-S63 PolarHBondContact O-OG 3.02Å; E60-K67 IonicContact OE1-NZ 3.3Å; E60-K67 PolarHBondContact OE1-NZ 3.13Å |
| 61 | V | 90.5 | Very high | 87.9 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.1 | -42.7 | 178.5 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | L14 F57 Y59 K67 R68 Y71 L79 | L14-V61 HydrophobicContact CD1-CB 3.79Å; L14-V61 HydrophobicContact CD1-CG1 3.59Å; L14-V61 HydrophobicContact CD1-CG2 4.18Å; F57-V61 HydrophobicContact CE1-CG2 4.32Å; F57-V61 HydrophobicContact CE2-CG2 4.37Å; F57-V61 HydrophobicContact CZ-CG2 4.14Å; F57-V61 WeakPolarHBondContact O-CG2 3.37Å; F57-V61 PolarHBondContact O-N 3.11Å; F57-V61 VanDerWaalsContact O-N 3.17Å; Y59-V61 VanDerWaalsContact C-N 3.33Å; Y59-V61 PolarHBondContact O-N 3.47Å; V61-K67 HydrophobicContact CG1-CB 4.36Å; V61-K67 WeakPolarHBondContact O-CB 3.21Å; V61-R68 PolarHBondContact O-N 2.89Å; V61-Y71 HydrophobicContact CG1-CG 4.26Å; V61-L79 HydrophobicContact CG1-CD1 3.82Å; V61-L79 HydrophobicContact CG1-CD2 4.01Å; V61-L79 HydrophobicContact CG2-CD1 4.06Å; V61-L79 HydrophobicContact CG2-CD2 4.48Å |
| 62 | L | 89.9 | Confident | 88.2 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -83.1 | -16.6 | -173.6 | -67.6 | 175.4 | 0 | 0 | 0 | 114.1 | L14 Y15 L18 I29 A58 Y59 R68 Y71 | L14-L62 HydrophobicContact CB-CD1 4Å; L14-L62 HydrophobicContact CB-CG 4.33Å; Y15-L62 HydrophobicContact CD1-CD1 3.99Å; Y15-L62 HydrophobicContact CD1-CD2 4.28Å; Y15-L62 HydrophobicContact CE1-CD1 4.13Å; Y15-L62 HydrophobicContact CE1-CD2 3.66Å; Y15-L62 HydrophobicContact CE2-CD2 4.07Å; Y15-L62 HydrophobicContact CG-CD1 4.45Å; L18-L62 HydrophobicContact CD1-CD1 3.76Å; I29-L62 HydrophobicContact CD1-CB 4.32Å; I29-L62 HydrophobicContact CG2-CB 4.08Å; A58-L62 VanDerWaalsContact O-CB 3.3Å; A58-L62 WeakPolarHBondContact O-CB 3.37Å; A58-L62 VanDerWaalsContact O-CG 3.3Å; A58-L62 WeakPolarHBondContact O-CG 3.36Å; A58-L62 PolarHBondContact O-N 3.13Å; Y59-L62 PolarHBondContact O-N 3.45Å; L62-R68 HydrophobicContact CD2-CG 4.09Å; L62-Y71 HydrophobicContact CD2-CD1 4.18Å |
| 63 | S | 87.8 | Confident | 88 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -80.5 | -30.5 | 178.2 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | Y59 E60 | Y59-S63 WeakPolarHBondContact O-CB 3.44Å; Y59-S63 PolarHBondContact O-N 3.43Å; Y59-S63 PolarHBondContact O-OG 2.81Å; E60-S63 PolarHBondContact O-OG 3.02Å |
| 64 | D | 88 | Confident | 87.7 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -87 | 120.3 | 176.3 | -72.7 | -33.8 | 0 | 0 | 0 | 109.9 | E66 K67 R68 | D64-E66 PolarHBondContact O-N 3.39Å; D64-K67 HydrophobicContact CB-CB 4Å; D64-K67 HydrophobicContact CB-CD 3.96Å; D64-K67 HydrophobicContact CB-CG 3.95Å; D64-K67 PolarHBondContact O-N 3.32Å; D64-K67 WeakPolarHBondContact OD2-CD 3.38Å; D64-K67 VanDerWaalsContact OD2-CE 3.26Å; D64-K67 WeakPolarHBondContact OD2-CE 3.27Å; D64-K67 IonicContact OD2-NZ 3.41Å; D64-K67 PolarHBondContact OD2-NZ 2.8Å; D64-R68 WeakPolarHBondContact O-CB 3.29Å; D64-R68 PolarHBondContact O-N 2.79Å |
| 65 | P | 88.3 | Confident | 87.3 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 65% | 0.649 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62 | -31 | -175.5 | 23.8 | -33.5 | 0 | 0 | 0 | 112.8 | S69 | P65-S69 WeakPolarHBondContact O-CB 3.26Å; P65-S69 PolarHBondContact O-N 3.2Å |
| 66 | E | 86 | Confident | 86.6 | Confident | 161 Ų | 161 | 63.5 Ų | 63.5 | 75% | 0.752 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.1 | -50 | 176.3 | -65.2 | -176.1 | 176.7 | 0 | 0 | 111.6 | D64 S69 L70 | D64-E66 PolarHBondContact O-N 3.39Å; E66-S69 PolarHBondContact O-N 3.18Å; E66-S69 PolarHBondContact O-OG 3.43Å; E66-L70 PolarHBondContact O-N 2.96Å |
| 67 | K | 86.7 | Confident | 85.6 | Confident | 69 Ų | 69 | 68.7 Ų | 68.7 | 30% | 0.3 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 178.3 | -66.3 | -178 | -175 | 156.5 | 0 | 111.7 | E60 V61 D64 S69 L70 Y71 | E60-K67 IonicContact OE1-NZ 3.3Å; E60-K67 PolarHBondContact OE1-NZ 3.13Å; V61-K67 HydrophobicContact CG1-CB 4.36Å; V61-K67 WeakPolarHBondContact O-CB 3.21Å; D64-K67 HydrophobicContact CB-CB 4Å; D64-K67 HydrophobicContact CB-CD 3.96Å; D64-K67 HydrophobicContact CB-CG 3.95Å; D64-K67 PolarHBondContact O-N 3.32Å; D64-K67 WeakPolarHBondContact OD2-CD 3.38Å; D64-K67 VanDerWaalsContact OD2-CE 3.26Å; D64-K67 WeakPolarHBondContact OD2-CE 3.27Å; D64-K67 IonicContact OD2-NZ 3.41Å; D64-K67 PolarHBondContact OD2-NZ 2.8Å; K67-S69 VanDerWaalsContact C-N 3.35Å; K67-S69 PolarHBondContact O-N 2.95Å; K67-L70 WeakPolarHBondContact O-CB 3.46Å; K67-L70 PolarHBondContact O-N 2.78Å; K67-Y71 WeakPolarHBondContact O-CB 3.47Å; K67-Y71 PolarHBondContact O-N 2.73Å |
| 68 | R | 88.4 | Confident | 84.4 | Confident | 35 Ų | 35 | 63.9 Ų | 63.9 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58 | -46.9 | 173.6 | -176.3 | 176.3 | 179.4 | 177.7 | 3.7 | 111.2 | Y15 A24 D26 V61 L62 D64 L70 Y71 D72 | Y15-R68 PolarHBondContact OH-NE 3.28Å; Y15-R68 VanDerWaalsContact OH-NE 3.13Å; A24-R68 PolarHBondContact O-NH1 3.41Å; A24-R68 PolarHBondContact O-NH2 2.98Å; D26-R68 IonicContact OD1-NH1 2.72Å; D26-R68 PolarHBondContact OD1-NH1 3.41Å; V61-R68 PolarHBondContact O-N 2.89Å; L62-R68 HydrophobicContact CD2-CG 4.09Å; D64-R68 WeakPolarHBondContact O-CB 3.29Å; D64-R68 PolarHBondContact O-N 2.79Å; R68-L70 VanDerWaalsContact C-N 3.29Å; R68-L70 PolarHBondContact O-N 2.89Å; R68-Y71 PolarHBondContact O-N 2.66Å; R68-D72 WeakPolarHBondContact O-CB 3.4Å; R68-D72 PolarHBondContact O-N 3.17Å |
| 69 | S | 85 | Confident | 83.2 | Confident | 51 Ų | 51 | 66 Ų | 66 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.7 | -32.4 | 178.2 | 79.9 | 0 | 0 | 0 | 0 | 113.4 | P65 E66 K67 R73 | P65-S69 WeakPolarHBondContact O-CB 3.26Å; P65-S69 PolarHBondContact O-N 3.2Å; E66-S69 PolarHBondContact O-N 3.18Å; E66-S69 PolarHBondContact O-OG 3.43Å; K67-S69 VanDerWaalsContact C-N 3.35Å; K67-S69 PolarHBondContact O-N 2.95Å; S69-R73 WeakPolarHBondContact O-CB 3.42Å; S69-R73 VanDerWaalsContact O-CG 3.23Å; S69-R73 WeakPolarHBondContact O-CG 3.31Å; S69-R73 PolarHBondContact O-N 3.17Å |
| 70 | L | 85.1 | Confident | 81.8 | Confident | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.8 | -45.1 | 176 | -175.5 | 67 | 0 | 0 | 0 | 110.9 | E66 K67 R68 R73 R74 L79 | E66-L70 PolarHBondContact O-N 2.96Å; K67-L70 WeakPolarHBondContact O-CB 3.46Å; K67-L70 PolarHBondContact O-N 2.78Å; R68-L70 VanDerWaalsContact C-N 3.29Å; R68-L70 PolarHBondContact O-N 2.89Å; L70-R73 PolarHBondContact O-N 3.21Å; L70-R74 PolarHBondContact O-N 3.2Å; L70-L79 HydrophobicContact CD2-CD2 4.33Å |
| 71 | Y | 86.5 | Confident | 80 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -48 | 175.6 | 176 | -108.3 | 0 | 0 | 0 | 111.8 | D11 T13 L14 Y15 V61 L62 K67 R68 R73 R74 G75 V76 L79 | D11-Y71 HydrophobicContact CB-CE2 4.15Å; D11-Y71 PolarHBondContact O-OH 3.46Å; T13-Y71 PolarHBondContact N-OH 2.89Å; T13-Y71 VanDerWaalsContact N-OH 3.12Å; T13-Y71 PolarHBondContact OG1-OH 2.72Å; L14-Y71 HydrophobicContact CB-CE1 3.89Å; L14-Y71 HydrophobicContact CB-CE2 4.4Å; L14-Y71 HydrophobicContact CD1-CD1 4.07Å; L14-Y71 HydrophobicContact CD1-CD2 3.63Å; L14-Y71 HydrophobicContact CD1-CE1 3.93Å; L14-Y71 HydrophobicContact CD1-CE2 3.5Å; L14-Y71 VanDerWaalsContact CD1-CE2 3.5Å; L14-Y71 HydrophobicContact CD1-CG 3.91Å; L14-Y71 HydrophobicContact CG-CD2 4.31Å; L14-Y71 HydrophobicContact CG-CE1 4.04Å; L14-Y71 HydrophobicContact CG-CE2 3.65Å; L14-Y71 VanDerWaalsContact CG-CZ 3.48Å; L14-Y71 PolarHBondContact N-OH 3.41Å; Y15-Y71 AromaticContact CD2-CE1 3.91Å; Y15-Y71 HydrophobicContact CD2-CE1 3.91Å; Y15-Y71 HydrophobicContact CE2-CD1 4.08Å; Y15-Y71 AromaticContact CE2-CE1 3.69Å; Y15-Y71 HydrophobicContact CE2-CE1 3.69Å; V61-Y71 HydrophobicContact CG1-CG 4.26Å; L62-Y71 HydrophobicContact CD2-CD1 4.18Å; K67-Y71 WeakPolarHBondContact O-CB 3.47Å; K67-Y71 PolarHBondContact O-N 2.73Å; R68-Y71 PolarHBondContact O-N 2.66Å; Y71-R73 PolarHBondContact O-N 3.4Å; Y71-R73 VanDerWaalsContact O-N 3.15Å; Y71-R74 PolarHBondContact O-N 2.77Å; Y71-G75 VanDerWaalsContact O-CA 3.32Å; Y71-G75 WeakPolarHBondContact O-CA 3.41Å; Y71-G75 PolarHBondContact O-N 2.83Å; Y71-V76 HydrophobicContact CE2-CG2 3.74Å; Y71-L79 HydrophobicContact CD2-CD1 3.77Å; Y71-L79 HydrophobicContact CG-CD1 4.43Å |
| 72 | D | 87.2 | Confident | 77.9 | Confident | 47 Ų | 47 | 74.3 Ų | 74.3 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.3 | -29.4 | 179.4 | -67.8 | -22.6 | 0 | 0 | 0 | 112.3 | P9 V10 Y15 R68 | P9-D72 HydrophobicContact CB-CB 4.23Å; V10-D72 PolarHBondContact N-O 3.27Å; Y15-D72 WeakPolarHBondContact CE2-OD1 3.4Å; Y15-D72 PolarHBondContact OH-OD1 3.45Å; Y15-D72 PolarHBondContact OH-OD2 2.93Å; R68-D72 WeakPolarHBondContact O-CB 3.4Å; R68-D72 PolarHBondContact O-N 3.17Å |
| 73 | R | 83.2 | Confident | 75.7 | Confident | 197 Ų | 197 | 77.5 Ų | 77.5 | 74% | 0.743 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -87.7 | -37.1 | -178.8 | -74.3 | 177.2 | -174.9 | -171.9 | 4 | 114.9 | S69 L70 Y71 | S69-R73 WeakPolarHBondContact O-CB 3.42Å; S69-R73 VanDerWaalsContact O-CG 3.23Å; S69-R73 WeakPolarHBondContact O-CG 3.31Å; S69-R73 PolarHBondContact O-N 3.17Å; L70-R73 PolarHBondContact O-N 3.21Å; Y71-R73 PolarHBondContact O-N 3.4Å; Y71-R73 VanDerWaalsContact O-N 3.15Å |
| 74 | R | 77.5 | Confident | 73.2 | Confident | 148 Ų | 148 | 85 Ų | 85 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -126.6 | 2.8 | -167.4 | -69.5 | -174.3 | -179.9 | 176.2 | -1.3 | 113.7 | L70 Y71 G78 | L70-R74 PolarHBondContact O-N 3.2Å; Y71-R74 PolarHBondContact O-N 2.77Å; R74-G78 VanDerWaalsContact CB-CA 3.44Å; R74-G78 PolarHBondContact O-N 3.17Å; R74-G78 VanDerWaalsContact O-N 3.13Å |
| 75 | G | 80.7 | Confident | 70.5 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | 66.8 | -165.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D11 Y71 E77 G78 | D11-G75 WeakPolarHBondContact OD2-CA 3.4Å; Y71-G75 VanDerWaalsContact O-CA 3.32Å; Y71-G75 WeakPolarHBondContact O-CA 3.41Å; Y71-G75 PolarHBondContact O-N 2.83Å; G75-E77 PolarHBondContact O-N 3.05Å; G75-G78 PolarHBondContact O-N 3.18Å |
| 76 | V | 75.1 | Confident | 67.8 | Low | 49 Ų | 49 | 83.5 Ų | 83.5 | 30% | 0.297 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.5 | -31.9 | 178.7 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | D11 T13 Y71 G78 L79 | D11-V76 PolarHBondContact OD2-N 3.04Å; T13-V76 WeakPolarHBondContact OG1-CG2 3.27Å; Y71-V76 HydrophobicContact CE2-CG2 3.74Å; V76-G78 VanDerWaalsContact C-N 3.32Å; V76-G78 PolarHBondContact O-N 3.07Å; V76-L79 PolarHBondContact O-N 3.46Å |
| 77 | E | 68.6 | Low | 65 | Low | 144 Ų | 144 | 79.4 Ų | 79.4 | 67% | 0.673 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.1 | -32.5 | 178.1 | -62.4 | -172.4 | 165.5 | 0 | 0 | 112.5 | G75 L79 K80 Q81 | G75-E77 PolarHBondContact O-N 3.05Å; E77-L79 VanDerWaalsContact C-N 3.26Å; E77-L79 PolarHBondContact O-N 2.86Å; E77-K80 WeakPolarHBondContact O-CB 3.46Å; E77-K80 PolarHBondContact O-N 2.78Å; E77-Q81 PolarHBondContact O-N 2.93Å |
| 78 | G | 64.5 | Low | 62.6 | Low | 2 Ų | 2 | 82.3 Ų | 82.3 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.3 | -29.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R74 G75 V76 K80 G82 | R74-G78 VanDerWaalsContact CB-CA 3.44Å; R74-G78 PolarHBondContact O-N 3.17Å; R74-G78 VanDerWaalsContact O-N 3.13Å; G75-G78 PolarHBondContact O-N 3.18Å; V76-G78 VanDerWaalsContact C-N 3.32Å; V76-G78 PolarHBondContact O-N 3.07Å; G78-K80 VanDerWaalsContact C-N 3.3Å; G78-G82 PolarHBondContact O-N 3.03Å |
| 79 | L | 65.1 | Low | 60.1 | Low | 45 Ų | 45 | 89 Ų | 89 | 24% | 0.236 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -73 | -25.6 | 175.2 | -66.3 | 161.9 | 0 | 0 | 0 | 111.5 | L14 V61 L70 Y71 V76 E77 | L14-L79 HydrophobicContact CD1-CD1 4.39Å; V61-L79 HydrophobicContact CG1-CD1 3.82Å; V61-L79 HydrophobicContact CG1-CD2 4.01Å; V61-L79 HydrophobicContact CG2-CD1 4.06Å; V61-L79 HydrophobicContact CG2-CD2 4.48Å; L70-L79 HydrophobicContact CD2-CD2 4.33Å; Y71-L79 HydrophobicContact CD2-CD1 3.77Å; Y71-L79 HydrophobicContact CG-CD1 4.43Å; V76-L79 PolarHBondContact O-N 3.46Å; E77-L79 VanDerWaalsContact C-N 3.26Å; E77-L79 PolarHBondContact O-N 2.86Å |
| 80 | K | 62.7 | Low | 58.1 | Low | 161 Ų | 161 | 89.9 Ų | 89.9 | 70% | 0.7 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -79.2 | -34.5 | 175.7 | -62.3 | -173.1 | 177.1 | -172.7 | 0 | 112.6 | E77 G78 | E77-K80 WeakPolarHBondContact O-CB 3.46Å; E77-K80 PolarHBondContact O-N 2.78Å; G78-K80 VanDerWaalsContact C-N 3.3Å |
| 81 | Q | 53.4 | Low | 56.2 | Low | 138 Ų | 138 | 94.2 Ų | 94.2 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -93.1 | -8.7 | -175.1 | -72.7 | 177.2 | 11.1 | 0 | 0 | 114.7 | E77 N83 | E77-Q81 PolarHBondContact O-N 2.93Å; Q81-N83 PolarHBondContact O-N 2.79Å |
| 82 | G | 46.6 | Very low | 54.2 | Low | 49 Ų | 49 | 99.5 Ų | 99.5 | 51% | 0.505 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 5.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G78 | G78-G82 PolarHBondContact O-N 3.03Š|
| 83 | N | 43.6 | Very low | 52.6 | Low | 67 Ų | 67 | 99.9 Ų | 99.9 | 36% | 0.358 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 28.1 | -164.9 | -155.5 | 58.7 | 0 | 0 | 0 | 115 | Q81 G85 A86 F89 | Q81-N83 PolarHBondContact O-N 2.79Å; N83-G85 PolarHBondContact O-N 3.3Å; N83-A86 PolarHBondContact ND2-O 2.91Å; N83-F89 WeakPolarHBondContact ND2-CD2 3.28Å |
| 84 | E | 34.1 | Very low | 50.8 | Low | 203 Ų | 203 | 96.3 Ų | 96.3 | 95% | 0.949 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 18.5 | 176.3 | -69.3 | -172.8 | 138.2 | 0 | 0 | 115 | ||
| 85 | G | 32.2 | Very low | 49.5 | Very low | 81 Ų | 81 | 91.9 Ų | 91.9 | 84% | 0.835 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.8 | -1.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N83 | N83-G85 PolarHBondContact O-N 3.3Š|
| 86 | A | 30.6 | Very low | 47.9 | Very low | 56 Ų | 56 | 98.8 Ų | 98.8 | 46% | 0.463 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -144.3 | 116 | 178.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | N83 | N83-A86 PolarHBondContact ND2-O 2.91Š|
| 87 | G | 28.8 | Very low | 46.6 | Very low | 75 Ų | 75 | 99.6 Ų | 99.6 | 77% | 0.773 | 55% | 0.552 | S | S | * | * | trans | -55.1 | 158.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 88 | M | 36.7 | Very low | 45.5 | Very low | 130 Ų | 130 | 98.6 Ų | 98.6 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | trans | 92.7 | 49.7 | 155.1 | -113.9 | 167.8 | 83.4 | 0 | 0 | 119.7 | L93 | M88-L93 HydrophobicContact CE-CD1 4.41Š| ||
| 89 | F | 34.9 | Very low | 44.1 | Very low | 174 Ų | 174 | 101 Ų | 101 | 76% | 0.763 | 57% | 0.57 | S | S | * | * | trans | -125.2 | 70.9 | 155.1 | -67.2 | -78.8 | 0 | 0 | 0 | 110.6 | N83 | N83-F89 WeakPolarHBondContact ND2-CD2 3.28Š| ||
| 90 | S | 41.9 | Very low | 42.8 | Very low | 70 Ų | 70 | 102.6 Ų | 102.6 | 49% | 0.49 | 60% | 0.598 | S | S | . | * | trans | -88.2 | 148.7 | 165 | 57.3 | 0 | 0 | 0 | 0 | 109.9 | D92 L93 | S90-D92 PolarHBondContact O-N 3Å; S90-L93 WeakPolarHBondContact O-CB 3.35Å; S90-L93 PolarHBondContact O-N 3.06Å | ||
| 91 | E | 45.4 | Very low | 41.5 | Very low | 143 Ų | 143 | 100.2 Ų | 100.2 | 67% | 0.668 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -47.6 | -24.4 | 170.2 | -157 | 81.8 | -177.3 | 0 | 0 | 112.6 | M94 S95 | E91-M94 PolarHBondContact O-N 3.21Å; E91-S95 PolarHBondContact O-N 2.86Å |
| 92 | D | 46.3 | Very low | 40.8 | Very low | 110 Ų | 110 | 97.6 Ų | 97.6 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.6 | -25.4 | 174.5 | -91 | -21.3 | 0 | 0 | 0 | 114.6 | S90 S95 H96 | S90-D92 PolarHBondContact O-N 3Å; D92-S95 PolarHBondContact O-OG 2.91Å; D92-H96 VanDerWaalsContact O-CB 3.25Å; D92-H96 WeakPolarHBondContact O-CB 3.44Å; D92-H96 PolarHBondContact O-N 3.12Å; D92-H96 PolarHBondContact O-ND1 2.8Å |
| 93 | L | 51.7 | Low | 40.3 | Very low | 56 Ų | 56 | 102 Ų | 102 | 29% | 0.293 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -75.6 | -31.9 | 173.3 | -164.5 | 75.7 | 0 | 0 | 0 | 110.7 | M88 S90 H96 I97 | M88-L93 HydrophobicContact CE-CD1 4.41Å; S90-L93 WeakPolarHBondContact O-CB 3.35Å; S90-L93 PolarHBondContact O-N 3.06Å; L93-H96 PolarHBondContact O-N 2.95Å; L93-I97 HydrophobicContact CD1-CD1 4.2Å; L93-I97 HydrophobicContact CD1-CG1 4.44Å; L93-I97 HydrophobicContact CD2-CD1 4.01Å; L93-I97 HydrophobicContact CG-CD1 3.67Å; L93-I97 HydrophobicContact CG-CG1 4.18Å; L93-I97 VanDerWaalsContact O-CB 3.24Å; L93-I97 WeakPolarHBondContact O-CB 3.23Å; L93-I97 WeakPolarHBondContact O-CG1 3.15Å; L93-I97 PolarHBondContact O-N 3.14Å |
| 94 | M | 45.8 | Very low | 39.8 | Very low | 121 Ų | 121 | 103.1 Ų | 103.1 | 60% | 0.596 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.6 | -39.6 | 174.4 | -166.7 | -176.1 | 83.7 | 0 | 0 | 111 | E91 F98 | E91-M94 PolarHBondContact O-N 3.21Å; M94-F98 WeakPolarHBondContact O-CB 3.4Å; M94-F98 PolarHBondContact O-N 3.37Å |
| 95 | S | 50.5 | Low | 40.3 | Very low | 55 Ų | 55 | 96.9 Ų | 96.9 | 39% | 0.385 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -72.7 | -32.8 | 175.2 | 71.2 | 0 | 0 | 0 | 0 | 112.8 | E91 D92 G99 | E91-S95 PolarHBondContact O-N 2.86Å; D92-S95 PolarHBondContact O-OG 2.91Å; S95-G99 VanDerWaalsContact O-CA 3.26Å; S95-G99 WeakPolarHBondContact O-CA 3.37Å; S95-G99 PolarHBondContact O-N 2.78Å |
| 96 | H | 47.9 | Very low | 40.9 | Very low | 146 Ų | 146 | 97.7 Ų | 97.7 | 68% | 0.676 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -85.5 | -18.2 | 179.8 | -79.1 | 38.7 | 0 | 0 | 0 | 115.1 | D92 L93 | D92-H96 VanDerWaalsContact O-CB 3.25Å; D92-H96 WeakPolarHBondContact O-CB 3.44Å; D92-H96 PolarHBondContact O-N 3.12Å; D92-H96 PolarHBondContact O-ND1 2.8Å; L93-H96 PolarHBondContact O-N 2.95Å |
| 97 | I | 46.8 | Very low | 41.2 | Very low | 66 Ų | 66 | 102.1 Ų | 102.1 | 34% | 0.338 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -87.3 | -34.2 | 171.5 | -70.5 | 180 | 0 | 0 | 0 | 111.3 | L93 F104 | L93-I97 HydrophobicContact CD1-CD1 4.2Å; L93-I97 HydrophobicContact CD1-CG1 4.44Å; L93-I97 HydrophobicContact CD2-CD1 4.01Å; L93-I97 HydrophobicContact CG-CD1 3.67Å; L93-I97 HydrophobicContact CG-CG1 4.18Å; L93-I97 VanDerWaalsContact O-CB 3.24Å; L93-I97 WeakPolarHBondContact O-CB 3.23Å; L93-I97 WeakPolarHBondContact O-CG1 3.15Å; L93-I97 PolarHBondContact O-N 3.14Å; I97-F104 HydrophobicContact CB-CE2 4.24Å; I97-F104 HydrophobicContact CB-CZ 4.4Å; I97-F104 HydrophobicContact CD1-CE2 4.45Å; I97-F104 HydrophobicContact CG1-CE2 3.79Å; I97-F104 HydrophobicContact CG1-CZ 4.26Å; I97-F104 HydrophobicContact CG2-CE1 4.35Å; I97-F104 HydrophobicContact CG2-CE2 4.03Å; I97-F104 HydrophobicContact CG2-CZ 3.69Å |
| 98 | F | 46 | Very low | 41.5 | Very low | 122 Ų | 122 | 103.4 Ų | 103.4 | 54% | 0.535 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -108.1 | -11.7 | -174.2 | -83.1 | -82.2 | 0 | 0 | 0 | 115.6 | K53 M94 | K53-F98 HydrophobicContact CD-CD1 4.01Å; K53-F98 HydrophobicContact CD-CE1 3.48Å; K53-F98 VanDerWaalsContact CD-CE1 3.48Å; K53-F98 HydrophobicContact CD-CZ 3.95Å; K53-F98 HydrophobicContact CG-CE1 3.98Å; K53-F98 HydrophobicContact CG-CZ 4.17Å; M94-F98 WeakPolarHBondContact O-CB 3.4Å; M94-F98 PolarHBondContact O-N 3.37Å |
| 99 | G | 36.2 | Very low | 41.9 | Very low | 52 Ų | 52 | 99.7 Ų | 99.7 | 54% | 0.536 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -93.8 | 103.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S95 S101 | S95-G99 VanDerWaalsContact O-CA 3.26Å; S95-G99 WeakPolarHBondContact O-CA 3.37Å; S95-G99 PolarHBondContact O-N 2.78Å; G99-S101 PolarHBondContact O-N 3.25Å |
| 100 | G | 36.4 | Very low | 42.3 | Very low | 80 Ų | 80 | 97.6 Ų | 97.6 | 83% | 0.825 | 60% | 0.597 | S | S | * | * | trans | -52.3 | 127.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 101 | S | 35.4 | Very low | 42 | Very low | 111 Ų | 111 | 102.4 Ų | 102.4 | 78% | 0.776 | 61% | 0.609 | S | S | * | * | trans | -172.2 | 115.2 | 132.3 | -139.5 | 0 | 0 | 0 | 0 | 110.6 | G99 L103 | G99-S101 PolarHBondContact O-N 3.25Å; S101-L103 VanDerWaalsContact C-N 3.3Å; S101-L103 PolarHBondContact O-N 3.09Å | ||
| 102 | G | 39.8 | Very low | 41.6 | Very low | 83 Ų | 83 | 99.1 Ų | 99.1 | 86% | 0.856 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 65 | -9.5 | 137.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||
| 103 | L | 36.2 | Very low | 41.3 | Very low | 140 Ų | 140 | 96.2 Ų | 96.2 | 73% | 0.733 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -127.4 | -14.3 | -172 | -63.4 | 177.1 | 0 | 0 | 0 | 114.5 | S101 G105 S106 M107 | S101-L103 VanDerWaalsContact C-N 3.3Å; S101-L103 PolarHBondContact O-N 3.09Å; L103-G105 PolarHBondContact O-N 3.22Å; L103-S106 PolarHBondContact O-N 3.33Å; L103-M107 PolarHBondContact O-N 3.34Å |
| 104 | F | 32.7 | Very low | 40.7 | Very low | 91 Ų | 91 | 104.4 Ų | 104.4 | 40% | 0.399 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.6 | -25.8 | -178 | -165.7 | -108.8 | 0 | 0 | 0 | 113.5 | I97 S106 F108 | I97-F104 HydrophobicContact CB-CE2 4.24Å; I97-F104 HydrophobicContact CB-CZ 4.4Å; I97-F104 HydrophobicContact CD1-CE2 4.45Å; I97-F104 HydrophobicContact CG1-CE2 3.79Å; I97-F104 HydrophobicContact CG1-CZ 4.26Å; I97-F104 HydrophobicContact CG2-CE1 4.35Å; I97-F104 HydrophobicContact CG2-CE2 4.03Å; I97-F104 HydrophobicContact CG2-CZ 3.69Å; F104-S106 VanDerWaalsContact C-N 3.35Å; F104-S106 PolarHBondContact O-N 3.09Å; F104-F108 HydrophobicContact CD1-CB 4.24Å; F104-F108 HydrophobicContact CD1-CG 4.47Å; F104-F108 HydrophobicContact CD2-CB 4.25Å; F104-F108 HydrophobicContact CD2-CD2 4.43Å; F104-F108 HydrophobicContact CE1-CB 4.05Å; F104-F108 HydrophobicContact CE1-CD1 4.26Å; F104-F108 AromaticContact CE1-CD2 3.83Å; F104-F108 HydrophobicContact CE1-CD2 3.83Å; F104-F108 HydrophobicContact CE1-CE2 4.25Å; F104-F108 AromaticContact CE1-CG 3.8Å; F104-F108 HydrophobicContact CE1-CG 3.8Å; F104-F108 HydrophobicContact CE2-CB 4.05Å; F104-F108 AromaticContact CE2-CD2 3.44Å; F104-F108 HydrophobicContact CE2-CD2 3.44Å; F104-F108 VanDerWaalsContact CE2-CD2 3.44Å; F104-F108 HydrophobicContact CE2-CE2 4.12Å; F104-F108 HydrophobicContact CE2-CG 4.01Å; F104-F108 HydrophobicContact CG-CB 4.35Å; F104-F108 HydrophobicContact CZ-CB 3.96Å; F104-F108 HydrophobicContact CZ-CD1 4.3Å; F104-F108 AromaticContact CZ-CD2 3.08Å; F104-F108 HydrophobicContact CZ-CD2 3.08Å; F104-F108 AromaticContact CZ-CE2 3.46Å; F104-F108 HydrophobicContact CZ-CE2 3.46Å; F104-F108 VanDerWaalsContact CZ-CE2 3.46Å; F104-F108 AromaticContact CZ-CG 3.55Å; F104-F108 HydrophobicContact CZ-CG 3.55Å; F104-F108 HydrophobicContact CZ-CZ 4.23Å; F104-F108 WeakPolarHBondContact O-CB 3.48Å; F104-F108 PolarHBondContact O-N 2.9Å; F104-F108 VanDerWaalsContact O-N 3.12Å |
| 105 | G | 44.5 | Very low | 40.3 | Very low | 72 Ų | 72 | 101.5 Ų | 101.5 | 74% | 0.742 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.3 | -27.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L103 | L103-G105 PolarHBondContact O-N 3.22Å |
| 106 | S | 43.6 | Very low | 39.9 | Very low | 99 Ų | 99 | 102 Ų | 102 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -106.1 | -11 | -176 | -72 | 0 | 0 | 0 | 0 | 114.2 | L103 F104 | L103-S106 PolarHBondContact O-N 3.33Å; F104-S106 VanDerWaalsContact C-N 3.35Å; F104-S106 PolarHBondContact O-N 3.09Å |
| 107 | M | 37.9 | Very low | 39.7 | Very low | 149 Ų | 149 | 106.4 Ų | 106.4 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -108.9 | -25.5 | 176.2 | -125.6 | 177.8 | 160.1 | 0 | 0 | 113 | L103 G109 D110 F111 | L103-M107 PolarHBondContact O-N 3.34Å; M107-G109 VanDerWaalsContact C-N 3.34Å; M107-D110 PolarHBondContact O-N 2.94Å; M107-F111 WeakPolarHBondContact O-CB 3.45Å; M107-F111 PolarHBondContact O-N 2.9Å |
| 108 | F | 34.6 | Very low | 39.6 | Very low | 102 Ų | 102 | 114.7 Ų | 114.7 | 45% | 0.447 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -75.3 | -26 | 169.1 | -161.9 | -100.9 | 0 | 0 | 0 | 111.9 | F104 D110 C112 | F104-F108 HydrophobicContact CD1-CB 4.24Å; F104-F108 HydrophobicContact CD1-CG 4.47Å; F104-F108 HydrophobicContact CD2-CB 4.25Å; F104-F108 HydrophobicContact CD2-CD2 4.43Å; F104-F108 HydrophobicContact CE1-CB 4.05Å; F104-F108 HydrophobicContact CE1-CD1 4.26Å; F104-F108 AromaticContact CE1-CD2 3.83Å; F104-F108 HydrophobicContact CE1-CD2 3.83Å; F104-F108 HydrophobicContact CE1-CE2 4.25Å; F104-F108 AromaticContact CE1-CG 3.8Å; F104-F108 HydrophobicContact CE1-CG 3.8Å; F104-F108 HydrophobicContact CE2-CB 4.05Å; F104-F108 AromaticContact CE2-CD2 3.44Å; F104-F108 HydrophobicContact CE2-CD2 3.44Å; F104-F108 VanDerWaalsContact CE2-CD2 3.44Å; F104-F108 HydrophobicContact CE2-CE2 4.12Å; F104-F108 HydrophobicContact CE2-CG 4.01Å; F104-F108 HydrophobicContact CG-CB 4.35Å; F104-F108 HydrophobicContact CZ-CB 3.96Å; F104-F108 HydrophobicContact CZ-CD1 4.3Å; F104-F108 AromaticContact CZ-CD2 3.08Å; F104-F108 HydrophobicContact CZ-CD2 3.08Å; F104-F108 AromaticContact CZ-CE2 3.46Å; F104-F108 HydrophobicContact CZ-CE2 3.46Å; F104-F108 VanDerWaalsContact CZ-CE2 3.46Å; F104-F108 AromaticContact CZ-CG 3.55Å; F104-F108 HydrophobicContact CZ-CG 3.55Å; F104-F108 HydrophobicContact CZ-CZ 4.23Å; F104-F108 WeakPolarHBondContact O-CB 3.48Å; F104-F108 PolarHBondContact O-N 2.9Å; F104-F108 VanDerWaalsContact O-N 3.12Å; F108-D110 VanDerWaalsContact C-N 3.27Å; F108-D110 PolarHBondContact O-N 2.81Å; F108-C112 HydrophobicContact CD1-CB 4.18Å; F108-C112 WeakPolarHBondContact CD2-SG 3.47Å; F108-C112 HydrophobicContact CE1-CB 4.06Å; F108-C112 HydrophobicContact CE2-CB 4.44Å; F108-C112 WeakPolarHBondContact CE2-SG 3.23Å; F108-C112 HydrophobicContact CG-CB 4.42Å; F108-C112 HydrophobicContact CZ-CB 4.2Å; F108-C112 WeakPolarHBondContact CZ-SG 3.47Å; F108-C112 VanDerWaalsContact O-CB 3.24Å; F108-C112 WeakPolarHBondContact O-CB 3.49Å; F108-C112 PolarHBondContact O-N 3.04Å; F108-C112 VanDerWaalsContact O-N 3.13Å |
| 109 | G | 46 | Very low | 39.8 | Very low | 51 Ų | 51 | 118.6 Ų | 118.6 | 53% | 0.526 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -63.8 | -31.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M107 | M107-G109 VanDerWaalsContact C-N 3.34Å |
| 110 | D | 43.5 | Very low | 40.7 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -102.3 | -21.8 | -174.6 | -75.7 | -24.4 | 0 | 0 | 0 | 114.2 | M107 F108 | M107-D110 PolarHBondContact O-N 2.94Å; F108-D110 VanDerWaalsContact C-N 3.27Å; F108-D110 PolarHBondContact O-N 2.81Å |
| 111 | F | 34.7 | Very low | 42.4 | Very low | 171 Ų | 171 | 129 Ų | 129 | 75% | 0.75 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -97.7 | -26.1 | 175.6 | -165.5 | -106.6 | 0 | 0 | 0 | 113.7 | M107 G113 | M107-F111 WeakPolarHBondContact O-CB 3.45Å; M107-F111 PolarHBondContact O-N 2.9Å; F111-G113 VanDerWaalsContact C-N 3.3Å |
| 112 | C | 36.3 | Very low | 44.4 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 49% | 0.493 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | 9.5 | 171.8 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | F108 | F108-C112 HydrophobicContact CD1-CB 4.18Å; F108-C112 WeakPolarHBondContact CD2-SG 3.47Å; F108-C112 HydrophobicContact CE1-CB 4.06Å; F108-C112 HydrophobicContact CE2-CB 4.44Å; F108-C112 WeakPolarHBondContact CE2-SG 3.23Å; F108-C112 HydrophobicContact CG-CB 4.42Å; F108-C112 HydrophobicContact CZ-CB 4.2Å; F108-C112 WeakPolarHBondContact CZ-SG 3.47Å; F108-C112 VanDerWaalsContact O-CB 3.24Å; F108-C112 WeakPolarHBondContact O-CB 3.49Å; F108-C112 PolarHBondContact O-N 3.04Å; F108-C112 VanDerWaalsContact O-N 3.13Å |
| 113 | G | 40.4 | Very low | 46.3 | Very low | 49 Ų | 49 | 127.9 Ų | 127.9 | 51% | 0.505 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | -8.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F111 G115 | F111-G113 VanDerWaalsContact C-N 3.3Å; G113-G115 PolarHBondContact O-N 2.89Å |
| 114 | Y | 38.6 | Very low | 48.7 | Very low | 228 Ų | 228 | 129.6 Ų | 129.6 | 89% | 0.894 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -90.6 | 40.2 | -179 | -106.7 | -92.9 | 0 | 0 | 0 | 113.5 | ||
| 115 | G | 38.8 | Very low | 51.5 | Low | 61 Ų | 61 | 129.4 Ų | 129.4 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | trans | -147 | 43.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | G113 R117 | G113-G115 PolarHBondContact O-N 2.89Å; G115-R117 PolarHBondContact O-N 3.44Å | ||
| 116 | G | 41.1 | Very low | 53.6 | Low | 64 Ų | 64 | 128 Ų | 128 | 66% | 0.66 | 64% | 0.635 | S | S | * | * | trans | -57.9 | 87.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | R118 | G116-R118 PolarHBondContact O-N 3.23Š| ||
| 117 | R | 43.7 | Very low | 56 | Low | 239 Ų | 239 | 127.6 Ų | 127.6 | 90% | 0.902 | 63% | 0.628 | S | S | * | * | trans | -45.1 | 105.5 | 157.3 | -82.3 | -176.3 | 177.8 | -175.9 | 0.5 | 102.8 | G115 R119 | G115-R117 PolarHBondContact O-N 3.44Å; R117-R119 VanDerWaalsContact C-N 3.27Å; R117-R119 PolarHBondContact O-N 2.81Å | ||
| 118 | R | 45 | Very low | 58.6 | Low | 240 Ų | 240 | 123.4 Ų | 123.4 | 91% | 0.906 | 61% | 0.607 | S | S | * | * | trans | -42.6 | 103.4 | -178.1 | -75.7 | 179.3 | 178.8 | 162.5 | -1 | 105 | G116 R120 | G116-R118 PolarHBondContact O-N 3.23Å; R118-R120 VanDerWaalsContact C-N 3.25Å; R118-R120 PolarHBondContact O-N 3.27Å | ||
| 119 | R | 50.8 | Low | 61.4 | Low | 204 Ų | 204 | 122.3 Ų | 122.3 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | trans | -58.8 | 108.2 | 175.9 | -176.4 | 179 | -171.2 | 168.5 | 2.7 | 100.5 | R117 E121 | R117-R119 VanDerWaalsContact C-N 3.27Å; R117-R119 PolarHBondContact O-N 2.81Å; R119-E121 PolarHBondContact O-N 2.71Å | ||
| 120 | R | 55.4 | Low | 63.7 | Low | 203 Ų | 203 | 121 Ų | 121 | 77% | 0.766 | 59% | 0.591 | S | S | * | * | trans | -45.3 | 114.9 | -178.6 | -72.9 | -180 | 178.5 | 170.8 | -1.6 | 104.3 | R118 R122 | R118-R120 VanDerWaalsContact C-N 3.25Å; R118-R120 PolarHBondContact O-N 3.27Å; R120-R122 PolarHBondContact O-N 2.83Å | ||
| 121 | E | 70.4 | Confident | 66.1 | Low | 147 Ų | 147 | 123.6 Ų | 123.6 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | trans | -57.8 | 114 | -179.1 | -74 | 173.5 | 159.8 | 0 | 0 | 103.6 | R119 V262 Q263 | R119-E121 PolarHBondContact O-N 2.71Å; E121-V262 HydrophobicContact CB-CG1 4.17Å; E121-V262 HydrophobicContact CB-CG2 4.43Å; E121-V262 WeakPolarHBondContact O-CG1 3.37Å; E121-Q263 PolarHBondContact O-N 2.67Å | ||
| 122 | R | 77.5 | Confident | 68.9 | Low | 158 Ų | 158 | 115.5 Ų | 115.5 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | B | Isolated β-bridge | trans | -90.3 | 132.5 | 172.6 | -69.6 | -173.2 | -64.1 | 175.9 | 4.7 | 104.5 | R120 Q263 | R120-R122 PolarHBondContact O-N 2.83Å; R122-Q263 CarbonylContact C-O 3.46Å; R122-Q263 WeakPolarHBondContact CA-O 3.28Å; R122-Q263 HydrophobicContact CG-CB 4.32Å |
| 123 | G | 79.6 | Confident | 71.6 | Confident | 13 Ų | 13 | 113.9 Ų | 113.9 | 13% | 0.134 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 154.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | Q263 G265 | G123-Q263 PolarHBondContact N-O 2.67Å; G123-G265 WeakPolarHBondContact O-CA 3.35Å |
| 124 | E | 87.5 | Confident | 74.1 | Confident | 177 Ų | 177 | 112 Ų | 112 | 83% | 0.827 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 139.1 | 179.7 | -61.9 | -178.1 | 164.6 | 0 | 0 | 110.6 | ||
| 125 | D | 91.6 | Very high | 76.7 | Confident | 87 Ų | 87 | 105 Ų | 105 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 131.8 | 175.9 | -69.7 | -19.6 | 0 | 0 | 0 | 109.5 | N266 V268 | D125-N266 CarbonylContact C-O 3.55Å; D125-N266 VanDerWaalsContact CA-O 3.27Å; D125-N266 WeakPolarHBondContact CA-O 3.32Å; D125-N266 WeakPolarHBondContact OD1-CB 2.98Å; D125-N266 PolarHBondContact OD1-N 2.91Å; D125-N266 PolarHBondContact OD1-ND2 2.94Å; D125-V268 HydrophobicContact CB-CG2 4.43Å |
| 126 | T | 89.5 | Confident | 79.3 | Confident | 41 Ų | 41 | 103.5 Ų | 103.5 | 25% | 0.252 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.1 | 179.4 | -50.8 | 0 | 0 | 0 | 0 | 110 | H128 N266 V267 V268 | T126-H128 WeakPolarHBondContact CG2-NE2 3.45Å; T126-N266 PolarHBondContact N-O 3.41Å; T126-V267 WeakPolarHBondContact O-CA 3.38Å; T126-V268 PolarHBondContact O-N 3.19Å |
| 127 | V | 92.9 | Very high | 81.7 | Confident | 91 Ų | 91 | 100.5 Ų | 100.5 | 55% | 0.552 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.4 | -179.5 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | V268 V270 | V127-V268 CarbonylContact C-O 3.52Å; V127-V268 WeakPolarHBondContact CA-O 3.46Å; V127-V268 HydrophobicContact CG2-CB 4.45Å; V127-V270 HydrophobicContact CG1-CG2 3.64Å |
| 128 | H | 92 | Very high | 84.1 | Confident | 62 Ų | 62 | 90 Ų | 90 | 29% | 0.287 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.5 | 177.1 | -74.6 | -67.6 | 0 | 0 | 0 | 111.4 | T126 L130 L145 L147 V268 I269 V270 | T126-H128 WeakPolarHBondContact CG2-NE2 3.45Å; H128-L130 PolarHBondContact O-N 2.84Å; H128-L145 HydrophobicContact CB-CD2 4.41Å; H128-L147 WeakPolarHBondContact NE2-CD2 3.24Å; H128-V268 PolarHBondContact N-O 2.74Å; H128-I269 VanDerWaalsContact O-CA 3.3Å; H128-I269 WeakPolarHBondContact O-CA 3.09Å; H128-V270 PolarHBondContact O-N 3.23Å |
| 129 | P | 94.1 | Very high | 86.3 | Confident | 78 Ų | 78 | 82.6 Ų | 82.6 | 51% | 0.506 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124 | 174.4 | 29.1 | -31.9 | 0 | 0 | 0 | 110.9 | V270 Q272 | P129-V270 WeakPolarHBondContact CA-O 3.34Å; P129-Q272 VanDerWaalsContact CB-CD 3.48Å; P129-Q272 HydrophobicContact CB-CG 4.16Å |
| 130 | L | 94.2 | Very high | 88.2 | Confident | 24 Ų | 24 | 74.1 Ų | 74.1 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 114.7 | 174.4 | -177.9 | 65 | 0 | 0 | 0 | 109.4 | H128 V132 A143 V238 I240 I269 V270 L271 Q272 | H128-L130 PolarHBondContact O-N 2.84Å; L130-V132 HydrophobicContact CD2-CG2 4.29Å; L130-V132 HydrophobicContact CG-CG2 4.02Å; L130-A143 HydrophobicContact CD2-CB 4.13Å; L130-V238 HydrophobicContact CD2-CB 4.35Å; L130-V238 HydrophobicContact CD2-CG1 4.02Å; L130-I240 HydrophobicContact CD2-CD1 4Å; L130-I240 HydrophobicContact CD2-CG1 4.46Å; L130-I269 HydrophobicContact CB-CG2 3.56Å; L130-I269 HydrophobicContact CD2-CG2 4.15Å; L130-I269 HydrophobicContact CG-CG2 4.49Å; L130-V270 PolarHBondContact N-O 2.82Å; L130-L271 HydrophobicContact CB-CD2 4.29Å; L130-L271 HydrophobicContact CD2-CD2 3.95Å; L130-L271 HydrophobicContact CG-CD2 4.47Å; L130-Q272 PolarHBondContact O-N 2.89Å |
| 131 | R | 94.1 | Very high | 90 | Very high | 185 Ų | 185 | 68.7 Ų | 68.7 | 70% | 0.698 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 122.9 | 178.4 | -64.3 | -180 | 176.2 | 172.3 | -2.6 | 110.6 | Q272 K274 | R131-Q272 CarbonylContact C-O 3.57Å; R131-Q272 WeakPolarHBondContact CA-O 3.26Å; R131-K274 HydrophobicContact CB-CG 4.41Å |
| 132 | V | 93.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.7 | -173.8 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | L130 D136 L137 I240 L271 Q272 G273 K274 | L130-V132 HydrophobicContact CD2-CG2 4.29Å; L130-V132 HydrophobicContact CG-CG2 4.02Å; V132-D136 HydrophobicContact CG1-CB 3.4Å; V132-L137 HydrophobicContact CB-CD2 4.42Å; V132-L137 HydrophobicContact CB-CG 4.48Å; V132-L137 HydrophobicContact CG1-CD2 3.81Å; V132-L137 HydrophobicContact CG1-CG 3.79Å; V132-I240 HydrophobicContact CG1-CD1 3.95Å; V132-I240 HydrophobicContact CG2-CD1 3.64Å; V132-L271 HydrophobicContact CG2-CD2 4.05Å; V132-Q272 PolarHBondContact N-O 3.1Å; V132-G273 CarbonylContact O-C 3.58Å; V132-G273 WeakPolarHBondContact O-CA 3.43Å; V132-K274 PolarHBondContact O-N 3.42Å |
| 133 | T | 93.8 | Very high | 91.8 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 23% | 0.233 | 31% | 0.311 | C | S | . | . | trans | -79.8 | 161.2 | 174.7 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | E135 D136 L137 K274 | T133-E135 VanDerWaalsContact C-N 3.26Å; T133-E135 PolarHBondContact O-N 3.06Å; T133-D136 PolarHBondContact O-N 3.32Å; T133-D136 WeakPolarHBondContact OG1-CB 3.45Å; T133-D136 PolarHBondContact OG1-N 3.15Å; T133-D136 PolarHBondContact OG1-OD1 3.5Å; T133-D136 PolarHBondContact OG1-OD2 2.8Å; T133-L137 WeakPolarHBondContact O-CG 3.36Å; T133-L137 PolarHBondContact O-N 2.91Å; T133-L137 VanDerWaalsContact O-N 3.14Å; T133-K274 HydrophobicContact CG2-CD 4.12Å | ||
| 134 | L | 92.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 65.3 Ų | 65.3 | 6% | 0.058 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -35.4 | 173.5 | -72.5 | -174.2 | 0 | 0 | 0 | 112.3 | L137 Y138 H276 F279 R281 L308 | L134-L137 HydrophobicContact CD2-CD1 4.29Å; L134-L137 PolarHBondContact O-N 3.5Å; L134-Y138 PolarHBondContact O-N 3.24Å; L134-H276 HydrophobicContact CB-CB 4.37Å; L134-H276 HydrophobicContact CD1-CB 3.43Å; L134-H276 VanDerWaalsContact CD1-CB 3.43Å; L134-H276 HydrophobicContact CG-CB 3.97Å; L134-F279 HydrophobicContact CD1-CB 4.21Å; L134-F279 WeakPolarHBondContact CD1-O 3.26Å; L134-R281 HydrophobicContact CD1-CB 4.45Å; L134-R281 HydrophobicContact CD2-CB 4.02Å; L134-L308 HydrophobicContact CB-CD1 4.39Å; L134-L308 HydrophobicContact CB-CD2 4.13Å |
| 135 | E | 92.7 | Very high | 92.6 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 174.8 | -61.7 | 170.7 | -178.2 | 0 | 0 | 112 | T133 L137 Y138 N139 L308 | T133-E135 VanDerWaalsContact C-N 3.26Å; T133-E135 PolarHBondContact O-N 3.06Å; E135-L137 VanDerWaalsContact C-N 3.28Å; E135-L137 PolarHBondContact O-N 3.06Å; E135-Y138 PolarHBondContact O-N 2.73Å; E135-N139 PolarHBondContact O-N 2.96Å; E135-N139 PolarHBondContact O-ND2 2.74Å; E135-L308 HydrophobicContact CG-CD2 3.96Å |
| 136 | D | 92.6 | Very high | 92.6 | Very high | 31 Ų | 31 | 61 Ų | 61 | 17% | 0.166 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -35.7 | 176.2 | -70.9 | -19.5 | 0 | 0 | 0 | 111 | V132 T133 G140 K141 | V132-D136 HydrophobicContact CG1-CB 3.4Å; T133-D136 PolarHBondContact O-N 3.32Å; T133-D136 WeakPolarHBondContact OG1-CB 3.45Å; T133-D136 PolarHBondContact OG1-N 3.15Å; T133-D136 PolarHBondContact OG1-OD1 3.5Å; T133-D136 PolarHBondContact OG1-OD2 2.8Å; D136-G140 CarbonylContact O-C 3.56Å; D136-G140 VanDerWaalsContact O-CA 3.24Å; D136-G140 WeakPolarHBondContact O-CA 3.17Å; D136-G140 PolarHBondContact O-N 3.45Å; D136-K141 HydrophobicContact CB-CB 4.27Å; D136-K141 HydrophobicContact CB-CD 3.92Å; D136-K141 WeakPolarHBondContact OD1-CD 3.27Å; D136-K141 IonicContact OD1-NZ 2.73Å; D136-K141 PolarHBondContact OD1-NZ 2.92Å; D136-K141 WeakPolarHBondContact OD2-CD 3.3Å; D136-K141 IonicContact OD2-NZ 3.49Å; D136-K141 PolarHBondContact OD2-NZ 2.82Å |
| 137 | L | 92.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -74.3 | -24.8 | 175.7 | -66.6 | 173.5 | 0 | 0 | 0 | 113 | V132 T133 L134 E135 I240 P242 G243 M244 L271 M336 | V132-L137 HydrophobicContact CB-CD2 4.42Å; V132-L137 HydrophobicContact CB-CG 4.48Å; V132-L137 HydrophobicContact CG1-CD2 3.81Å; V132-L137 HydrophobicContact CG1-CG 3.79Å; T133-L137 WeakPolarHBondContact O-CG 3.36Å; T133-L137 PolarHBondContact O-N 2.91Å; T133-L137 VanDerWaalsContact O-N 3.14Å; L134-L137 HydrophobicContact CD2-CD1 4.29Å; L134-L137 PolarHBondContact O-N 3.5Å; E135-L137 VanDerWaalsContact C-N 3.28Å; E135-L137 PolarHBondContact O-N 3.06Å; L137-I240 HydrophobicContact CD2-CG2 3.86Å; L137-P242 WeakPolarHBondContact O-CA 3.48Å; L137-G243 PolarHBondContact O-N 3.41Å; L137-M244 HydrophobicContact CD2-CB 4.33Å; L137-L271 HydrophobicContact CD2-CD1 4.46Å; L137-M336 HydrophobicContact CB-CE 3.86Å |
| 138 | Y | 92.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 60.8 Ų | 60.8 | 7% | 0.071 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -80.4 | -52 | 178.3 | -171.8 | -81.9 | 0 | 0 | 0 | 111.2 | L134 E135 L308 N309 G335 M336 K344 | L134-Y138 PolarHBondContact O-N 3.24Å; E135-Y138 PolarHBondContact O-N 2.73Å; Y138-L308 HydrophobicContact CD1-CB 4.3Å; Y138-L308 HydrophobicContact CD2-CB 3.95Å; Y138-L308 HydrophobicContact CD2-CD1 3.82Å; Y138-L308 HydrophobicContact CG-CB 3.8Å; Y138-L308 HydrophobicContact CG-CD1 4.24Å; Y138-N309 HydrophobicContact CD1-CB 4.22Å; Y138-N309 HydrophobicContact CE1-CB 3.81Å; Y138-G335 VanDerWaalsContact CE2-O 3.31Å; Y138-G335 WeakPolarHBondContact CE2-O 3.3Å; Y138-M336 HydrophobicContact CD2-SD 3.99Å; Y138-K344 WeakPolarHBondContact OH-CE 3.47Å; Y138-K344 PolarHBondContact OH-NZ 3.33Å |
| 139 | N | 90.7 | Very high | 92.5 | Very high | 85 Ų | 85 | 59.1 Ų | 59.1 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -82.1 | -21.7 | -176.1 | -62.1 | -50.7 | 0 | 0 | 0 | 112.8 | E135 L308 | E135-N139 PolarHBondContact O-N 2.96Å; E135-N139 PolarHBondContact O-ND2 2.74Å; N139-L308 PolarHBondContact ND2-O 3.02Å |
| 140 | G | 91.6 | Very high | 92.3 | Very high | 25 Ų | 25 | 60.2 Ų | 60.2 | 26% | 0.258 | 30% | 0.295 | S | S | . | . | trans | 79.6 | 147.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D136 I240 | D136-G140 CarbonylContact O-C 3.56Å; D136-G140 VanDerWaalsContact O-CA 3.24Å; D136-G140 WeakPolarHBondContact O-CA 3.17Å; D136-G140 PolarHBondContact O-N 3.45Å; G140-I240 VanDerWaalsContact CA-O 3.29Å; G140-I240 WeakPolarHBondContact CA-O 3.38Å | ||
| 141 | K | 92.7 | Very high | 92.1 | Very high | 89 Ų | 89 | 60.1 Ų | 60.1 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 140.3 | -176.6 | -178.5 | 167.9 | -178.4 | 171.7 | 0 | 111.8 | D136 I240 | D136-K141 HydrophobicContact CB-CB 4.27Å; D136-K141 HydrophobicContact CB-CD 3.92Å; D136-K141 WeakPolarHBondContact OD1-CD 3.27Å; D136-K141 IonicContact OD1-NZ 2.73Å; D136-K141 PolarHBondContact OD1-NZ 2.92Å; D136-K141 WeakPolarHBondContact OD2-CD 3.3Å; D136-K141 IonicContact OD2-NZ 3.49Å; D136-K141 PolarHBondContact OD2-NZ 2.82Å; K141-I240 HydrophobicContact CB-CD1 4.41Å; K141-I240 PolarHBondContact N-O 2.95Å; K141-I240 VanDerWaalsContact O-CB 3.3Å; K141-I240 WeakPolarHBondContact O-CB 3.29Å; K141-I240 PolarHBondContact O-N 2.81Å |
| 142 | V | 94.4 | Very high | 91.8 | Very high | 88 Ų | 88 | 53.6 Ų | 53.6 | 53% | 0.533 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 106.4 | 168.5 | -177.8 | 0 | 0 | 0 | 0 | 108 | E237 | V142-E237 HydrophobicContact CG1-CB 4.48Å |
| 143 | A | 92.3 | Very high | 91.3 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L130 V238 I240 | L130-A143 HydrophobicContact CD2-CB 4.13Å; A143-V238 HydrophobicContact CB-CB 4.48Å; A143-V238 PolarHBondContact N-O 3.24Å; A143-V238 PolarHBondContact O-N 2.77Å; A143-I240 HydrophobicContact CB-CD1 4.32Å |
| 144 | K | 93.2 | Very high | 90.8 | Very high | 143 Ų | 143 | 56.1 Ų | 56.1 | 62% | 0.622 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 113.4 | 175.2 | -65.2 | -172.7 | 175.7 | -163.4 | 0 | 109.4 | L235 E237 | K144-L235 HydrophobicContact CB-CD1 4.31Å; K144-L235 HydrophobicContact CB-CD2 3.98Å; K144-L235 HydrophobicContact CB-CG 4.26Å; K144-L235 HydrophobicContact CD-CD1 4.46Å; K144-L235 HydrophobicContact CD-CD2 4.03Å; K144-L235 HydrophobicContact CG-CD2 4.02Å; K144-E237 WeakPolarHBondContact CE-OE1 3.31Å; K144-E237 HydrophobicContact CG-CG 4.39Å; K144-E237 IonicContact NZ-OE1 3.72Å; K144-E237 PolarHBondContact NZ-OE1 2.84Å |
| 145 | L | 91.1 | Very high | 90.1 | Very high | 41 Ų | 41 | 62.5 Ų | 62.5 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.7 | -180 | -174.6 | 67 | 0 | 0 | 0 | 109.9 | H128 L147 L236 V238 I269 | H128-L145 HydrophobicContact CB-CD2 4.41Å; L145-L147 HydrophobicContact CD2-CD1 4.34Å; L145-L147 HydrophobicContact CD2-CD2 3.67Å; L145-L147 HydrophobicContact CD2-CG 4.05Å; L145-L147 HydrophobicContact CG-CD2 3.83Å; L145-L147 HydrophobicContact CG-CG 4.1Å; L145-L236 PolarHBondContact N-O 3.37Å; L145-L236 PolarHBondContact O-N 3.16Å; L145-V238 HydrophobicContact CB-CG2 4.26Å; L145-I269 HydrophobicContact CD2-CD1 3.83Å |
| 146 | Q | 91.6 | Very high | 88.9 | Confident | 132 Ų | 132 | 60.4 Ų | 60.4 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 115.7 | 172.5 | -175.5 | 176.8 | -15.9 | 0 | 0 | 109.4 | A233 | Q146-A233 HydrophobicContact CG-CB 4.29Å |
| 147 | L | 90.4 | Very high | 87.6 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.6 | 176.7 | -65 | -175.3 | 0 | 0 | 0 | 110.8 | H128 L145 A233 K234 L236 V267 | H128-L147 WeakPolarHBondContact NE2-CD2 3.24Å; L145-L147 HydrophobicContact CD2-CD1 4.34Å; L145-L147 HydrophobicContact CD2-CD2 3.67Å; L145-L147 HydrophobicContact CD2-CG 4.05Å; L145-L147 HydrophobicContact CG-CD2 3.83Å; L145-L147 HydrophobicContact CG-CG 4.1Å; L147-A233 CarbonylContact O-C 3.55Å; L147-A233 WeakPolarHBondContact O-CA 3.24Å; L147-K234 PolarHBondContact N-O 3.42Å; L147-K234 PolarHBondContact O-N 3.05Å; L147-L236 HydrophobicContact CD1-CD1 3.45Å; L147-L236 VanDerWaalsContact CD1-CD1 3.45Å; L147-L236 HydrophobicContact CD1-CG 4.25Å; L147-L236 HydrophobicContact CG-CD1 4.37Å; L147-V267 HydrophobicContact CD1-CB 4.47Å; L147-V267 HydrophobicContact CD1-CG1 3.61Å; L147-V267 HydrophobicContact CD1-CG2 4.13Å |
| 148 | N | 91.4 | Very high | 85.9 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 61% | 0.61 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 103 | 172.3 | -66.1 | -31.1 | 0 | 0 | 0 | 108.2 | T231 | N148-T231 HydrophobicContact CB-CG2 3.91Å |
| 149 | K | 90.1 | Very high | 84 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 146.6 | 179.4 | 56.4 | 165.8 | -176.7 | 172.9 | 0 | 111.1 | V151 T231 E232 K234 E255 | K149-V151 HydrophobicContact CD-CG2 3.61Å; K149-V151 VanDerWaalsContact CE-CG2 3.44Å; K149-V151 HydrophobicContact CG-CG2 3.75Å; K149-T231 CarbonylContact O-C 3.57Å; K149-T231 WeakPolarHBondContact O-CA 3.47Å; K149-E232 WeakPolarHBondContact CG-O 3.35Å; K149-E232 PolarHBondContact N-O 3.4Å; K149-E232 PolarHBondContact O-N 2.79Å; K149-K234 HydrophobicContact CD-CB 4.4Å; K149-K234 HydrophobicContact CD-CD 4.43Å; K149-K234 HydrophobicContact CG-CB 4.5Å; K149-E255 IonicContact NZ-OE2 2.73Å |
| 150 | K | 90.5 | Very high | 81.8 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.6 | 168.3 | -65.3 | 172.8 | -168.8 | 153.2 | 0 | 108.5 | D257 Q258 | K150-D257 HydrophobicContact CB-CB 4.33Å; K150-D257 PolarHBondContact N-OD1 3.05Å; K150-D257 IonicContact NZ-OD2 2.68Å; K150-Q258 WeakPolarHBondContact O-CB 3.27Å; K150-Q258 PolarHBondContact O-N 3.35Å |
| 151 | V | 89.3 | Confident | 79.4 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 148.4 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | K149 C153 R229 I230 E232 | K149-V151 HydrophobicContact CD-CG2 3.61Å; K149-V151 VanDerWaalsContact CE-CG2 3.44Å; K149-V151 HydrophobicContact CG-CG2 3.75Å; V151-C153 PolarHBondContact O-N 3.41Å; V151-R229 CarbonylContact O-C 3.6Å; V151-R229 VanDerWaalsContact O-CA 3.29Å; V151-R229 WeakPolarHBondContact O-CA 3.45Å; V151-I230 PolarHBondContact N-O 3.49Å; V151-I230 PolarHBondContact O-N 2.87Å; V151-E232 HydrophobicContact CG2-CB 3.98Å; V151-E232 WeakPolarHBondContact CG2-OE2 3.44Å |
| 152 | I | 86.7 | Confident | 76.6 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 129.2 | 171.3 | -69.5 | 168.1 | 0 | 0 | 0 | 108.9 | P154 Q258 | I152-P154 WeakPolarHBondContact O-CD 3.49Å; I152-P154 VanDerWaalsContact O-N 3.16Å; I152-Q258 HydrophobicContact CD1-CB 4.28Å; I152-Q258 HydrophobicContact CG1-CB 3.96Å |
| 153 | C | 83.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -60.2 | 121.2 | -176.9 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | V151 K155 C156 N157 C224 K228 I230 | V151-C153 PolarHBondContact O-N 3.41Å; C153-K155 PolarHBondContact O-N 2.63Å; C153-C156 WeakPolarHBondContact CB-SG 3.29Å; C153-C156 PolarHBondContact O-N 2.97Å; C153-C156 VanDerWaalsContact SG-SG 3.62Å; C153-N157 WeakPolarHBondContact O-CA 3.33Å; C153-N157 PolarHBondContact O-N 2.78Å; C153-C224 HydrophobicContact CB-CB 3.93Å; C153-K228 WeakPolarHBondContact CB-O 3.45Å; C153-K228 PolarHBondContact N-O 3.45Å; C153-I230 HydrophobicContact CB-CD1 3.92Å; C153-I230 HydrophobicContact CB-CG1 3.96Å | ||
| 154 | P | 82.8 | Confident | 70.6 | Confident | 94 Ų | 94 | 77.2 Ų | 77.2 | 61% | 0.61 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.1 | -173.2 | 26.7 | -34.7 | 0 | 0 | 0 | 112.5 | I152 N157 | I152-P154 WeakPolarHBondContact O-CD 3.49Å; I152-P154 VanDerWaalsContact O-N 3.16Å; P154-N157 PolarHBondContact O-OD1 2.82Å |
| 155 | K | 78.3 | Confident | 67.8 | Low | 145 Ų | 145 | 74.3 Ų | 74.3 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -25.4 | 178 | -72.7 | -170.8 | -175.5 | 174.3 | 0 | 114.2 | C153 Q223 | C153-K155 PolarHBondContact O-N 2.63Å; K155-Q223 VanDerWaalsContact CD-CD 3.44Å; K155-Q223 HydrophobicContact CD-CG 4Å |
| 156 | C | 68.1 | Low | 64.9 | Low | 35 Ų | 35 | 82.1 Ų | 82.1 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 1.7 | 179 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | C153 G158 G159 C221 | C153-C156 WeakPolarHBondContact CB-SG 3.29Å; C153-C156 PolarHBondContact O-N 2.97Å; C153-C156 VanDerWaalsContact SG-SG 3.62Å; C156-G158 PolarHBondContact O-N 2.85Å; C156-G159 PolarHBondContact O-N 2.84Å; C156-C221 HydrophobicContact CB-CB 4.48Å |
| 157 | N | 65.1 | Low | 62.1 | Low | 116 Ų | 116 | 80.5 Ų | 80.5 | 62% | 0.62 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.5 | 32.2 | -176.7 | -75.7 | -14.6 | 0 | 0 | 0 | 114.1 | C153 P154 G159 | C153-N157 WeakPolarHBondContact O-CA 3.33Å; C153-N157 PolarHBondContact O-N 2.78Å; P154-N157 PolarHBondContact O-OD1 2.82Å; N157-G159 PolarHBondContact O-N 2.82Å; N157-G159 VanDerWaalsContact O-N 3.08Å |
| 158 | G | 57.6 | Low | 59.2 | Low | 6 Ų | 6 | 88.4 Ų | 88.4 | 6% | 0.062 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 2.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C156 S160 P260 | C156-G158 PolarHBondContact O-N 2.85Å; G158-S160 PolarHBondContact O-N 2.72Å; G158-S160 VanDerWaalsContact O-N 3.09Å; G158-P260 VanDerWaalsContact O-CB 3.32Å; G158-P260 WeakPolarHBondContact O-CB 3.44Å |
| 159 | G | 52.2 | Low | 56.4 | Low | 37 Ų | 37 | 87.1 Ų | 87.1 | 38% | 0.381 | 51% | 0.512 | S | S | . | . | trans | -70 | 104.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | C156 N157 | C156-G159 PolarHBondContact O-N 2.84Å; N157-G159 PolarHBondContact O-N 2.82Å; N157-G159 VanDerWaalsContact O-N 3.08Å | ||
| 160 | S | 45 | Very low | 53.8 | Low | 43 Ų | 43 | 88.7 Ų | 88.7 | 30% | 0.301 | 54% | 0.537 | S | S | . | . | S | Bend | -64.4 | 128.8 | 120.2 | 36.3 | 0 | 0 | 0 | 0 | 106.9 | G158 G162 Y175 K228 | G158-S160 PolarHBondContact O-N 2.72Å; G158-S160 VanDerWaalsContact O-N 3.09Å; S160-G162 PolarHBondContact O-N 2.89Å; S160-Y175 WeakPolarHBondContact CA-OH 3.45Å; S160-K228 VanDerWaalsContact CB-CE 3.47Å; S160-K228 PolarHBondContact OG-NZ 2.82Å | |
| 161 | L | 41.3 | Very low | 51.6 | Low | 109 Ų | 109 | 92.1 Ų | 92.1 | 57% | 0.571 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -36.1 | 116.8 | 172.2 | -108.2 | 80.9 | 0 | 0 | 0 | 111.2 | Y175 | L161-Y175 HydrophobicContact CB-CD2 3.84Å; L161-Y175 HydrophobicContact CB-CE1 4.36Å; L161-Y175 HydrophobicContact CB-CE2 3.4Å; L161-Y175 VanDerWaalsContact CB-CE2 3.4Å; L161-Y175 HydrophobicContact CD1-CD2 4.08Å; L161-Y175 HydrophobicContact CD1-CE2 3.19Å; L161-Y175 HydrophobicContact CD2-CD2 4.16Å; L161-Y175 HydrophobicContact CD2-CE2 4.06Å; L161-Y175 HydrophobicContact CG-CD2 4.2Å; L161-Y175 HydrophobicContact CG-CE2 3.66Å; L161-Y175 VanDerWaalsContact N-CZ 3.27Å; L161-Y175 PolarHBondContact N-OH 2.91Å |
| 162 | G | 34.5 | Very low | 49.4 | Very low | 63 Ų | 63 | 97.6 Ų | 97.6 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | trans | -166.7 | 51 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S160 | S160-G162 PolarHBondContact O-N 2.89Š| ||
| 163 | I | 32.1 | Very low | 47.8 | Very low | 157 Ų | 157 | 98.1 Ų | 98.1 | 81% | 0.805 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 77.2 | 113.3 | 163.6 | -50.3 | 166.2 | 0 | 0 | 0 | 114.5 | ||
| 164 | M | 28.6 | Very low | 46.6 | Very low | 175 Ų | 175 | 98.9 Ų | 98.9 | 86% | 0.862 | 61% | 0.608 | S | S | * | * | trans | 80.5 | 87.3 | 168.8 | -51.7 | -129 | -176.9 | 0 | 0 | 118.5 | ||||
| 165 | A | 34.6 | Very low | 45.6 | Very low | 83 Ų | 83 | 97.2 Ų | 97.2 | 69% | 0.686 | 59% | 0.589 | S | S | * | * | trans | -161.4 | 103.2 | 139.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S167 | A165-S167 PolarHBondContact O-N 3.09Š| ||
| 166 | F | 29.8 | Very low | 45.3 | Very low | 205 Ų | 205 | 93.7 Ų | 93.7 | 90% | 0.899 | 58% | 0.58 | S | S | * | * | trans | -60.3 | 105.8 | 164.8 | -77.1 | -110.6 | 0 | 0 | 0 | 109.5 | ||||
| 167 | S | 32.6 | Very low | 45.8 | Very low | 98 Ų | 98 | 98.9 Ų | 98.9 | 69% | 0.685 | 60% | 0.601 | S | S | * | * | trans | 164.9 | 112.4 | 143 | 41.5 | 0 | 0 | 0 | 0 | 112.3 | A165 | A165-S167 PolarHBondContact O-N 3.09Š| ||
| 168 | L | 30.2 | Very low | 46.6 | Very low | 180 Ų | 180 | 93.4 Ų | 93.4 | 94% | 0.942 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 47.8 | 95.7 | 142.1 | -64.5 | 130.1 | 0 | 0 | 0 | 118.4 | ||
| 169 | G | 30.5 | Very low | 47.9 | Very low | 86 Ų | 86 | 97.7 Ų | 97.7 | 89% | 0.887 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 172 | -20.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 170 | G | 35.6 | Very low | 49.3 | Very low | 61 Ų | 61 | 97.4 Ų | 97.4 | 63% | 0.629 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -152.8 | 142.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T172 | G170-T172 PolarHBondContact O-N 3.23Š|
| 171 | K | 44.6 | Very low | 51.1 | Low | 172 Ų | 172 | 95.7 Ų | 95.7 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | trans | -61.3 | 129.7 | -176.8 | -73 | 177.8 | -179.9 | 175.7 | 0 | 109.9 | G173 | K171-G173 PolarHBondContact O-N 3.25Š| ||
| 172 | T | 43 | Very low | 53.1 | Low | 137 Ų | 137 | 100.1 Ų | 100.1 | 84% | 0.84 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | 105.9 | 167.1 | 45 | 0 | 0 | 0 | 0 | 109.4 | G170 | G170-T172 PolarHBondContact O-N 3.23Š|
| 173 | G | 53.9 | Low | 55.2 | Low | 58 Ų | 58 | 98.8 Ų | 98.8 | 60% | 0.598 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.8 | 9.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 118 | K171 Y175 | K171-G173 PolarHBondContact O-N 3.25Å; G173-Y175 PolarHBondContact O-N 3.24Å |
| 174 | S | 58.2 | Low | 57.4 | Low | 17 Ų | 17 | 98.4 Ų | 98.4 | 12% | 0.119 | 58% | 0.578 | C | S | . | * | trans | -77.4 | 27.5 | 178.5 | 63.4 | 0 | 0 | 0 | 0 | 115.1 | D219 | S174-D219 WeakPolarHBondContact CB-OD2 3.4Š| ||
| 175 | Y | 62.2 | Low | 59.8 | Low | 58 Ų | 58 | 90.2 Ų | 90.2 | 23% | 0.227 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 105.2 | 177.6 | -66.8 | -97.1 | 0 | 0 | 0 | 107.6 | S160 L161 G173 I215 | S160-Y175 WeakPolarHBondContact CA-OH 3.45Å; L161-Y175 HydrophobicContact CB-CD2 3.84Å; L161-Y175 HydrophobicContact CB-CE1 4.36Å; L161-Y175 HydrophobicContact CB-CE2 3.4Å; L161-Y175 VanDerWaalsContact CB-CE2 3.4Å; L161-Y175 HydrophobicContact CD1-CD2 4.08Å; L161-Y175 HydrophobicContact CD1-CE2 3.19Å; L161-Y175 HydrophobicContact CD2-CD2 4.16Å; L161-Y175 HydrophobicContact CD2-CE2 4.06Å; L161-Y175 HydrophobicContact CG-CD2 4.2Å; L161-Y175 HydrophobicContact CG-CE2 3.66Å; L161-Y175 VanDerWaalsContact N-CZ 3.27Å; L161-Y175 PolarHBondContact N-OH 2.91Å; G173-Y175 PolarHBondContact O-N 3.24Å; Y175-I215 HydrophobicContact CD1-CG1 4.34Å; Y175-I215 HydrophobicContact CE1-CD1 4.11Å; Y175-I215 HydrophobicContact CE1-CG1 4.05Å |
| 176 | V | 72.5 | Confident | 62.3 | Low | 72 Ų | 72 | 89 Ų | 89 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.2 | 173 | -174.7 | 0 | 0 | 0 | 0 | 106.8 | C178 T213 V214 | V176-C178 PolarHBondContact O-N 2.86Å; V176-T213 WeakPolarHBondContact O-CA 3.25Å; V176-V214 PolarHBondContact N-O 3.5Å; V176-V214 PolarHBondContact O-N 2.77Å |
| 177 | Q | 78.7 | Confident | 64.9 | Low | 143 Ų | 143 | 83.9 Ų | 83.9 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 133 | 171.7 | -71.3 | -176.6 | -15.8 | 0 | 0 | 108.6 | A179 | Q177-A179 PolarHBondContact O-N 3.18Å |
| 178 | C | 80.9 | Confident | 67.3 | Low | 2 Ų | 2 | 83 Ų | 83 | 1% | 0.014 | 49% | 0.487 | C | S | . | . | trans | -60.1 | 110.3 | -178 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | V176 A180 C181 R182 C208 G212 V214 | V176-C178 PolarHBondContact O-N 2.86Å; C178-A180 PolarHBondContact O-N 3.19Å; C178-C181 WeakPolarHBondContact CB-SG 3.47Å; C178-C181 PolarHBondContact O-N 2.82Å; C178-C181 VanDerWaalsContact SG-SG 3.63Å; C178-R182 VanDerWaalsContact O-CA 3.26Å; C178-R182 WeakPolarHBondContact O-CA 3.49Å; C178-R182 PolarHBondContact O-N 3.04Å; C178-C208 HydrophobicContact CB-CB 3.74Å; C178-C208 VanDerWaalsContact SG-SG 3.64Å; C178-G212 VanDerWaalsContact CB-O 3.28Å; C178-G212 WeakPolarHBondContact CB-O 3.47Å; C178-G212 PolarHBondContact N-O 3.09Å; C178-V214 HydrophobicContact CB-CG2 3.77Å | ||
| 179 | A | 83.9 | Confident | 69.8 | Low | 96 Ų | 96 | 76.7 Ų | 76.7 | 79% | 0.793 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -28.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q177 | Q177-A179 PolarHBondContact O-N 3.18Š|
| 180 | A | 83 | Confident | 72.3 | Confident | 30 Ų | 30 | 76.9 Ų | 76.9 | 25% | 0.248 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -32 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | C178 R187 D207 | C178-A180 PolarHBondContact O-N 3.19Å; A180-R187 PolarHBondContact O-NE 2.8Å; A180-R187 VanDerWaalsContact O-NE 3.1Å; A180-D207 HydrophobicContact CB-CB 3.96Å; A180-D207 WeakPolarHBondContact CB-OD2 3.4Å |
| 181 | C | 82.7 | Confident | 74.6 | Confident | 8 Ų | 8 | 81.7 Ų | 81.7 | 5% | 0.054 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 3.2 | 175.3 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | C178 G183 H184 G185 C205 C208 | C178-C181 WeakPolarHBondContact CB-SG 3.47Å; C178-C181 PolarHBondContact O-N 2.82Å; C178-C181 VanDerWaalsContact SG-SG 3.63Å; C181-G183 PolarHBondContact O-N 3.32Å; C181-H184 VanDerWaalsContact O-CB 3.27Å; C181-H184 WeakPolarHBondContact O-CB 3.26Å; C181-H184 PolarHBondContact O-CD2 2.81Å; C181-H184 PolarHBondContact O-N 2.82Å; C181-G185 PolarHBondContact SG-N 2.82Å; C181-C205 HydrophobicContact CB-CB 3.77Å; C181-C208 PolarHBondContact SG-SG 2.99Å |
| 182 | R | 82.4 | Confident | 76.3 | Confident | 202 Ų | 202 | 81 Ų | 81 | 76% | 0.762 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 40.1 | -178 | -57.5 | -179 | -178.7 | -175.4 | -0.2 | 113 | C178 | C178-R182 VanDerWaalsContact O-CA 3.26Å; C178-R182 WeakPolarHBondContact O-CA 3.49Å; C178-R182 PolarHBondContact O-N 3.04Å |
| 183 | G | 78.5 | Confident | 78 | Confident | 34 Ų | 34 | 80 Ų | 80 | 35% | 0.351 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | C181 G185 G212 | C181-G183 PolarHBondContact O-N 3.32Å; G183-G185 VanDerWaalsContact C-N 3.34Å; G183-G185 PolarHBondContact O-N 2.89Å; G183-G212 WeakPolarHBondContact CA-O 3.3Å |
| 184 | H | 79 | Confident | 79.3 | Confident | 149 Ų | 149 | 79 Ų | 79 | 69% | 0.69 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -78.3 | -12.8 | -175.3 | -65.6 | -64.1 | 0 | 0 | 0 | 114.8 | C181 V186 | C181-H184 VanDerWaalsContact O-CB 3.27Å; C181-H184 WeakPolarHBondContact O-CB 3.26Å; C181-H184 PolarHBondContact O-CD2 2.81Å; C181-H184 PolarHBondContact O-N 2.82Å; H184-V186 HydrophobicContact CB-CG2 4.49Å; H184-V186 PolarHBondContact O-N 2.83Å |
| 185 | G | 78.7 | Confident | 80.1 | Confident | 3 Ų | 3 | 88 Ų | 88 | 3% | 0.031 | 46% | 0.463 | C | S | . | . | S | Bend | trans | 71.6 | -18.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | C181 G183 C205 G210 | C181-G185 PolarHBondContact SG-N 2.82Å; G183-G185 VanDerWaalsContact C-N 3.34Å; G183-G185 PolarHBondContact O-N 2.89Å; G185-C205 VanDerWaalsContact O-CB 3.24Å; G185-C205 WeakPolarHBondContact O-CB 3.08Å; G185-C205 PolarHBondContact O-N 3.12Å; G185-G210 WeakPolarHBondContact O-CA 3.36Å |
| 186 | V | 87.7 | Confident | 80.9 | Confident | 59 Ų | 59 | 89.3 Ų | 89.3 | 36% | 0.358 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.4 | -179.2 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | H184 T203 | H184-V186 HydrophobicContact CB-CG2 4.49Å; H184-V186 PolarHBondContact O-N 2.83Å; V186-T203 CarbonylContact C-O 3.56Å; V186-T203 WeakPolarHBondContact CA-O 3.5Å |
| 187 | R | 84.2 | Confident | 81.1 | Confident | 96 Ų | 96 | 92.4 Ų | 92.4 | 36% | 0.362 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.3 | 167.8 | -75.8 | -175.9 | 171.7 | 158.3 | -5.1 | 108.9 | A180 T203 C205 D207 | A180-R187 PolarHBondContact O-NE 2.8Å; A180-R187 VanDerWaalsContact O-NE 3.1Å; R187-T203 PolarHBondContact N-O 3.14Å; R187-T203 PolarHBondContact O-N 3.13Å; R187-T203 PolarHBondContact O-OG1 3.24Å; R187-C205 HydrophobicContact CG-CB 4.33Å; R187-D207 IonicContact CZ-OD2 3.53Å; R187-D207 IonicContact NH1-OD2 2.84Å; R187-D207 IonicContact NH2-OD2 3.01Å; R187-D207 PolarHBondContact NH2-OD2 2.92Å |
| 188 | V | 83.5 | Confident | 81.3 | Confident | 79 Ų | 79 | 89.9 Ų | 89.9 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 111.1 | 175.5 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | Q200 Q202 | V188-Q200 HydrophobicContact CG1-CB 3.81Å; V188-Q200 HydrophobicContact CG1-CG 4.19Å; V188-Q202 HydrophobicContact CG2-CG 4.39Å |
| 189 | A | 82.1 | Confident | 81.4 | Confident | 48 Ų | 48 | 94.3 Ų | 94.3 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | I201 | A189-I201 PolarHBondContact N-O 2.87Å; A189-I201 PolarHBondContact O-N 3.08Å |
| 190 | V | 82.6 | Confident | 81.4 | Confident | 90 Ų | 90 | 96.3 Ų | 96.3 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 116.1 | 176.7 | -171.9 | 0 | 0 | 0 | 0 | 108.7 | V198 Q200 | V190-V198 HydrophobicContact CG1-CB 3.65Å; V190-V198 HydrophobicContact CG1-CG1 3.85Å; V190-V198 HydrophobicContact CG1-CG2 4.44Å; V190-Q200 HydrophobicContact CG2-CG 4.34Å |
| 191 | R | 83.4 | Confident | 81.4 | Confident | 162 Ų | 162 | 97.7 Ų | 97.7 | 61% | 0.611 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.3 | 174.7 | -171.2 | 175.4 | -177 | 177.1 | 0.2 | 109.3 | Q199 I201 | R191-Q199 PolarHBondContact N-O 2.74Å; R191-Q199 PolarHBondContact O-N 3.2Å; R191-I201 HydrophobicContact CB-CD1 4.03Å |
| 192 | Q | 81.8 | Confident | 81.5 | Confident | 157 Ų | 157 | 104.1 Ų | 104.1 | 73% | 0.734 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 122.9 | 171.2 | -76.7 | 176.1 | 5.3 | 0 | 0 | 109.2 | V198 | Q192-V198 HydrophobicContact CG-CG1 3.75Å |
| 193 | L | 78.1 | Confident | 81.7 | Confident | 116 Ų | 116 | 97.8 Ų | 97.8 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -10.4 | 176 | -78.5 | 153.4 | 0 | 0 | 0 | 112.2 | M197 Q199 | L193-M197 PolarHBondContact N-O 3.43Å; L193-Q199 HydrophobicContact CD1-CB 3.52Å; L193-Q199 HydrophobicContact CD1-CG 4.39Å; L193-Q199 HydrophobicContact CG-CB 4.48Å |
| 194 | G | 81 | Confident | 82 | Confident | 38 Ų | 38 | 99.1 Ų | 99.1 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.1 | -175.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G196 M197 | G194-G196 PolarHBondContact O-N 2.86Å; G194-M197 PolarHBondContact O-N 3.03Å |
| 195 | H | 76.2 | Confident | 82.2 | Confident | 206 Ų | 206 | 92 Ų | 92 | 95% | 0.954 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 111.3 | 178.3 | -60.5 | 98.4 | 0 | 0 | 0 | 110.5 | ||
| 196 | G | 78.7 | Confident | 82.4 | Confident | 85 Ų | 85 | 100 Ų | 100 | 88% | 0.876 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -2.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | G194 | G194-G196 PolarHBondContact O-N 2.86Š|
| 197 | M | 75.4 | Confident | 82.1 | Confident | 138 Ų | 138 | 101.6 Ų | 101.6 | 68% | 0.68 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.8 | -178.4 | -66.4 | -174.8 | -178.3 | 0 | 0 | 112 | L193 G194 | L193-M197 PolarHBondContact N-O 3.43Å; G194-M197 PolarHBondContact O-N 3.03Å |
| 198 | V | 83.9 | Confident | 81.7 | Confident | 90 Ų | 90 | 97.5 Ų | 97.5 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.4 | 173.9 | -70.4 | 0 | 0 | 0 | 0 | 110.2 | V190 Q192 | V190-V198 HydrophobicContact CG1-CB 3.65Å; V190-V198 HydrophobicContact CG1-CG1 3.85Å; V190-V198 HydrophobicContact CG1-CG2 4.44Å; Q192-V198 HydrophobicContact CG-CG1 3.75Å |
| 199 | Q | 82.9 | Confident | 81.2 | Confident | 95 Ų | 95 | 100.5 Ų | 100.5 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.6 | 169.7 | -177.8 | 179.2 | 38.6 | 0 | 0 | 109.1 | R191 L193 I201 | R191-Q199 PolarHBondContact N-O 2.74Å; R191-Q199 PolarHBondContact O-N 3.2Å; L193-Q199 HydrophobicContact CD1-CB 3.52Å; L193-Q199 HydrophobicContact CD1-CG 4.39Å; L193-Q199 HydrophobicContact CG-CB 4.48Å; Q199-I201 HydrophobicContact CG-CG1 4.16Å |
| 200 | Q | 83.3 | Confident | 80.8 | Confident | 137 Ų | 137 | 100.1 Ų | 100.1 | 64% | 0.64 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 112.6 | 171.8 | -64.2 | -171.7 | -0.8 | 0 | 0 | 108.9 | V188 V190 | V188-Q200 HydrophobicContact CG1-CB 3.81Å; V188-Q200 HydrophobicContact CG1-CG 4.19Å; V190-Q200 HydrophobicContact CG2-CG 4.34Å |
| 201 | I | 83.4 | Confident | 80.4 | Confident | 60 Ų | 60 | 100.1 Ų | 100.1 | 31% | 0.308 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 116.8 | 175.8 | -56.8 | 175.8 | 0 | 0 | 0 | 107.6 | A189 R191 Q199 T203 | A189-I201 PolarHBondContact N-O 2.87Å; A189-I201 PolarHBondContact O-N 3.08Å; R191-I201 HydrophobicContact CB-CD1 4.03Å; Q199-I201 HydrophobicContact CG-CG1 4.16Å; I201-T203 HydrophobicContact CG2-CG2 4.22Å; I201-T203 PolarHBondContact O-N 2.96Å |
| 202 | Q | 85.6 | Confident | 79.9 | Confident | 142 Ų | 142 | 92.7 Ų | 92.7 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 118.7 | 170.9 | -60 | -172.8 | 4.1 | 0 | 0 | 108.5 | V188 | V188-Q202 HydrophobicContact CG2-CG 4.39Å |
| 203 | T | 86.4 | Confident | 79.7 | Confident | 69 Ų | 69 | 87.2 Ų | 87.2 | 42% | 0.423 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 143.1 | 174.9 | 34.4 | 0 | 0 | 0 | 0 | 109.5 | V186 R187 I201 C205 | V186-T203 CarbonylContact C-O 3.56Å; V186-T203 WeakPolarHBondContact CA-O 3.5Å; R187-T203 PolarHBondContact N-O 3.14Å; R187-T203 PolarHBondContact O-N 3.13Å; R187-T203 PolarHBondContact O-OG1 3.24Å; I201-T203 HydrophobicContact CG2-CG2 4.22Å; I201-T203 PolarHBondContact O-N 2.96Å; T203-C205 PolarHBondContact O-N 3.21Å |
| 204 | A | 85.2 | Confident | 79.6 | Confident | 63 Ų | 63 | 83.7 Ų | 83.7 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 134.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | K206 | A204-K206 PolarHBondContact O-N 3.49Å |
| 205 | C | 83.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 46% | 0.459 | C | S | . | . | trans | -63.2 | 124.2 | -178.6 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | C181 G185 R187 T203 D207 C208 L209 | C181-C205 HydrophobicContact CB-CB 3.77Å; G185-C205 VanDerWaalsContact O-CB 3.24Å; G185-C205 WeakPolarHBondContact O-CB 3.08Å; G185-C205 PolarHBondContact O-N 3.12Å; R187-C205 HydrophobicContact CG-CB 4.33Å; T203-C205 PolarHBondContact O-N 3.21Å; C205-D207 PolarHBondContact O-N 2.75Å; C205-D207 VanDerWaalsContact O-N 3.16Å; C205-C208 VanDerWaalsContact CB-SG 3.56Å; C205-C208 PolarHBondContact O-N 3.4Å; C205-L209 VanDerWaalsContact O-CA 3.26Å; C205-L209 WeakPolarHBondContact O-CA 3.29Å; C205-L209 PolarHBondContact O-N 3.2Å | ||
| 206 | K | 82.4 | Confident | 79 | Confident | 171 Ų | 171 | 77.4 Ų | 77.4 | 74% | 0.743 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -28.8 | -177.7 | -62.9 | -176.9 | 178.6 | -176.9 | 0 | 113.4 | A204 | A204-K206 PolarHBondContact O-N 3.49Š|
| 207 | D | 80.6 | Confident | 78.8 | Confident | 91 Ų | 91 | 80.7 Ų | 80.7 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -27.5 | -171.7 | -55.3 | -42.3 | 0 | 0 | 0 | 112.9 | A180 R187 C205 | A180-D207 HydrophobicContact CB-CB 3.96Å; A180-D207 WeakPolarHBondContact CB-OD2 3.4Å; R187-D207 IonicContact CZ-OD2 3.53Å; R187-D207 IonicContact NH1-OD2 2.84Å; R187-D207 IonicContact NH2-OD2 3.01Å; R187-D207 PolarHBondContact NH2-OD2 2.92Å; C205-D207 PolarHBondContact O-N 2.75Å; C205-D207 VanDerWaalsContact O-N 3.16Å |
| 208 | C | 75.2 | Confident | 78.5 | Confident | 10 Ų | 10 | 83.6 Ų | 83.6 | 7% | 0.068 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 2 | 175.6 | 65 | 0 | 0 | 0 | 0 | 114.5 | C178 C181 C205 G210 E211 G212 T213 V214 | C178-C208 HydrophobicContact CB-CB 3.74Å; C178-C208 VanDerWaalsContact SG-SG 3.64Å; C181-C208 PolarHBondContact SG-SG 2.99Å; C205-C208 VanDerWaalsContact CB-SG 3.56Å; C205-C208 PolarHBondContact O-N 3.4Å; C208-G210 PolarHBondContact O-N 3.26Å; C208-E211 WeakPolarHBondContact O-CB 3.25Å; C208-E211 WeakPolarHBondContact O-CG 3.41Å; C208-E211 PolarHBondContact O-N 3.04Å; C208-G212 PolarHBondContact SG-N 2.89Å; C208-T213 WeakPolarHBondContact CB-O 3.41Å; C208-V214 HydrophobicContact CB-CG2 3.91Å |
| 209 | L | 73.9 | Confident | 77.9 | Confident | 142 Ų | 142 | 82.6 Ų | 82.6 | 74% | 0.743 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 32.7 | -179.5 | -60.4 | 172.9 | 0 | 0 | 0 | 114.2 | C205 | C205-L209 VanDerWaalsContact O-CA 3.26Å; C205-L209 WeakPolarHBondContact O-CA 3.29Å; C205-L209 PolarHBondContact O-N 3.2Å |
| 210 | G | 74.5 | Confident | 77.4 | Confident | 41 Ų | 41 | 82.9 Ų | 82.9 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -11.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G185 C208 G212 | G185-G210 WeakPolarHBondContact O-CA 3.36Å; C208-G210 PolarHBondContact O-N 3.26Å; G210-G212 VanDerWaalsContact C-N 3.34Å; G210-G212 PolarHBondContact O-N 3.04Å |
| 211 | E | 72.6 | Confident | 76.9 | Confident | 90 Ų | 90 | 77.9 Ų | 77.9 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -78.1 | -14.6 | -174.2 | -59.6 | -160.9 | 157.2 | 0 | 0 | 114.4 | C208 T213 K228 | C208-E211 WeakPolarHBondContact O-CB 3.25Å; C208-E211 WeakPolarHBondContact O-CG 3.41Å; C208-E211 PolarHBondContact O-N 3.04Å; E211-T213 PolarHBondContact O-N 3.35Å; E211-K228 WeakPolarHBondContact OE1-CE 3.41Å; E211-K228 IonicContact OE1-NZ 2.89Å; E211-K228 PolarHBondContact OE1-NZ 2.89Å; E211-K228 WeakPolarHBondContact OE2-CE 3.29Å; E211-K228 IonicContact OE2-NZ 3.99Å; E211-K228 PolarHBondContact OE2-NZ 3.29Å |
| 212 | G | 73.9 | Confident | 76.8 | Confident | 5 Ų | 5 | 84.5 Ų | 84.5 | 5% | 0.052 | 43% | 0.432 | C | S | . | . | S | Bend | trans | 71.9 | -16 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | C178 G183 C208 G210 | C178-G212 VanDerWaalsContact CB-O 3.28Å; C178-G212 WeakPolarHBondContact CB-O 3.47Å; C178-G212 PolarHBondContact N-O 3.09Å; G183-G212 WeakPolarHBondContact CA-O 3.3Å; C208-G212 PolarHBondContact SG-N 2.89Å; G210-G212 VanDerWaalsContact C-N 3.34Å; G210-G212 PolarHBondContact O-N 3.04Å |
| 213 | T | 77.6 | Confident | 76.4 | Confident | 43 Ų | 43 | 82 Ų | 82 | 26% | 0.264 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 150.4 | 175.9 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | V176 C208 E211 | V176-T213 WeakPolarHBondContact O-CA 3.25Å; C208-T213 WeakPolarHBondContact CB-O 3.41Å; E211-T213 PolarHBondContact O-N 3.35Å |
| 214 | V | 75.2 | Confident | 75.9 | Confident | 41 Ų | 41 | 79.1 Ų | 79.1 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.9 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | V176 C178 C208 | V176-V214 PolarHBondContact N-O 3.5Å; V176-V214 PolarHBondContact O-N 2.77Å; C178-V214 HydrophobicContact CB-CG2 3.77Å; C208-V214 HydrophobicContact CB-CG2 3.91Å |
| 215 | I | 73.2 | Confident | 75.5 | Confident | 27 Ų | 27 | 83 Ų | 83 | 14% | 0.138 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.5 | 174.3 | -55.3 | 171.6 | 0 | 0 | 0 | 107.5 | Y175 D219 R220 | Y175-I215 HydrophobicContact CD1-CG1 4.34Å; Y175-I215 HydrophobicContact CE1-CD1 4.11Å; Y175-I215 HydrophobicContact CE1-CG1 4.05Å; I215-D219 HydrophobicContact CG2-CB 4.02Å; I215-R220 HydrophobicContact CB-CG 4.3Å; I215-R220 HydrophobicContact CG2-CG 4Å; I215-R220 PolarHBondContact O-NE 2.68Å |
| 216 | D | 72.9 | Confident | 75 | Confident | 85 Ų | 85 | 84 Ų | 84 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | trans | -55.7 | 141.3 | 173.1 | -78.1 | -37.6 | 0 | 0 | 0 | 110.4 | K218 D219 R220 | D216-K218 PolarHBondContact O-N 2.97Å; D216-D219 PolarHBondContact O-N 2.92Å; D216-R220 PolarHBondContact O-N 2.73Å | ||
| 217 | E | 74.3 | Confident | 74.5 | Confident | 155 Ų | 155 | 81.1 Ų | 81.1 | 72% | 0.724 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -30.8 | -173.9 | -66 | -176.5 | 165.1 | 0 | 0 | 113.5 | D219 | E217-D219 VanDerWaalsContact C-N 3.33Å; E217-D219 PolarHBondContact O-N 2.96Å |
| 218 | K | 69.6 | Low | 74.3 | Confident | 199 Ų | 199 | 77.4 Ų | 77.4 | 87% | 0.865 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -29.9 | 180 | -61.3 | 178.6 | -176.2 | 175.3 | 0 | 113.1 | D216 | D216-K218 PolarHBondContact O-N 2.97Š|
| 219 | D | 70.9 | Confident | 74.8 | Confident | 69 Ų | 69 | 80.3 Ų | 80.3 | 37% | 0.369 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -0.6 | -176.3 | -64.3 | -36.4 | 0 | 0 | 0 | 112.2 | S174 I215 D216 E217 C221 | S174-D219 WeakPolarHBondContact CB-OD2 3.4Å; I215-D219 HydrophobicContact CG2-CB 4.02Å; D216-D219 PolarHBondContact O-N 2.92Å; E217-D219 VanDerWaalsContact C-N 3.33Å; E217-D219 PolarHBondContact O-N 2.96Å; D219-C221 PolarHBondContact O-N 3.49Å |
| 220 | R | 71.7 | Confident | 75.6 | Confident | 101 Ų | 101 | 75.9 Ų | 75.9 | 38% | 0.381 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -64.7 | 131.9 | 172.2 | -67 | -176.7 | -169.4 | 174.1 | 6.3 | 109.7 | I215 D216 K222 | I215-R220 HydrophobicContact CB-CG 4.3Å; I215-R220 HydrophobicContact CG2-CG 4Å; I215-R220 PolarHBondContact O-NE 2.68Å; D216-R220 PolarHBondContact O-N 2.73Å; R220-K222 PolarHBondContact O-N 3.01Å |
| 221 | C | 73.5 | Confident | 76.4 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | trans | -59.3 | 127.3 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 110 | C156 D219 Q223 C224 Q225 | C156-C221 HydrophobicContact CB-CB 4.48Å; D219-C221 PolarHBondContact O-N 3.49Å; C221-Q223 PolarHBondContact O-N 3.01Å; C221-Q223 VanDerWaalsContact O-N 3.13Å; C221-C224 VanDerWaalsContact CB-SG 3.53Å; C221-C224 PolarHBondContact O-N 2.79Å; C221-Q225 VanDerWaalsContact O-CA 3.27Å; C221-Q225 WeakPolarHBondContact O-CA 3.47Å; C221-Q225 PolarHBondContact O-N 2.82Å | ||
| 222 | K | 80.2 | Confident | 77.3 | Confident | 199 Ų | 199 | 78.9 Ų | 78.9 | 87% | 0.865 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26.5 | -176.6 | -62.5 | -178.1 | -179.8 | -178.9 | 0 | 113.9 | R220 | R220-K222 PolarHBondContact O-N 3.01Š|
| 223 | Q | 77.2 | Confident | 78.2 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 43% | 0.425 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -40.9 | -178 | -72.8 | -173.1 | -33.8 | 0 | 0 | 113.8 | K155 C221 I230 | K155-Q223 VanDerWaalsContact CD-CD 3.44Å; K155-Q223 HydrophobicContact CD-CG 4Å; C221-Q223 PolarHBondContact O-N 3.01Å; C221-Q223 VanDerWaalsContact O-N 3.13Å; Q223-I230 HydrophobicContact CB-CD1 3.66Å |
| 224 | C | 77 | Confident | 78.8 | Confident | 7 Ų | 7 | 82.3 Ų | 82.3 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -6.8 | -179.3 | 68.5 | 0 | 0 | 0 | 0 | 113.5 | C153 C221 G226 N227 R229 I230 | C153-C224 HydrophobicContact CB-CB 3.93Å; C221-C224 VanDerWaalsContact CB-SG 3.53Å; C221-C224 PolarHBondContact O-N 2.79Å; C224-G226 PolarHBondContact O-N 2.93Å; C224-N227 VanDerWaalsContact O-CB 3.28Å; C224-N227 WeakPolarHBondContact O-CB 3.44Å; C224-N227 PolarHBondContact O-N 3.39Å; C224-R229 WeakPolarHBondContact CB-O 3.41Å; C224-I230 HydrophobicContact CB-CG1 4.14Å |
| 225 | Q | 76.6 | Confident | 79.6 | Confident | 144 Ų | 144 | 84.8 Ų | 84.8 | 67% | 0.673 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 26.7 | -177.2 | -60.1 | -177.1 | -6.8 | 0 | 0 | 113.9 | C221 | C221-Q225 VanDerWaalsContact O-CA 3.27Å; C221-Q225 WeakPolarHBondContact O-CA 3.47Å; C221-Q225 PolarHBondContact O-N 2.82Å |
| 226 | G | 71.6 | Confident | 80.5 | Confident | 22 Ų | 22 | 84 Ų | 84 | 23% | 0.227 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -8.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C224 K228 | C224-G226 PolarHBondContact O-N 2.93Å; G226-K228 PolarHBondContact O-N 3.35Å |
| 227 | N | 72.8 | Confident | 81.5 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -77 | -2.4 | -177.2 | -63.7 | -26.8 | 0 | 0 | 0 | 114.6 | C224 R229 | C224-N227 VanDerWaalsContact O-CB 3.28Å; C224-N227 WeakPolarHBondContact O-CB 3.44Å; C224-N227 PolarHBondContact O-N 3.39Å; N227-R229 PolarHBondContact O-N 2.81Å |
| 228 | K | 76.4 | Confident | 82.5 | Confident | 13 Ų | 13 | 77.5 Ų | 77.5 | 6% | 0.057 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 60.5 | -6.2 | -179.1 | -56 | 169.9 | -168.9 | 167.8 | 0 | 115.6 | C153 S160 E211 G226 P260 | C153-K228 WeakPolarHBondContact CB-O 3.45Å; C153-K228 PolarHBondContact N-O 3.45Å; S160-K228 VanDerWaalsContact CB-CE 3.47Å; S160-K228 PolarHBondContact OG-NZ 2.82Å; E211-K228 WeakPolarHBondContact OE1-CE 3.41Å; E211-K228 IonicContact OE1-NZ 2.89Å; E211-K228 PolarHBondContact OE1-NZ 2.89Å; E211-K228 WeakPolarHBondContact OE2-CE 3.29Å; E211-K228 IonicContact OE2-NZ 3.99Å; E211-K228 PolarHBondContact OE2-NZ 3.29Å; G226-K228 PolarHBondContact O-N 3.35Å; K228-P260 HydrophobicContact CB-CG 3.97Å; K228-P260 HydrophobicContact CD-CG 4.37Å |
| 229 | R | 86.1 | Confident | 83.6 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 27% | 0.272 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152.6 | -174.4 | -68.1 | 168.2 | -106.9 | -131.8 | 1.2 | 110.6 | V151 C224 N227 E259 | V151-R229 CarbonylContact O-C 3.6Å; V151-R229 VanDerWaalsContact O-CA 3.29Å; V151-R229 WeakPolarHBondContact O-CA 3.45Å; C224-R229 WeakPolarHBondContact CB-O 3.41Å; N227-R229 PolarHBondContact O-N 2.81Å; R229-E259 IonicContact CZ-OE1 3.4Å; R229-E259 VanDerWaalsContact NH1-CA 3.34Å; R229-E259 IonicContact NH1-OE1 2.77Å; R229-E259 PolarHBondContact NH1-OE1 3.26Å; R229-E259 IonicContact NH1-OE2 3.25Å |
| 230 | I | 89.4 | Confident | 84.7 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.8 | 173.5 | -60.7 | 173.3 | 0 | 0 | 0 | 107.5 | V151 C153 Q223 C224 | V151-I230 PolarHBondContact N-O 3.49Å; V151-I230 PolarHBondContact O-N 2.87Å; C153-I230 HydrophobicContact CB-CD1 3.92Å; C153-I230 HydrophobicContact CB-CG1 3.96Å; Q223-I230 HydrophobicContact CB-CD1 3.66Å; C224-I230 HydrophobicContact CB-CG1 4.14Å |
| 231 | T | 91.9 | Very high | 85.7 | Confident | 94 Ų | 94 | 70.1 Ų | 70.1 | 58% | 0.577 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 119.7 | 171 | -54.5 | 0 | 0 | 0 | 0 | 109.5 | N148 K149 | N148-T231 HydrophobicContact CB-CG2 3.91Å; K149-T231 CarbonylContact O-C 3.57Å; K149-T231 WeakPolarHBondContact O-CA 3.47Å |
| 232 | E | 91.2 | Very high | 86.6 | Confident | 99 Ų | 99 | 71.5 Ų | 71.5 | 46% | 0.463 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.5 | 177.1 | -171.2 | -179.7 | -166.2 | 0 | 0 | 109.5 | K149 V151 | K149-E232 WeakPolarHBondContact CG-O 3.35Å; K149-E232 PolarHBondContact N-O 3.4Å; K149-E232 PolarHBondContact O-N 2.79Å; V151-E232 HydrophobicContact CG2-CB 3.98Å; V151-E232 WeakPolarHBondContact CG2-OE2 3.44Å |
| 233 | A | 92.5 | Very high | 87.2 | Confident | 55 Ų | 55 | 62 Ų | 62 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q146 L147 | Q146-A233 HydrophobicContact CG-CB 4.29Å; L147-A233 CarbonylContact O-C 3.55Å; L147-A233 WeakPolarHBondContact O-CA 3.24Å |
| 234 | K | 91 | Very high | 87.9 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.2 | 175.6 | -178 | 168.7 | 177.7 | 175.6 | 0 | 110.2 | L147 K149 L236 E255 | L147-K234 PolarHBondContact N-O 3.42Å; L147-K234 PolarHBondContact O-N 3.05Å; K149-K234 HydrophobicContact CD-CB 4.4Å; K149-K234 HydrophobicContact CD-CD 4.43Å; K149-K234 HydrophobicContact CG-CB 4.5Å; K234-L236 HydrophobicContact CD-CD2 4.21Å; K234-L236 HydrophobicContact CG-CD2 4.29Å; K234-E255 WeakPolarHBondContact CD-OE2 3.4Å; K234-E255 WeakPolarHBondContact CE-OE2 3.34Å; K234-E255 IonicContact NZ-OE1 2.75Å; K234-E255 PolarHBondContact NZ-OE1 3.18Å; K234-E255 IonicContact NZ-OE2 3.98Å; K234-E255 PolarHBondContact NZ-OE2 3.07Å |
| 235 | L | 92 | Very high | 88.6 | Confident | 92 Ų | 92 | 62.8 Ų | 62.8 | 48% | 0.482 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.4 | 172.9 | -168.4 | 146.5 | 0 | 0 | 0 | 108.7 | K144 E237 | K144-L235 HydrophobicContact CB-CD1 4.31Å; K144-L235 HydrophobicContact CB-CD2 3.98Å; K144-L235 HydrophobicContact CB-CG 4.26Å; K144-L235 HydrophobicContact CD-CD1 4.46Å; K144-L235 HydrophobicContact CD-CD2 4.03Å; K144-L235 HydrophobicContact CG-CD2 4.02Å; L235-E237 HydrophobicContact CD2-CG 3.95Å |
| 236 | L | 91.8 | Very high | 89.2 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132.4 | 172.2 | -65.8 | -174.9 | 0 | 0 | 0 | 109.5 | L145 L147 K234 F252 E255 V267 | L145-L236 PolarHBondContact N-O 3.37Å; L145-L236 PolarHBondContact O-N 3.16Å; L147-L236 HydrophobicContact CD1-CD1 3.45Å; L147-L236 VanDerWaalsContact CD1-CD1 3.45Å; L147-L236 HydrophobicContact CD1-CG 4.25Å; L147-L236 HydrophobicContact CG-CD1 4.37Å; K234-L236 HydrophobicContact CD-CD2 4.21Å; K234-L236 HydrophobicContact CG-CD2 4.29Å; L236-F252 HydrophobicContact CD1-CD1 4.39Å; L236-F252 HydrophobicContact CD1-CD2 4.35Å; L236-F252 HydrophobicContact CD1-CG 4.17Å; L236-F252 HydrophobicContact CD2-CD1 4.5Å; L236-E255 HydrophobicContact CD2-CG 4.5Å; L236-V267 HydrophobicContact CD1-CG1 4.19Å |
| 237 | E | 94.3 | Very high | 90.2 | Very high | 102 Ų | 102 | 62.8 Ų | 62.8 | 48% | 0.477 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.3 | 173 | -59.4 | -166.7 | 152.2 | 0 | 0 | 108.9 | V142 K144 L235 | V142-E237 HydrophobicContact CG1-CB 4.48Å; K144-E237 WeakPolarHBondContact CE-OE1 3.31Å; K144-E237 HydrophobicContact CG-CG 4.39Å; K144-E237 IonicContact NZ-OE1 3.72Å; K144-E237 PolarHBondContact NZ-OE1 2.84Å; L235-E237 HydrophobicContact CD2-CG 3.95Å |
| 238 | V | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 110.7 | -176.6 | -170 | 0 | 0 | 0 | 0 | 108.3 | L130 A143 L145 I240 I250 F252 I269 | L130-V238 HydrophobicContact CD2-CB 4.35Å; L130-V238 HydrophobicContact CD2-CG1 4.02Å; A143-V238 HydrophobicContact CB-CB 4.48Å; A143-V238 PolarHBondContact N-O 3.24Å; A143-V238 PolarHBondContact O-N 2.77Å; L145-V238 HydrophobicContact CB-CG2 4.26Å; V238-I240 PolarHBondContact O-N 3.4Å; V238-I250 HydrophobicContact CG1-CD1 3.58Å; V238-F252 HydrophobicContact CG2-CE2 4.23Å; V238-F252 HydrophobicContact CG2-CZ 4.16Å; V238-I269 HydrophobicContact CB-CD1 4.33Å; V238-I269 HydrophobicContact CG1-CD1 4.1Å; V238-I269 HydrophobicContact CG1-CG2 4.48Å; V238-I269 HydrophobicContact CG2-CD1 3.27Å |
| 239 | N | 93.5 | Very high | 92 | Very high | 97 Ų | 97 | 67.5 Ų | 67.5 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 106.1 | 178.6 | -63.2 | -20.8 | 0 | 0 | 0 | 109.4 | ||
| 240 | I | 93.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 111.2 | 174.3 | -54.4 | 166.8 | 0 | 0 | 0 | 107 | L130 V132 L137 G140 K141 A143 V238 M244 L271 | L130-I240 HydrophobicContact CD2-CD1 4Å; L130-I240 HydrophobicContact CD2-CG1 4.46Å; V132-I240 HydrophobicContact CG1-CD1 3.95Å; V132-I240 HydrophobicContact CG2-CD1 3.64Å; L137-I240 HydrophobicContact CD2-CG2 3.86Å; G140-I240 VanDerWaalsContact CA-O 3.29Å; G140-I240 WeakPolarHBondContact CA-O 3.38Å; K141-I240 HydrophobicContact CB-CD1 4.41Å; K141-I240 PolarHBondContact N-O 2.95Å; K141-I240 VanDerWaalsContact O-CB 3.3Å; K141-I240 WeakPolarHBondContact O-CB 3.29Å; K141-I240 PolarHBondContact O-N 2.81Å; A143-I240 HydrophobicContact CB-CD1 4.32Å; V238-I240 PolarHBondContact O-N 3.4Å; I240-M244 HydrophobicContact CG2-SD 4.16Å; I240-L271 HydrophobicContact CG1-CD2 4.28Å; I240-L271 HydrophobicContact CG2-CD1 4.24Å |
| 241 | L | 93.1 | Very high | 92.6 | Very high | 112 Ų | 112 | 65.8 Ų | 65.8 | 59% | 0.586 | 35% | 0.349 | S | S | * | . | trans | -77 | 149.6 | 179.1 | -60.4 | 176.6 | 0 | 0 | 0 | 110.9 | G243 M244 | L241-G243 PolarHBondContact O-N 2.99Å; L241-M244 HydrophobicContact CB-CG 3.93Å; L241-M244 HydrophobicContact CB-SD 4.03Å; L241-M244 HydrophobicContact CG-SD 4.47Å; L241-M244 PolarHBondContact N-SD 3.18Å; L241-M244 VanDerWaalsContact O-CG 3.26Å; L241-M244 WeakPolarHBondContact O-CG 3.27Å; L241-M244 PolarHBondContact O-N 3.45Å | ||
| 242 | P | 92.4 | Very high | 92.7 | Very high | 60 Ų | 60 | 63.5 Ų | 63.5 | 39% | 0.39 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 131.2 | 171.6 | -25.3 | 35 | 0 | 0 | 0 | 111.1 | L137 P337 | L137-P242 WeakPolarHBondContact O-CA 3.48Å; P242-P337 HydrophobicContact CB-CB 4.31Å; P242-P337 HydrophobicContact CB-CG 3.84Å |
| 243 | G | 91.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -4.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L137 L241 R281 P337 P339 | L137-G243 PolarHBondContact O-N 3.41Å; L241-G243 PolarHBondContact O-N 2.99Å; G243-R281 PolarHBondContact O-NH2 2.89Å; G243-P337 WeakPolarHBondContact CA-O 3.23Å; G243-P339 WeakPolarHBondContact O-CG 3.36Å |
| 244 | M | 93 | Very high | 92.6 | Very high | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.069 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 143.2 | 175.1 | -75.3 | -172.1 | 81.4 | 0 | 0 | 111.7 | L137 I240 L241 E248 I250 L271 R281 | L137-M244 HydrophobicContact CD2-CB 4.33Å; I240-M244 HydrophobicContact CG2-SD 4.16Å; L241-M244 HydrophobicContact CB-CG 3.93Å; L241-M244 HydrophobicContact CB-SD 4.03Å; L241-M244 HydrophobicContact CG-SD 4.47Å; L241-M244 PolarHBondContact N-SD 3.18Å; L241-M244 VanDerWaalsContact O-CG 3.26Å; L241-M244 WeakPolarHBondContact O-CG 3.27Å; L241-M244 PolarHBondContact O-N 3.45Å; M244-E248 VanDerWaalsContact CA-OE2 3.29Å; M244-E248 WeakPolarHBondContact CA-OE2 3.48Å; M244-E248 WeakPolarHBondContact CB-OE2 3.39Å; M244-E248 HydrophobicContact CE-CB 4.22Å; M244-E248 VanDerWaalsContact CE-CD 3.41Å; M244-E248 HydrophobicContact CE-CG 3.76Å; M244-I250 HydrophobicContact CE-CD1 3.87Å; M244-I250 HydrophobicContact CE-CG1 3.78Å; M244-I250 HydrophobicContact SD-CD1 4.35Å; M244-L271 HydrophobicContact CB-CD1 3.95Å; M244-L271 HydrophobicContact CE-CD1 3.56Å; M244-L271 HydrophobicContact SD-CD1 3.88Å; M244-R281 PolarHBondContact O-NH1 3.36Å; M244-R281 PolarHBondContact O-NH2 2.89Å |
| 245 | Q | 91.5 | Very high | 92.6 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 156.8 | -174.6 | -66.4 | -175.7 | -8.6 | 0 | 0 | 112.1 | N247 E248 | Q245-N247 PolarHBondContact O-N 3.11Å; Q245-E248 PolarHBondContact N-OE2 3.36Å; Q245-E248 VanDerWaalsContact O-CB 3.25Å; Q245-E248 WeakPolarHBondContact O-CB 3.29Å; Q245-E248 PolarHBondContact O-N 3.2Å |
| 246 | S | 89.9 | Confident | 92.4 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 138.2 | 166.8 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | E248 | S246-E248 VanDerWaalsContact C-N 3.26Å; S246-E248 PolarHBondContact O-N 3.26Å |
| 247 | N | 92 | Very high | 92.4 | Very high | 111 Ų | 111 | 63.3 Ų | 63.3 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 10.1 | -174.6 | -51.6 | -52.7 | 0 | 0 | 0 | 116 | Q245 L271 | Q245-N247 PolarHBondContact O-N 3.11Å; N247-L271 VanDerWaalsContact CA-O 3.25Å; N247-L271 WeakPolarHBondContact CA-O 3.48Å; N247-L271 PolarHBondContact N-O 2.93Å |
| 248 | E | 92.8 | Very high | 92.1 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | trans | -65.9 | 142.1 | 170.3 | -167.2 | 167.9 | 177.1 | 0 | 0 | 110.8 | M244 Q245 S246 L271 | M244-E248 VanDerWaalsContact CA-OE2 3.29Å; M244-E248 WeakPolarHBondContact CA-OE2 3.48Å; M244-E248 WeakPolarHBondContact CB-OE2 3.39Å; M244-E248 HydrophobicContact CE-CB 4.22Å; M244-E248 VanDerWaalsContact CE-CD 3.41Å; M244-E248 HydrophobicContact CE-CG 3.76Å; Q245-E248 PolarHBondContact N-OE2 3.36Å; Q245-E248 VanDerWaalsContact O-CB 3.25Å; Q245-E248 WeakPolarHBondContact O-CB 3.29Å; Q245-E248 PolarHBondContact O-N 3.2Å; S246-E248 VanDerWaalsContact C-N 3.26Å; S246-E248 PolarHBondContact O-N 3.26Å; E248-L271 PolarHBondContact O-N 3.24Å | ||
| 249 | K | 94.1 | Very high | 91.6 | Very high | 146 Ų | 146 | 64.8 Ų | 64.8 | 64% | 0.635 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121 | -172.3 | -61.5 | -176.1 | -179.4 | 179.4 | 0 | 110.5 | V268 I269 V270 | K249-V268 HydrophobicContact CB-CG1 4Å; K249-V268 HydrophobicContact CD-CG1 4.05Å; K249-V268 HydrophobicContact CG-CG1 4.16Å; K249-I269 WeakPolarHBondContact CA-O 3.44Å; K249-V270 HydrophobicContact CG-CG2 4.33Å |
| 250 | I | 93.5 | Very high | 91 | Very high | 33 Ų | 33 | 62.1 Ų | 62.1 | 17% | 0.169 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.4 | 170.7 | -55.9 | 172.2 | 0 | 0 | 0 | 107.5 | V238 M244 F252 I269 L271 | V238-I250 HydrophobicContact CG1-CD1 3.58Å; M244-I250 HydrophobicContact CE-CD1 3.87Å; M244-I250 HydrophobicContact CE-CG1 3.78Å; M244-I250 HydrophobicContact SD-CD1 4.35Å; I250-F252 HydrophobicContact CG2-CD2 4.4Å; I250-F252 HydrophobicContact CG2-CE2 3.73Å; I250-F252 HydrophobicContact CG2-CZ 4.24Å; I250-I269 HydrophobicContact CB-CB 4.36Å; I250-I269 PolarHBondContact N-O 2.92Å; I250-I269 PolarHBondContact O-N 3.04Å; I250-L271 HydrophobicContact CD1-CD1 4.39Å; I250-L271 HydrophobicContact CD1-CD2 4.09Å; I250-L271 HydrophobicContact CD1-CG 4.38Å |
| 251 | V | 94.5 | Very high | 90.2 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 32% | 0.321 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.9 | -174.8 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | Y253 N266 V268 | V251-Y253 HydrophobicContact CG1-CD1 4.03Å; V251-Y253 HydrophobicContact CG1-CE1 3.83Å; V251-Y253 HydrophobicContact CG1-CG 4.49Å; V251-N266 HydrophobicContact CG1-CB 3.93Å; V251-V268 HydrophobicContact CG2-CG1 4.48Å; V251-V268 HydrophobicContact CG2-CG2 4.35Å |
| 252 | F | 93.6 | Very high | 89.7 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 20% | 0.202 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 109 | 169.1 | -68.2 | -93.5 | 0 | 0 | 0 | 109 | L236 V238 I250 E255 N266 V267 I269 | L236-F252 HydrophobicContact CD1-CD1 4.39Å; L236-F252 HydrophobicContact CD1-CD2 4.35Å; L236-F252 HydrophobicContact CD1-CG 4.17Å; L236-F252 HydrophobicContact CD2-CD1 4.5Å; V238-F252 HydrophobicContact CG2-CE2 4.23Å; V238-F252 HydrophobicContact CG2-CZ 4.16Å; I250-F252 HydrophobicContact CG2-CD2 4.4Å; I250-F252 HydrophobicContact CG2-CE2 3.73Å; I250-F252 HydrophobicContact CG2-CZ 4.24Å; F252-E255 HydrophobicContact CB-CB 4.06Å; F252-E255 HydrophobicContact CB-CG 3.99Å; F252-N266 WeakPolarHBondContact O-CA 3.45Å; F252-V267 HydrophobicContact CB-CB 4.18Å; F252-V267 PolarHBondContact N-O 3.27Å; F252-V267 PolarHBondContact O-N 3.47Å; F252-I269 HydrophobicContact CD2-CD1 3.91Å; F252-I269 HydrophobicContact CD2-CG1 4.12Å; F252-I269 HydrophobicContact CE2-CD1 3.44Å; F252-I269 VanDerWaalsContact CE2-CD1 3.44Å; F252-I269 HydrophobicContact CE2-CG1 4.03Å; F252-I269 HydrophobicContact CZ-CD1 4.39Å |
| 253 | Y | 92.4 | Very high | 89.4 | Confident | 185 Ų | 185 | 64.2 Ų | 64.2 | 73% | 0.725 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 129.3 | -173.5 | -62 | -77.9 | 0 | 0 | 0 | 112.2 | V251 E255 N266 | V251-Y253 HydrophobicContact CG1-CD1 4.03Å; V251-Y253 HydrophobicContact CG1-CE1 3.83Å; V251-Y253 HydrophobicContact CG1-CG 4.49Å; Y253-E255 PolarHBondContact O-N 3.19Å; Y253-N266 VanDerWaalsContact CA-OD1 3.31Å; Y253-N266 WeakPolarHBondContact CA-OD1 3.44Å |
| 254 | G | 89.2 | Confident | 89.4 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 32% | 0.32 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 10.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G265 N266 | G254-G265 CarbonylContact C-O 3.54Å; G254-G265 WeakPolarHBondContact CA-O 3.48Å; G254-N266 PolarHBondContact N-OD1 3.22Å; G254-N266 VanDerWaalsContact N-OD1 3.09Å |
| 255 | E | 90.6 | Very high | 89.3 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | trans | -90.4 | 4.1 | 179.1 | -68.9 | -64.3 | 170.1 | 0 | 0 | 113.9 | K149 K234 L236 F252 Y253 G265 V267 | K149-E255 IonicContact NZ-OE2 2.73Å; K234-E255 WeakPolarHBondContact CD-OE2 3.4Å; K234-E255 WeakPolarHBondContact CE-OE2 3.34Å; K234-E255 IonicContact NZ-OE1 2.75Å; K234-E255 PolarHBondContact NZ-OE1 3.18Å; K234-E255 IonicContact NZ-OE2 3.98Å; K234-E255 PolarHBondContact NZ-OE2 3.07Å; L236-E255 HydrophobicContact CD2-CG 4.5Å; F252-E255 HydrophobicContact CB-CB 4.06Å; F252-E255 HydrophobicContact CB-CG 3.99Å; Y253-E255 PolarHBondContact O-N 3.19Å; E255-G265 PolarHBondContact N-O 2.75Å; E255-V267 HydrophobicContact CB-CB 4.27Å; E255-V267 HydrophobicContact CB-CG2 4.01Å; E255-V267 VanDerWaalsContact O-CG2 3.29Å; E255-V267 WeakPolarHBondContact O-CG2 3.47Å | ||
| 256 | G | 89.6 | Confident | 89.4 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -72.7 | -175.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G265 | G256-G265 WeakPolarHBondContact CA-O 3.46Å; G256-G265 PolarHBondContact N-O 2.95Å |
| 257 | D | 90.8 | Very high | 89.6 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | trans | -61.9 | 135.6 | 175.6 | -84.7 | -10.4 | 0 | 0 | 0 | 111.2 | K150 | K150-D257 HydrophobicContact CB-CB 4.33Å; K150-D257 PolarHBondContact N-OD1 3.05Å; K150-D257 IonicContact NZ-OD2 2.68Å | ||
| 258 | Q | 88.4 | Confident | 89.7 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | trans | -97.2 | 135.2 | 178.5 | -58.7 | -179.2 | 3.6 | 0 | 0 | 110.8 | K150 I152 P264 | K150-Q258 WeakPolarHBondContact O-CB 3.27Å; K150-Q258 PolarHBondContact O-N 3.35Å; I152-Q258 HydrophobicContact CD1-CB 4.28Å; I152-Q258 HydrophobicContact CG1-CB 3.96Å; Q258-P264 HydrophobicContact CG-CB 4.18Å | ||
| 259 | E | 84.4 | Confident | 89.8 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 41% | 0.407 | 29% | 0.285 | S | S | . | . | trans | -124.6 | 140.5 | 172.3 | -50.3 | -151.1 | 115.4 | 0 | 0 | 110.8 | R229 G261 V262 | R229-E259 IonicContact CZ-OE1 3.4Å; R229-E259 VanDerWaalsContact NH1-CA 3.34Å; R229-E259 IonicContact NH1-OE1 2.77Å; R229-E259 PolarHBondContact NH1-OE1 3.26Å; R229-E259 IonicContact NH1-OE2 3.25Å; E259-G261 PolarHBondContact O-N 3.27Å; E259-G261 VanDerWaalsContact O-N 3.12Å; E259-V262 HydrophobicContact CB-CB 3.9Å; E259-V262 HydrophobicContact CB-CG2 3.89Å; E259-V262 PolarHBondContact O-N 2.91Å; E259-V262 VanDerWaalsContact O-N 3.14Å | ||
| 260 | P | 78.9 | Confident | 89.9 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 27% | 0.266 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 118.5 | 176.6 | -22.9 | 33.4 | 0 | 0 | 0 | 111.6 | G158 K228 | G158-P260 VanDerWaalsContact O-CB 3.32Å; G158-P260 WeakPolarHBondContact O-CB 3.44Å; K228-P260 HydrophobicContact CB-CG 3.97Å; K228-P260 HydrophobicContact CD-CG 4.37Å |
| 261 | G | 76.9 | Confident | 89.9 | Confident | 89 Ų | 89 | 44.7 Ų | 44.7 | 92% | 0.918 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | -5.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | E259 | E259-G261 PolarHBondContact O-N 3.27Å; E259-G261 VanDerWaalsContact O-N 3.12Å |
| 262 | V | 84.1 | Confident | 89.9 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -112.4 | 141.7 | -178.6 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | E121 E259 | E121-V262 HydrophobicContact CB-CG1 4.17Å; E121-V262 HydrophobicContact CB-CG2 4.43Å; E121-V262 WeakPolarHBondContact O-CG1 3.37Å; E259-V262 HydrophobicContact CB-CB 3.9Å; E259-V262 HydrophobicContact CB-CG2 3.89Å; E259-V262 PolarHBondContact O-N 2.91Å; E259-V262 VanDerWaalsContact O-N 3.14Å |
| 263 | Q | 86.6 | Confident | 89.8 | Confident | 104 Ų | 104 | 44.9 Ų | 44.9 | 49% | 0.486 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -73.5 | 132 | 173.9 | -176.9 | 175.5 | 11.6 | 0 | 0 | 109.1 | E121 R122 G123 | E121-Q263 PolarHBondContact O-N 2.67Å; R122-Q263 CarbonylContact C-O 3.46Å; R122-Q263 WeakPolarHBondContact CA-O 3.28Å; R122-Q263 HydrophobicContact CG-CB 4.32Å; G123-Q263 PolarHBondContact N-O 2.67Å |
| 264 | P | 90.4 | Very high | 89.9 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | trans | -60 | 143.8 | -179.1 | 23.7 | -33.5 | 0 | 0 | 0 | 112.1 | Q258 | Q258-P264 HydrophobicContact CG-CB 4.18Š| ||
| 265 | G | 91 | Very high | 90 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | trans | -71.6 | -178.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | G123 G254 E255 G256 | G123-G265 WeakPolarHBondContact O-CA 3.35Å; G254-G265 CarbonylContact C-O 3.54Å; G254-G265 WeakPolarHBondContact CA-O 3.48Å; E255-G265 PolarHBondContact N-O 2.75Å; G256-G265 WeakPolarHBondContact CA-O 3.46Å; G256-G265 PolarHBondContact N-O 2.95Å | ||
| 266 | N | 94.2 | Very high | 90.1 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 20% | 0.198 | 27% | 0.273 | C | S | . | . | trans | -99.1 | 155.7 | 176.3 | -51.4 | -56 | 0 | 0 | 0 | 111 | D125 T126 V251 F252 Y253 G254 | D125-N266 CarbonylContact C-O 3.55Å; D125-N266 VanDerWaalsContact CA-O 3.27Å; D125-N266 WeakPolarHBondContact CA-O 3.32Å; D125-N266 WeakPolarHBondContact OD1-CB 2.98Å; D125-N266 PolarHBondContact OD1-N 2.91Å; D125-N266 PolarHBondContact OD1-ND2 2.94Å; T126-N266 PolarHBondContact N-O 3.41Å; V251-N266 HydrophobicContact CG1-CB 3.93Å; F252-N266 WeakPolarHBondContact O-CA 3.45Å; Y253-N266 VanDerWaalsContact CA-OD1 3.31Å; Y253-N266 WeakPolarHBondContact CA-OD1 3.44Å; G254-N266 PolarHBondContact N-OD1 3.22Å; G254-N266 VanDerWaalsContact N-OD1 3.09Å | ||
| 267 | V | 93.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 118.6 | 166.2 | 166.4 | 0 | 0 | 0 | 0 | 108.1 | T126 L147 L236 F252 E255 I269 | T126-V267 WeakPolarHBondContact O-CA 3.38Å; L147-V267 HydrophobicContact CD1-CB 4.47Å; L147-V267 HydrophobicContact CD1-CG1 3.61Å; L147-V267 HydrophobicContact CD1-CG2 4.13Å; L236-V267 HydrophobicContact CD1-CG1 4.19Å; F252-V267 HydrophobicContact CB-CB 4.18Å; F252-V267 PolarHBondContact N-O 3.27Å; F252-V267 PolarHBondContact O-N 3.47Å; E255-V267 HydrophobicContact CB-CB 4.27Å; E255-V267 HydrophobicContact CB-CG2 4.01Å; E255-V267 VanDerWaalsContact O-CG2 3.29Å; E255-V267 WeakPolarHBondContact O-CG2 3.47Å; V267-I269 HydrophobicContact CG1-CG1 4.08Å |
| 268 | V | 94.8 | Very high | 90.2 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.085 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 110.3 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | D125 T126 V127 H128 K249 V251 V270 | D125-V268 HydrophobicContact CB-CG2 4.43Å; T126-V268 PolarHBondContact O-N 3.19Å; V127-V268 CarbonylContact C-O 3.52Å; V127-V268 WeakPolarHBondContact CA-O 3.46Å; V127-V268 HydrophobicContact CG2-CB 4.45Å; H128-V268 PolarHBondContact N-O 2.74Å; K249-V268 HydrophobicContact CB-CG1 4Å; K249-V268 HydrophobicContact CD-CG1 4.05Å; K249-V268 HydrophobicContact CG-CG1 4.16Å; V251-V268 HydrophobicContact CG2-CG1 4.48Å; V251-V268 HydrophobicContact CG2-CG2 4.35Å; V268-V270 HydrophobicContact CG1-CG2 4.33Å |
| 269 | I | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.7 | 175.9 | -53.1 | -171.4 | 0 | 0 | 0 | 108.5 | H128 L130 L145 V238 K249 I250 F252 V267 | H128-I269 VanDerWaalsContact O-CA 3.3Å; H128-I269 WeakPolarHBondContact O-CA 3.09Å; L130-I269 HydrophobicContact CB-CG2 3.56Å; L130-I269 HydrophobicContact CD2-CG2 4.15Å; L130-I269 HydrophobicContact CG-CG2 4.49Å; L145-I269 HydrophobicContact CD2-CD1 3.83Å; V238-I269 HydrophobicContact CB-CD1 4.33Å; V238-I269 HydrophobicContact CG1-CD1 4.1Å; V238-I269 HydrophobicContact CG1-CG2 4.48Å; V238-I269 HydrophobicContact CG2-CD1 3.27Å; K249-I269 WeakPolarHBondContact CA-O 3.44Å; I250-I269 HydrophobicContact CB-CB 4.36Å; I250-I269 PolarHBondContact N-O 2.92Å; I250-I269 PolarHBondContact O-N 3.04Å; F252-I269 HydrophobicContact CD2-CD1 3.91Å; F252-I269 HydrophobicContact CD2-CG1 4.12Å; F252-I269 HydrophobicContact CE2-CD1 3.44Å; F252-I269 VanDerWaalsContact CE2-CD1 3.44Å; F252-I269 HydrophobicContact CE2-CG1 4.03Å; F252-I269 HydrophobicContact CZ-CD1 4.39Å; V267-I269 HydrophobicContact CG1-CG1 4.08Å |
| 270 | V | 95.5 | Very high | 90.9 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 13% | 0.127 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.7 | 178.5 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | V127 H128 P129 L130 K249 V268 Q272 | V127-V270 HydrophobicContact CG1-CG2 3.64Å; H128-V270 PolarHBondContact O-N 3.23Å; P129-V270 WeakPolarHBondContact CA-O 3.34Å; L130-V270 PolarHBondContact N-O 2.82Å; K249-V270 HydrophobicContact CG-CG2 4.33Å; V268-V270 HydrophobicContact CG1-CG2 4.33Å; V270-Q272 PolarHBondContact O-N 2.79Å |
| 271 | L | 94.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.8 | 177 | -59.9 | -174.1 | 0 | 0 | 0 | 109.9 | L130 V132 L137 I240 M244 N247 E248 I250 | L130-L271 HydrophobicContact CB-CD2 4.29Å; L130-L271 HydrophobicContact CD2-CD2 3.95Å; L130-L271 HydrophobicContact CG-CD2 4.47Å; V132-L271 HydrophobicContact CG2-CD2 4.05Å; L137-L271 HydrophobicContact CD2-CD1 4.46Å; I240-L271 HydrophobicContact CG1-CD2 4.28Å; I240-L271 HydrophobicContact CG2-CD1 4.24Å; M244-L271 HydrophobicContact CB-CD1 3.95Å; M244-L271 HydrophobicContact CE-CD1 3.56Å; M244-L271 HydrophobicContact SD-CD1 3.88Å; N247-L271 VanDerWaalsContact CA-O 3.25Å; N247-L271 WeakPolarHBondContact CA-O 3.48Å; N247-L271 PolarHBondContact N-O 2.93Å; E248-L271 PolarHBondContact O-N 3.24Å; I250-L271 HydrophobicContact CD1-CD1 4.39Å; I250-L271 HydrophobicContact CD1-CD2 4.09Å; I250-L271 HydrophobicContact CD1-CG 4.38Å |
| 272 | Q | 94.1 | Very high | 92.3 | Very high | 77 Ų | 77 | 56.3 Ų | 56.3 | 36% | 0.36 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 105.6 | 173.4 | -68.8 | -174.1 | -17.3 | 0 | 0 | 108.4 | P129 L130 R131 V132 V270 K274 | P129-Q272 VanDerWaalsContact CB-CD 3.48Å; P129-Q272 HydrophobicContact CB-CG 4.16Å; L130-Q272 PolarHBondContact O-N 2.89Å; R131-Q272 CarbonylContact C-O 3.57Å; R131-Q272 WeakPolarHBondContact CA-O 3.26Å; V132-Q272 PolarHBondContact N-O 3.1Å; V270-Q272 PolarHBondContact O-N 2.79Å; Q272-K274 PolarHBondContact O-N 3.21Å |
| 273 | G | 92 | Very high | 92.6 | Very high | 25 Ų | 25 | 62.2 Ų | 62.2 | 26% | 0.258 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 128.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | V132 | V132-G273 CarbonylContact O-C 3.58Å; V132-G273 WeakPolarHBondContact O-CA 3.43Å |
| 274 | K | 92.8 | Very high | 92.9 | Very high | 108 Ų | 108 | 59.5 Ų | 59.5 | 47% | 0.47 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 142.8 | 168 | -68.3 | -179.7 | 179.5 | 179.9 | 0 | 109.2 | R131 V132 T133 Q272 | R131-K274 HydrophobicContact CB-CG 4.41Å; V132-K274 PolarHBondContact O-N 3.42Å; T133-K274 HydrophobicContact CG2-CD 4.12Å; Q272-K274 PolarHBondContact O-N 3.21Å |
| 275 | D | 92 | Very high | 93.1 | Very high | 166 Ų | 166 | 59.3 Ų | 59.3 | 89% | 0.888 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 139.9 | 170 | -57.3 | -31.9 | 0 | 0 | 0 | 109.6 | ||
| 276 | H | 92.4 | Very high | 93.2 | Very high | 48 Ų | 48 | 59.3 Ų | 59.3 | 22% | 0.222 | 30% | 0.304 | C | S | . | . | trans | -109.8 | 143.5 | 178.6 | -174 | -72.3 | 0 | 0 | 0 | 109.1 | L134 V278 F279 | L134-H276 HydrophobicContact CB-CB 4.37Å; L134-H276 HydrophobicContact CD1-CB 3.43Å; L134-H276 VanDerWaalsContact CD1-CB 3.43Å; L134-H276 HydrophobicContact CG-CB 3.97Å; H276-V278 PolarHBondContact ND1-N 3.48Å; H276-V278 PolarHBondContact O-N 2.91Å; H276-F279 WeakPolarHBondContact CB-O 3.47Å; H276-F279 AromaticContact CE1-CD2 3.44Å; H276-F279 VanDerWaalsContact CE1-CD2 3.44Å; H276-F279 WeakPolarHBondContact CE1-CD2 3.49Å; H276-F279 AromaticContact ND1-CD2 3.74Å; H276-F279 PolarHBondContact ND1-N 2.86Å | ||
| 277 | E | 89.9 | Confident | 93.3 | Very high | 200 Ų | 200 | 59.5 Ų | 59.5 | 94% | 0.935 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -67.2 | -38 | -172.8 | -61.1 | -179.8 | 178 | 0 | 0 | 112.5 | ||
| 278 | V | 91.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 59.6 Ų | 59.6 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -98.3 | -36.3 | -175.2 | -175.1 | 0 | 0 | 0 | 0 | 114.3 | H276 M288 | H276-V278 PolarHBondContact ND1-N 3.48Å; H276-V278 PolarHBondContact O-N 2.91Å; V278-M288 HydrophobicContact CG1-CB 4.49Å; V278-M288 HydrophobicContact CG1-CE 4.23Å; V278-M288 WeakPolarHBondContact O-CB 3.37Å |
| 279 | F | 94.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.8 | -166.8 | -64.1 | -67.9 | 0 | 0 | 0 | 110.3 | L134 H276 H287 M288 R306 L308 L347 | L134-F279 HydrophobicContact CD1-CB 4.21Å; L134-F279 WeakPolarHBondContact CD1-O 3.26Å; H276-F279 WeakPolarHBondContact CB-O 3.47Å; H276-F279 AromaticContact CE1-CD2 3.44Å; H276-F279 VanDerWaalsContact CE1-CD2 3.44Å; H276-F279 WeakPolarHBondContact CE1-CD2 3.49Å; H276-F279 AromaticContact ND1-CD2 3.74Å; H276-F279 PolarHBondContact ND1-N 2.86Å; F279-H287 CarbonylContact C-O 3.57Å; F279-H287 WeakPolarHBondContact CA-O 3.29Å; F279-M288 HydrophobicContact CD1-CB 3.93Å; F279-M288 HydrophobicContact CE1-CB 4.1Å; F279-M288 HydrophobicContact CE1-CG 4.45Å; F279-M288 HydrophobicContact CE1-SD 3.86Å; F279-R306 WeakPolarHBondContact CZ-O 3.47Å; F279-L308 HydrophobicContact CD2-CD2 3.63Å; F279-L308 HydrophobicContact CD2-CG 4.08Å; F279-L308 HydrophobicContact CE2-CD2 4.09Å; F279-L308 HydrophobicContact CE2-CG 4.29Å; F279-L308 HydrophobicContact CG-CD2 4.47Å; F279-L347 HydrophobicContact CD1-CD1 4.14Å; F279-L347 HydrophobicContact CE1-CD1 3.97Å |
| 280 | V | 94.2 | Very high | 93.2 | Very high | 99 Ų | 99 | 69.9 Ų | 69.9 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119.2 | 172.6 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | H287 | V280-H287 HydrophobicContact CB-CB 4.36Å; V280-H287 PolarHBondContact N-O 3.07Å; V280-H287 PolarHBondContact O-N 3.18Å |
| 281 | R | 93.4 | Very high | 93 | Very high | 44 Ų | 44 | 72.5 Ų | 72.5 | 17% | 0.166 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125.2 | 180 | -179.7 | 178.9 | 176.9 | 176 | 2.4 | 110.8 | L134 G243 M244 K283 L286 M336 | L134-R281 HydrophobicContact CD1-CB 4.45Å; L134-R281 HydrophobicContact CD2-CB 4.02Å; G243-R281 PolarHBondContact O-NH2 2.89Å; M244-R281 PolarHBondContact O-NH1 3.36Å; M244-R281 PolarHBondContact O-NH2 2.89Å; R281-K283 PolarHBondContact NE-O 2.87Å; R281-K283 PolarHBondContact NH2-O 3.42Å; R281-L286 HydrophobicContact CB-CD2 4.11Å; R281-L286 HydrophobicContact CG-CD2 4.41Å; R281-M336 HydrophobicContact CG-CG 4.06Å |
| 282 | D | 92.5 | Very high | 92.8 | Very high | 80 Ų | 80 | 72.9 Ų | 72.9 | 43% | 0.428 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 99.6 | 164.1 | -174.5 | 12.7 | 0 | 0 | 0 | 109.6 | N284 D285 | D282-N284 PolarHBondContact O-N 3.13Å; D282-D285 CarbonylContact C-O 3.56Å; D282-D285 PolarHBondContact N-O 2.79Å; D282-D285 PolarHBondContact O-N 3.1Å |
| 283 | K | 90.7 | Very high | 92.5 | Very high | 152 Ų | 152 | 70.4 Ų | 70.4 | 66% | 0.661 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -99.7 | -176.3 | -59.3 | 169.3 | -172.7 | 165.1 | 0 | 112.9 | R281 | R281-K283 PolarHBondContact NE-O 2.87Å; R281-K283 PolarHBondContact NH2-O 3.42Å |
| 284 | N | 91.8 | Very high | 92.2 | Very high | 47 Ų | 47 | 71.2 Ų | 71.2 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -12.8 | -179.9 | -60.8 | -20.2 | 0 | 0 | 0 | 111.7 | D282 M336 V338 G345 | D282-N284 PolarHBondContact O-N 3.13Å; N284-M336 WeakPolarHBondContact O-CA 3.07Å; N284-M336 WeakPolarHBondContact O-CB 3.33Å; N284-M336 PolarHBondContact O-N 3.04Å; N284-V338 HydrophobicContact CB-CG2 4.18Å; N284-G345 WeakPolarHBondContact O-CA 3.38Å |
| 285 | D | 94 | Very high | 91.8 | Very high | 41 Ų | 41 | 66.9 Ų | 66.9 | 22% | 0.219 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 157.6 | -179.2 | -58.6 | -36.6 | 0 | 0 | 0 | 110.3 | D282 G345 N346 F348 | D282-D285 CarbonylContact C-O 3.56Å; D282-D285 PolarHBondContact N-O 2.79Å; D282-D285 PolarHBondContact O-N 3.1Å; D285-G345 WeakPolarHBondContact OD1-CA 3.43Å; D285-N346 CarbonylContact C-O 3.21Å; D285-N346 VanDerWaalsContact CA-O 3.27Å; D285-N346 WeakPolarHBondContact CA-O 3.35Å; D285-N346 WeakPolarHBondContact CB-O 3.26Å; D285-N346 PolarHBondContact OD1-N 3.13Å; D285-F348 HydrophobicContact CB-CD2 3.91Å; D285-F348 HydrophobicContact CB-CE2 3.64Å |
| 286 | L | 94.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139 | 176.9 | -69.2 | 173.9 | 0 | 0 | 0 | 108.9 | R281 L308 M336 N346 L347 F348 | R281-L286 HydrophobicContact CB-CD2 4.11Å; R281-L286 HydrophobicContact CG-CD2 4.41Å; L286-L308 HydrophobicContact CD1-CD1 3.65Å; L286-L308 HydrophobicContact CD1-CG 4.5Å; L286-L308 HydrophobicContact CD2-CD1 4.31Å; L286-M336 HydrophobicContact CD1-CG 4.43Å; L286-M336 HydrophobicContact CD1-SD 4.33Å; L286-M336 HydrophobicContact CD2-CG 3.74Å; L286-M336 HydrophobicContact CD2-SD 3.92Å; L286-M336 HydrophobicContact CG-CG 3.99Å; L286-M336 HydrophobicContact CG-SD 4.4Å; L286-N346 PolarHBondContact N-O 3.45Å; L286-L347 HydrophobicContact CB-CD1 3.7Å; L286-L347 CarbonylContact O-C 3.5Å; L286-L347 WeakPolarHBondContact O-CA 3.35Å; L286-F348 PolarHBondContact O-N 3.21Å |
| 287 | H | 95 | Very high | 91.3 | Very high | 40 Ų | 40 | 58 Ų | 58 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.4 | 171.2 | -66.5 | -86.5 | 0 | 0 | 0 | 109.6 | F279 V280 F348 H350 | F279-H287 CarbonylContact C-O 3.57Å; F279-H287 WeakPolarHBondContact CA-O 3.29Å; V280-H287 HydrophobicContact CB-CB 4.36Å; V280-H287 PolarHBondContact N-O 3.07Å; V280-H287 PolarHBondContact O-N 3.18Å; H287-F348 CarbonylContact C-O 3.6Å; H287-F348 VanDerWaalsContact CA-O 3.28Å; H287-F348 WeakPolarHBondContact CA-O 3.46Å; H287-F348 AromaticContact CE1-CD2 3.45Å; H287-F348 VanDerWaalsContact CE1-CD2 3.45Å; H287-F348 WeakPolarHBondContact CE1-CD2 3.4Å; H287-F348 AromaticContact CE1-CG 3.66Å; H287-F348 VanDerWaalsContact ND1-CB 3.29Å; H287-F348 WeakPolarHBondContact ND1-CB 3.03Å; H287-F348 AromaticContact ND1-CD2 3.96Å; H287-F348 AromaticContact ND1-CG 3.87Å; H287-F348 AromaticContact NE2-CD2 3.85Å; H287-H350 AromaticContact CG-NE2 3.83Å; H287-H350 AromaticContact ND1-CD2 3.93Å; H287-H350 AromaticContact ND1-NE2 3.12Å; H287-H350 PolarHBondContact ND1-NE2 3.23Å; H287-H350 VanDerWaalsContact ND1-NE2 3.12Å |
| 288 | M | 94.4 | Very high | 91.1 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 153.7 | 169.8 | 64.9 | 177.5 | -65.3 | 0 | 0 | 110.3 | V278 F279 Y290 I305 L347 F348 I349 H350 | V278-M288 HydrophobicContact CG1-CB 4.49Å; V278-M288 HydrophobicContact CG1-CE 4.23Å; V278-M288 WeakPolarHBondContact O-CB 3.37Å; F279-M288 HydrophobicContact CD1-CB 3.93Å; F279-M288 HydrophobicContact CE1-CB 4.1Å; F279-M288 HydrophobicContact CE1-CG 4.45Å; F279-M288 HydrophobicContact CE1-SD 3.86Å; M288-Y290 HydrophobicContact CE-CD2 4.15Å; M288-I305 HydrophobicContact CE-CD1 3.78Å; M288-I305 HydrophobicContact CE-CG1 4.3Å; M288-I305 HydrophobicContact CE-CG2 3.87Å; M288-I305 HydrophobicContact SD-CD1 3.89Å; M288-I305 HydrophobicContact SD-CG2 4.03Å; M288-L347 HydrophobicContact CG-CD1 4.11Å; M288-L347 HydrophobicContact SD-CD1 4.17Å; M288-L347 HydrophobicContact SD-CD2 4.14Å; M288-L347 HydrophobicContact SD-CG 4.48Å; M288-F348 PolarHBondContact N-O 3.21Å; M288-I349 HydrophobicContact CG-CB 4.23Å; M288-I349 HydrophobicContact CG-CG1 3.85Å; M288-I349 HydrophobicContact CG-CG2 4.14Å; M288-I349 HydrophobicContact SD-CD1 4.17Å; M288-I349 HydrophobicContact SD-CG1 3.97Å; M288-H350 PolarHBondContact O-N 3.17Å |
| 289 | K | 94 | Very high | 90.6 | Very high | 170 Ų | 170 | 50.2 Ų | 50.2 | 74% | 0.739 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 133.2 | 170.7 | -65.6 | -175.7 | 176.6 | -171.6 | 0 | 108.9 | H350 | K289-H350 WeakPolarHBondContact CA-O 3.46Å; K289-H350 HydrophobicContact CG-CB 4.33Å |
| 290 | Y | 92.9 | Very high | 90.2 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 124.4 | 179.8 | -167.9 | -96.1 | 0 | 0 | 0 | 110.4 | M288 I292 F301 T303 I305 H350 F351 E352 | M288-Y290 HydrophobicContact CE-CD2 4.15Å; Y290-I292 HydrophobicContact CD1-CG2 3.61Å; Y290-I292 HydrophobicContact CE1-CG2 3.54Å; Y290-F301 HydrophobicContact CE1-CE2 4.13Å; Y290-T303 HydrophobicContact CE1-CG2 3.99Å; Y290-T303 HydrophobicContact CE2-CG2 4.24Å; Y290-T303 WeakPolarHBondContact OH-CB 3.44Å; Y290-T303 VanDerWaalsContact OH-CG2 3.29Å; Y290-T303 WeakPolarHBondContact OH-CG2 3.5Å; Y290-T303 PolarHBondContact OH-OG1 2.81Å; Y290-I305 HydrophobicContact CD2-CD1 4.44Å; Y290-I305 HydrophobicContact CE2-CG1 4.43Å; Y290-H350 PolarHBondContact N-O 3.03Å; Y290-F351 HydrophobicContact CD1-CD1 4.01Å; Y290-F351 AromaticContact CD1-CE1 3.69Å; Y290-F351 HydrophobicContact CD1-CE1 3.69Å; Y290-F351 HydrophobicContact CG-CE1 4.37Å; Y290-F351 WeakPolarHBondContact O-CA 3.35Å; Y290-E352 PolarHBondContact O-N 3.42Å |
| 291 | S | 91.5 | Very high | 89.8 | Confident | 76 Ų | 76 | 46.4 Ų | 46.4 | 53% | 0.531 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.9 | -179.9 | 50.3 | 0 | 0 | 0 | 0 | 111.3 | E352 | S291-E352 CarbonylContact C-O 3.59Å; S291-E352 VanDerWaalsContact CA-O 3.27Å; S291-E352 WeakPolarHBondContact CA-O 3.48Å |
| 292 | I | 90.1 | Very high | 89.5 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 149.3 | 177.3 | 56.2 | 175.4 | 0 | 0 | 0 | 110.7 | Y290 A297 F301 I323 F351 E352 V353 V354 | Y290-I292 HydrophobicContact CD1-CG2 3.61Å; Y290-I292 HydrophobicContact CE1-CG2 3.54Å; I292-A297 HydrophobicContact CD1-CB 3.62Å; I292-A297 HydrophobicContact CG1-CB 4.25Å; I292-F301 HydrophobicContact CG2-CE1 4.42Å; I292-F301 HydrophobicContact CG2-CE2 4.4Å; I292-F301 HydrophobicContact CG2-CZ 4.36Å; I292-I323 HydrophobicContact CD1-CB 3.93Å; I292-I323 HydrophobicContact CD1-CD1 3.79Å; I292-I323 HydrophobicContact CD1-CG1 4.46Å; I292-I323 HydrophobicContact CD1-CG2 3.7Å; I292-F351 HydrophobicContact CD1-CB 4.28Å; I292-F351 HydrophobicContact CD1-CD1 3.93Å; I292-F351 HydrophobicContact CD1-CG 4.26Å; I292-F351 HydrophobicContact CG1-CD1 4.24Å; I292-F351 HydrophobicContact CG2-CD1 3.88Å; I292-F351 HydrophobicContact CG2-CE1 4.07Å; I292-E352 PolarHBondContact N-O 3.33Å; I292-V353 HydrophobicContact CD1-CG2 4.22Å; I292-V353 HydrophobicContact CG1-CG2 4.08Å; I292-V353 CarbonylContact O-C 3.54Å; I292-V353 WeakPolarHBondContact O-CA 3.24Å; I292-V354 PolarHBondContact O-N 2.88Å |
| 293 | G | 87.7 | Confident | 89.3 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 27% | 0.268 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 154.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S295 D296 A297 | G293-S295 VanDerWaalsContact C-N 3.25Å; G293-S295 PolarHBondContact O-N 3.01Å; G293-D296 WeakPolarHBondContact O-CB 3.24Å; G293-D296 PolarHBondContact O-N 2.96Å; G293-A297 PolarHBondContact O-N 3.1Å |
| 294 | L | 86.2 | Confident | 89.3 | Confident | 42 Ų | 42 | 40.2 Ų | 40.2 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.2 | -37.5 | 176.3 | -177.4 | 66.5 | 0 | 0 | 0 | 113.3 | D296 L298 V353 V354 F355 | L294-D296 VanDerWaalsContact C-N 3.26Å; L294-D296 PolarHBondContact O-N 2.8Å; L294-L298 HydrophobicContact CD1-CD1 4.18Å; L294-L298 HydrophobicContact CD1-CG 4.43Å; L294-L298 HydrophobicContact CG-CD1 4.16Å; L294-L298 WeakPolarHBondContact O-CG 2.95Å; L294-L298 PolarHBondContact O-N 3.05Å; L294-V353 HydrophobicContact CB-CG1 4.34Å; L294-V353 HydrophobicContact CD1-CG1 4.04Å; L294-V354 PolarHBondContact N-O 3.41Å; L294-F355 HydrophobicContact CD1-CD1 4.49Å; L294-F355 HydrophobicContact CD1-CE1 3.82Å; L294-F355 HydrophobicContact CD1-CZ 3.95Å; L294-F355 HydrophobicContact CD2-CD1 3.81Å; L294-F355 HydrophobicContact CD2-CE1 3.66Å; L294-F355 HydrophobicContact CG-CE1 4.27Å |
| 295 | S | 84.5 | Confident | 89.2 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.8 | -43.6 | 174.4 | 49.8 | 0 | 0 | 0 | 0 | 112 | G293 L298 C299 P386 | G293-S295 VanDerWaalsContact C-N 3.25Å; G293-S295 PolarHBondContact O-N 3.01Å; S295-L298 PolarHBondContact O-N 3.35Å; S295-C299 VanDerWaalsContact O-CB 3.23Å; S295-C299 WeakPolarHBondContact O-CB 3.38Å; S295-C299 PolarHBondContact O-N 2.75Å; S295-C299 PolarHBondContact O-SG 3.17Å; S295-P386 WeakPolarHBondContact CB-O 3.5Å |
| 296 | D | 86.1 | Confident | 89 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 14% | 0.139 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -79.4 | -34.7 | -170.7 | -64.9 | 9.6 | 0 | 0 | 0 | 110.1 | G293 L294 L298 G300 F301 P388 | G293-D296 WeakPolarHBondContact O-CB 3.24Å; G293-D296 PolarHBondContact O-N 2.96Å; L294-D296 VanDerWaalsContact C-N 3.26Å; L294-D296 PolarHBondContact O-N 2.8Å; D296-L298 VanDerWaalsContact C-N 3.33Å; D296-L298 PolarHBondContact O-N 3.21Å; D296-G300 CarbonylContact O-C 3.59Å; D296-G300 VanDerWaalsContact O-C 3.27Å; D296-G300 WeakPolarHBondContact O-CA 3.47Å; D296-G300 PolarHBondContact O-N 3.11Å; D296-G300 VanDerWaalsContact O-N 3.14Å; D296-F301 HydrophobicContact CB-CB 3.86Å; D296-P388 WeakPolarHBondContact OD1-CB 3.31Å |
| 297 | A | 86.9 | Confident | 88.8 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -34.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | I292 G293 I323 V353 | I292-A297 HydrophobicContact CD1-CB 3.62Å; I292-A297 HydrophobicContact CG1-CB 4.25Å; G293-A297 PolarHBondContact O-N 3.1Å; A297-I323 HydrophobicContact CB-CB 4.32Å; A297-I323 PolarHBondContact O-N 2.97Å; A297-I323 VanDerWaalsContact O-N 3.08Å; A297-V353 HydrophobicContact CB-CG1 4.14Å; A297-V353 HydrophobicContact CB-CG2 3.99Å |
| 298 | L | 86 | Confident | 88.5 | Confident | 68 Ų | 68 | 44 Ų | 44 | 36% | 0.356 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -91.9 | -37.2 | -178.1 | -67.6 | 174.4 | 0 | 0 | 0 | 113.7 | L294 S295 D296 I322 L385 | L294-L298 HydrophobicContact CD1-CD1 4.18Å; L294-L298 HydrophobicContact CD1-CG 4.43Å; L294-L298 HydrophobicContact CG-CD1 4.16Å; L294-L298 WeakPolarHBondContact O-CG 2.95Å; L294-L298 PolarHBondContact O-N 3.05Å; S295-L298 PolarHBondContact O-N 3.35Å; D296-L298 VanDerWaalsContact C-N 3.33Å; D296-L298 PolarHBondContact O-N 3.21Å; L298-I322 HydrophobicContact CD2-CG2 4.12Å; L298-L385 HydrophobicContact CD1-CD1 4.02Å |
| 299 | C | 82.8 | Confident | 88 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 27% | 0.27 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -96.2 | -6.3 | -173.3 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | S295 P319 | S295-C299 VanDerWaalsContact O-CB 3.23Å; S295-C299 WeakPolarHBondContact O-CB 3.38Å; S295-C299 PolarHBondContact O-N 2.75Å; S295-C299 PolarHBondContact O-SG 3.17Å; C299-P319 WeakPolarHBondContact O-CA 3.21Å; C299-P319 WeakPolarHBondContact O-CB 3.43Å |
| 300 | G | 84.2 | Confident | 87.5 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | trans | 85.2 | 152.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D296 | D296-G300 CarbonylContact O-C 3.59Å; D296-G300 VanDerWaalsContact O-C 3.27Å; D296-G300 WeakPolarHBondContact O-CA 3.47Å; D296-G300 PolarHBondContact O-N 3.11Å; D296-G300 VanDerWaalsContact O-N 3.14Å | ||
| 301 | F | 86 | Confident | 87.2 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | trans | -140.1 | 160.5 | -177.7 | 81.7 | -81 | 0 | 0 | 0 | 111.3 | Y290 I292 D296 T303 I315 Y316 N317 I323 F351 L402 | Y290-F301 HydrophobicContact CE1-CE2 4.13Å; I292-F301 HydrophobicContact CG2-CE1 4.42Å; I292-F301 HydrophobicContact CG2-CE2 4.4Å; I292-F301 HydrophobicContact CG2-CZ 4.36Å; D296-F301 HydrophobicContact CB-CB 3.86Å; F301-T303 HydrophobicContact CD2-CG2 4.06Å; F301-T303 HydrophobicContact CE2-CG2 3.55Å; F301-I315 HydrophobicContact CE2-CD1 3.84Å; F301-I315 HydrophobicContact CE2-CG1 4.11Å; F301-I315 HydrophobicContact CZ-CD1 3.78Å; F301-I315 HydrophobicContact CZ-CG1 4.35Å; F301-Y316 VanDerWaalsContact O-CA 3.28Å; F301-Y316 WeakPolarHBondContact O-CA 3.35Å; F301-N317 HydrophobicContact CD1-CB 4.2Å; F301-N317 HydrophobicContact CE1-CB 4.22Å; F301-N317 PolarHBondContact O-N 3.45Å; F301-N317 VanDerWaalsContact O-N 3.09Å; F301-I323 HydrophobicContact CD1-CD1 3.75Å; F301-I323 HydrophobicContact CE1-CD1 3.36Å; F301-F351 AromaticContact CE1-CE1 3.88Å; F301-F351 HydrophobicContact CE1-CE1 3.88Å; F301-F351 AromaticContact CE1-CZ 3.92Å; F301-F351 HydrophobicContact CE1-CZ 3.92Å; F301-F351 HydrophobicContact CE2-CE1 4.4Å; F301-F351 AromaticContact CZ-CE1 3.46Å; F301-F351 HydrophobicContact CZ-CE1 3.46Å; F301-F351 VanDerWaalsContact CZ-CE1 3.46Å; F301-F351 AromaticContact CZ-CZ 3.58Å; F301-F351 HydrophobicContact CZ-CZ 3.58Å; F301-L402 HydrophobicContact CE1-CD1 3.96Å; F301-L402 HydrophobicContact CZ-CD1 3.82Å | ||
| 302 | K | 88.6 | Confident | 87 | Confident | 91 Ų | 91 | 42.1 Ų | 42.1 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 119.4 | 173.8 | -175.5 | 168.7 | -178.2 | 167.1 | 0 | 108.1 | I314 I315 T391 E399 | K302-I314 HydrophobicContact CD-CG2 4.22Å; K302-I314 VanDerWaalsContact CE-CG2 3.45Å; K302-I314 HydrophobicContact CG-CG2 3.7Å; K302-I315 WeakPolarHBondContact CA-O 3.26Å; K302-T391 PolarHBondContact O-OG1 3.19Å; K302-E399 IonicContact NZ-OE1 2.72Å; K302-E399 PolarHBondContact NZ-OE1 3.33Å; K302-E399 IonicContact NZ-OE2 2.63Å; K302-E399 PolarHBondContact NZ-OE2 3.35Å |
| 303 | T | 87.5 | Confident | 87 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 158.4 | -179.6 | -159.9 | 0 | 0 | 0 | 0 | 111.2 | Y290 F301 I305 I314 I315 | Y290-T303 HydrophobicContact CE1-CG2 3.99Å; Y290-T303 HydrophobicContact CE2-CG2 4.24Å; Y290-T303 WeakPolarHBondContact OH-CB 3.44Å; Y290-T303 VanDerWaalsContact OH-CG2 3.29Å; Y290-T303 WeakPolarHBondContact OH-CG2 3.5Å; Y290-T303 PolarHBondContact OH-OG1 2.81Å; F301-T303 HydrophobicContact CD2-CG2 4.06Å; F301-T303 HydrophobicContact CE2-CG2 3.55Å; T303-I305 HydrophobicContact CG2-CG1 4.33Å; T303-I314 CarbonylContact O-C 3.57Å; T303-I314 WeakPolarHBondContact O-CA 3.28Å; T303-I315 HydrophobicContact CG2-CD1 3.83Å; T303-I315 HydrophobicContact CG2-CG1 3.52Å; T303-I315 PolarHBondContact N-O 3.31Å; T303-I315 PolarHBondContact O-N 3.05Å |
| 304 | S | 89.7 | Confident | 87.1 | Confident | 44 Ų | 44 | 40.9 Ų | 40.9 | 31% | 0.308 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131 | 174.4 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | L313 | S304-L313 CarbonylContact C-O 3.27Å; S304-L313 WeakPolarHBondContact CA-O 3.36Å |
| 305 | I | 90.2 | Very high | 87.3 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 138.8 | 173.9 | -63.9 | 171.3 | 0 | 0 | 0 | 108.6 | M288 Y290 T303 L313 I315 I349 | M288-I305 HydrophobicContact CE-CD1 3.78Å; M288-I305 HydrophobicContact CE-CG1 4.3Å; M288-I305 HydrophobicContact CE-CG2 3.87Å; M288-I305 HydrophobicContact SD-CD1 3.89Å; M288-I305 HydrophobicContact SD-CG2 4.03Å; Y290-I305 HydrophobicContact CD2-CD1 4.44Å; Y290-I305 HydrophobicContact CE2-CG1 4.43Å; T303-I305 HydrophobicContact CG2-CG1 4.33Å; I305-L313 PolarHBondContact N-O 3.34Å; I305-L313 PolarHBondContact O-N 3.3Å; I305-I315 HydrophobicContact CD1-CD1 3.28Å; I305-I315 HydrophobicContact CD1-CG1 3.8Å; I305-I315 HydrophobicContact CD1-CG2 4.22Å; I305-I315 HydrophobicContact CG1-CD1 4.23Å; I305-I315 HydrophobicContact CG1-CG1 4.34Å; I305-I349 HydrophobicContact CD1-CD1 3.94Å |
| 306 | R | 89.9 | Confident | 87.6 | Confident | 184 Ų | 184 | 41.6 Ų | 41.6 | 69% | 0.694 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.5 | 173.6 | -55.4 | -153.4 | 161.6 | 154.6 | -1.7 | 110.8 | F279 D312 | F279-R306 WeakPolarHBondContact CZ-O 3.47Å; R306-D312 VanDerWaalsContact CG-OD1 3.27Å; R306-D312 WeakPolarHBondContact CG-OD1 3.38Å; R306-D312 IonicContact NE-OD1 3.89Å; R306-D312 PolarHBondContact NE-OD1 2.98Å |
| 307 | L | 89.6 | Confident | 87.6 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | trans | -86.2 | 172.7 | 177 | -65.2 | 175.7 | 0 | 0 | 0 | 112.2 | N309 N310 T311 L313 E334 L347 | L307-N309 WeakPolarHBondContact CB-OD1 3.34Å; L307-N309 PolarHBondContact O-N 2.82Å; L307-N310 PolarHBondContact O-N 2.85Å; L307-N310 VanDerWaalsContact O-N 3.07Å; L307-T311 PolarHBondContact N-O 3.08Å; L307-L313 HydrophobicContact CD1-CB 3.92Å; L307-L313 HydrophobicContact CD1-CD2 4.29Å; L307-L313 HydrophobicContact CD1-CG 4.48Å; L307-L313 HydrophobicContact CD2-CD2 4.3Å; L307-L313 HydrophobicContact CG-CB 4.02Å; L307-E334 WeakPolarHBondContact CD1-OE2 3.1Å; L307-L347 HydrophobicContact CD2-CD2 4.05Å | ||
| 308 | L | 88.7 | Confident | 87.5 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.8 | -177.8 | -67.5 | 173.8 | 0 | 0 | 0 | 114.9 | L134 E135 Y138 N139 F279 L286 M336 | L134-L308 HydrophobicContact CB-CD1 4.39Å; L134-L308 HydrophobicContact CB-CD2 4.13Å; E135-L308 HydrophobicContact CG-CD2 3.96Å; Y138-L308 HydrophobicContact CD1-CB 4.3Å; Y138-L308 HydrophobicContact CD2-CB 3.95Å; Y138-L308 HydrophobicContact CD2-CD1 3.82Å; Y138-L308 HydrophobicContact CG-CB 3.8Å; Y138-L308 HydrophobicContact CG-CD1 4.24Å; N139-L308 PolarHBondContact ND2-O 3.02Å; F279-L308 HydrophobicContact CD2-CD2 3.63Å; F279-L308 HydrophobicContact CD2-CG 4.08Å; F279-L308 HydrophobicContact CE2-CD2 4.09Å; F279-L308 HydrophobicContact CE2-CG 4.29Å; F279-L308 HydrophobicContact CG-CD2 4.47Å; L286-L308 HydrophobicContact CD1-CD1 3.65Å; L286-L308 HydrophobicContact CD1-CG 4.5Å; L286-L308 HydrophobicContact CD2-CD1 4.31Å; L308-M336 HydrophobicContact CD1-SD 3.92Å |
| 309 | N | 85.6 | Confident | 87.1 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 7.7 | 174.2 | 61.6 | -10 | 0 | 0 | 0 | 113 | Y138 L307 T311 | Y138-N309 HydrophobicContact CD1-CB 4.22Å; Y138-N309 HydrophobicContact CE1-CB 3.81Å; L307-N309 WeakPolarHBondContact CB-OD1 3.34Å; L307-N309 PolarHBondContact O-N 2.82Å; N309-T311 VanDerWaalsContact ND2-CG2 3.35Å; N309-T311 WeakPolarHBondContact ND2-CG2 3.1Å; N309-T311 PolarHBondContact ND2-OG1 3.35Å; N309-T311 PolarHBondContact O-N 2.95Å; N309-T311 PolarHBondContact OD1-N 3.33Å; N309-T311 PolarHBondContact OD1-OG1 3.06Å |
| 310 | N | 83.4 | Confident | 86.8 | Confident | 124 Ų | 124 | 45.7 Ų | 45.7 | 66% | 0.663 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 63.8 | 17.9 | -172.3 | -56.2 | -58.2 | 0 | 0 | 0 | 115.1 | L307 | L307-N310 PolarHBondContact O-N 2.85Å; L307-N310 VanDerWaalsContact O-N 3.07Å |
| 311 | T | 85.3 | Confident | 86.8 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 41% | 0.405 | 26% | 0.26 | S | S | . | . | trans | -88.8 | 140.5 | 170.7 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | L307 N309 | L307-T311 PolarHBondContact N-O 3.08Å; N309-T311 VanDerWaalsContact ND2-CG2 3.35Å; N309-T311 WeakPolarHBondContact ND2-CG2 3.1Å; N309-T311 PolarHBondContact ND2-OG1 3.35Å; N309-T311 PolarHBondContact O-N 2.95Å; N309-T311 PolarHBondContact OD1-N 3.33Å; N309-T311 PolarHBondContact OD1-OG1 3.06Å | ||
| 312 | D | 88.4 | Confident | 86.8 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 121.1 | 175.1 | -68.8 | -18.5 | 0 | 0 | 0 | 109.4 | R306 P394 A397 | R306-D312 VanDerWaalsContact CG-OD1 3.27Å; R306-D312 WeakPolarHBondContact CG-OD1 3.38Å; R306-D312 IonicContact NE-OD1 3.89Å; R306-D312 PolarHBondContact NE-OD1 2.98Å; D312-P394 HydrophobicContact CB-CB 4.35Å; D312-P394 HydrophobicContact CB-CG 3.75Å; D312-P394 WeakPolarHBondContact OD2-CG 3.33Å; D312-A397 HydrophobicContact CB-CB 4.12Å; D312-A397 WeakPolarHBondContact O-CA 3.02Å; D312-A397 WeakPolarHBondContact O-CB 3.32Å |
| 313 | L | 89.8 | Confident | 86.7 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.3 | 176 | -174.4 | 74.8 | 0 | 0 | 0 | 109.4 | S304 I305 L307 I315 V331 E334 E398 V400 | S304-L313 CarbonylContact C-O 3.27Å; S304-L313 WeakPolarHBondContact CA-O 3.36Å; I305-L313 PolarHBondContact N-O 3.34Å; I305-L313 PolarHBondContact O-N 3.3Å; L307-L313 HydrophobicContact CD1-CB 3.92Å; L307-L313 HydrophobicContact CD1-CD2 4.29Å; L307-L313 HydrophobicContact CD1-CG 4.48Å; L307-L313 HydrophobicContact CD2-CD2 4.3Å; L307-L313 HydrophobicContact CG-CB 4.02Å; L313-I315 HydrophobicContact CD2-CG2 3.99Å; L313-I315 HydrophobicContact CG-CG2 4.35Å; L313-V331 HydrophobicContact CD2-CG1 4Å; L313-E334 HydrophobicContact CD2-CG 4.14Å; L313-E398 HydrophobicContact CD1-CB 4.37Å; L313-V400 HydrophobicContact CD1-CB 4.34Å; L313-V400 HydrophobicContact CD1-CG2 3.63Å |
| 314 | I | 90.2 | Very high | 86.7 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 110.8 | 174.5 | -65.2 | 159.4 | 0 | 0 | 0 | 108.9 | K302 T303 K393 A397 E398 E399 V400 | K302-I314 HydrophobicContact CD-CG2 4.22Å; K302-I314 VanDerWaalsContact CE-CG2 3.45Å; K302-I314 HydrophobicContact CG-CG2 3.7Å; T303-I314 CarbonylContact O-C 3.57Å; T303-I314 WeakPolarHBondContact O-CA 3.28Å; I314-K393 HydrophobicContact CD1-CD 4.11Å; I314-K393 HydrophobicContact CD1-CG 3.72Å; I314-A397 HydrophobicContact CD1-CB 3.44Å; I314-A397 VanDerWaalsContact CD1-CB 3.44Å; I314-A397 HydrophobicContact CG1-CB 3.71Å; I314-E398 PolarHBondContact N-O 3.35Å; I314-E399 HydrophobicContact CB-CG 4.12Å; I314-E399 HydrophobicContact CD1-CG 4.03Å; I314-E399 HydrophobicContact CG2-CG 4.17Å; I314-E399 WeakPolarHBondContact O-CA 3.2Å; I314-V400 PolarHBondContact O-N 2.92Å |
| 315 | I | 90.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 140.8 | 171.7 | 63.2 | 162.5 | 0 | 0 | 0 | 110.1 | F301 K302 T303 I305 L313 V331 I349 F351 L402 | F301-I315 HydrophobicContact CE2-CD1 3.84Å; F301-I315 HydrophobicContact CE2-CG1 4.11Å; F301-I315 HydrophobicContact CZ-CD1 3.78Å; F301-I315 HydrophobicContact CZ-CG1 4.35Å; K302-I315 WeakPolarHBondContact CA-O 3.26Å; T303-I315 HydrophobicContact CG2-CD1 3.83Å; T303-I315 HydrophobicContact CG2-CG1 3.52Å; T303-I315 PolarHBondContact N-O 3.31Å; T303-I315 PolarHBondContact O-N 3.05Å; I305-I315 HydrophobicContact CD1-CD1 3.28Å; I305-I315 HydrophobicContact CD1-CG1 3.8Å; I305-I315 HydrophobicContact CD1-CG2 4.22Å; I305-I315 HydrophobicContact CG1-CD1 4.23Å; I305-I315 HydrophobicContact CG1-CG1 4.34Å; L313-I315 HydrophobicContact CD2-CG2 3.99Å; L313-I315 HydrophobicContact CG-CG2 4.35Å; I315-V331 HydrophobicContact CG2-CG2 4.05Å; I315-I349 HydrophobicContact CD1-CD1 3.79Å; I315-I349 HydrophobicContact CG2-CD1 4.35Å; I315-F351 HydrophobicContact CD1-CZ 4.4Å; I315-L402 HydrophobicContact CB-CD1 4.41Å; I315-L402 HydrophobicContact CB-CD2 3.93Å; I315-L402 HydrophobicContact CB-CG 4.15Å; I315-L402 HydrophobicContact CD1-CD1 4.25Å; I315-L402 HydrophobicContact CD1-CD2 4.27Å; I315-L402 HydrophobicContact CG2-CD2 4.08Å |
| 316 | Y | 89.6 | Confident | 86.6 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 29% | 0.286 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 150.9 | 173.5 | 71.7 | -85.6 | 0 | 0 | 0 | 112.6 | F301 E399 V400 R401 L402 | F301-Y316 VanDerWaalsContact O-CA 3.28Å; F301-Y316 WeakPolarHBondContact O-CA 3.35Å; Y316-E399 HydrophobicContact CE1-CB 4.27Å; Y316-V400 WeakPolarHBondContact CD1-O 3.39Å; Y316-V400 VanDerWaalsContact CE1-C 3.49Å; Y316-V400 PolarHBondContact N-O 3.45Å; Y316-R401 HydrophobicContact CE1-CB 4.15Å; Y316-R401 HydrophobicContact CE2-CB 4.11Å; Y316-R401 HydrophobicContact CE2-CG 4.07Å; Y316-L402 PolarHBondContact O-N 3.14Å; Y316-L402 VanDerWaalsContact O-N 3.1Å |
| 317 | N | 87.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | trans | -111.9 | 145.4 | 170.3 | -174 | 15 | 0 | 0 | 0 | 109.8 | F301 E321 I323 W329 L402 | F301-N317 HydrophobicContact CD1-CB 4.2Å; F301-N317 HydrophobicContact CE1-CB 4.22Å; F301-N317 PolarHBondContact O-N 3.45Å; F301-N317 VanDerWaalsContact O-N 3.09Å; N317-E321 PolarHBondContact ND2-O 3.49Å; N317-E321 WeakPolarHBondContact OD1-CB 3.35Å; N317-E321 PolarHBondContact OD1-OE2 3.37Å; N317-I323 HydrophobicContact CB-CD1 4.28Å; N317-I323 VanDerWaalsContact ND2-CG1 3.34Å; N317-I323 WeakPolarHBondContact ND2-CG1 3.22Å; N317-W329 WeakPolarHBondContact OD1-CH2 3.42Å; N317-L402 HydrophobicContact CB-CD1 4.43Å | ||
| 318 | T | 83.4 | Confident | 86.7 | Confident | 41 Ų | 41 | 54.5 Ų | 54.5 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | trans | -75.9 | 137.3 | 179.3 | 64.9 | 0 | 0 | 0 | 0 | 111 | G320 E321 | T318-G320 PolarHBondContact O-N 2.68Å; T318-G320 VanDerWaalsContact O-N 3.1Å; T318-E321 PolarHBondContact N-OE2 3.14Å; T318-E321 PolarHBondContact O-N 3.13Å; T318-E321 WeakPolarHBondContact OG1-CG 3.48Å; T318-E321 PolarHBondContact OG1-OE2 3.02Å | ||
| 319 | P | 77.6 | Confident | 86.9 | Confident | 113 Ų | 113 | 54.5 Ų | 54.5 | 73% | 0.734 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 118.4 | 175.3 | -25.9 | 35 | 0 | 0 | 0 | 111.2 | C299 | C299-P319 WeakPolarHBondContact O-CA 3.21Å; C299-P319 WeakPolarHBondContact O-CB 3.43Å |
| 320 | G | 76.9 | Confident | 87.2 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.7 | -21.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | T318 | T318-G320 PolarHBondContact O-N 2.68Å; T318-G320 VanDerWaalsContact O-N 3.1Å |
| 321 | E | 84.1 | Confident | 87.6 | Confident | 63 Ų | 63 | 47.9 Ų | 47.9 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | trans | -82.3 | 116.1 | 168.4 | -75.5 | 172.5 | 164 | 0 | 0 | 108.8 | N317 T318 W329 R401 | N317-E321 PolarHBondContact ND2-O 3.49Å; N317-E321 WeakPolarHBondContact OD1-CB 3.35Å; N317-E321 PolarHBondContact OD1-OE2 3.37Å; T318-E321 PolarHBondContact N-OE2 3.14Å; T318-E321 PolarHBondContact O-N 3.13Å; T318-E321 WeakPolarHBondContact OG1-CG 3.48Å; T318-E321 PolarHBondContact OG1-OE2 3.02Å; E321-W329 HydrophobicContact CB-CH2 4.18Å; E321-R401 IonicContact OE1-CZ 2.8Å; E321-R401 IonicContact OE1-NH2 2.74Å; E321-R401 PolarHBondContact OE1-NH2 3.21Å; E321-R401 IonicContact OE2-NH2 3.87Å; E321-R401 PolarHBondContact OE2-NH2 2.87Å | ||
| 322 | I | 85.8 | Confident | 87.9 | Confident | 103 Ų | 103 | 47.7 Ų | 47.7 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | trans | -86.6 | 135 | -176.5 | -61.4 | 167.9 | 0 | 0 | 0 | 109.5 | L298 | L298-I322 HydrophobicContact CD2-CG2 4.12Š| ||
| 323 | I | 87.8 | Confident | 87.9 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | trans | -96 | 111.7 | 171.6 | -58.2 | 175.6 | 0 | 0 | 0 | 108.3 | I292 A297 F301 N317 S327 W329 F351 | I292-I323 HydrophobicContact CD1-CB 3.93Å; I292-I323 HydrophobicContact CD1-CD1 3.79Å; I292-I323 HydrophobicContact CD1-CG1 4.46Å; I292-I323 HydrophobicContact CD1-CG2 3.7Å; A297-I323 HydrophobicContact CB-CB 4.32Å; A297-I323 PolarHBondContact O-N 2.97Å; A297-I323 VanDerWaalsContact O-N 3.08Å; F301-I323 HydrophobicContact CD1-CD1 3.75Å; F301-I323 HydrophobicContact CE1-CD1 3.36Å; N317-I323 HydrophobicContact CB-CD1 4.28Å; N317-I323 VanDerWaalsContact ND2-CG1 3.34Å; N317-I323 WeakPolarHBondContact ND2-CG1 3.22Å; I323-S327 WeakPolarHBondContact CG2-OG 3.36Å; I323-W329 HydrophobicContact CG1-CZ2 3.77Å; I323-F351 HydrophobicContact CD1-CD2 4.47Å; I323-F351 HydrophobicContact CD1-CE2 4.34Å; I323-F351 HydrophobicContact CD1-CZ 4.49Å; I323-F351 HydrophobicContact CG2-CB 3.58Å; I323-F351 HydrophobicContact CG2-CD2 3.73Å; I323-F351 HydrophobicContact CG2-CG 3.71Å | ||
| 324 | E | 87.3 | Confident | 87.9 | Confident | 132 Ų | 132 | 48.6 Ų | 48.6 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | trans | -72.4 | 148.4 | 174.2 | -62.7 | -175 | 167.9 | 0 | 0 | 110.6 | D326 S327 | E324-D326 PolarHBondContact O-N 3.07Å; E324-S327 PolarHBondContact N-OG 3.43Å; E324-S327 VanDerWaalsContact O-CB 3.23Å; E324-S327 WeakPolarHBondContact O-CB 3.15Å; E324-S327 PolarHBondContact O-N 3.41Å; E324-S327 VanDerWaalsContact O-N 3.11Å; E324-S327 PolarHBondContact O-OG 2.92Å | ||
| 325 | P | 89 | Confident | 88 | Confident | 84 Ų | 84 | 48.3 Ų | 48.3 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 137.6 | 171.5 | 26.5 | -33.8 | 0 | 0 | 0 | 110.3 | S327 V353 | P325-S327 PolarHBondContact O-N 3.41Å; P325-V353 HydrophobicContact CB-CB 4.31Å; P325-V353 HydrophobicContact CB-CG2 4.26Å |
| 326 | D | 88 | Confident | 88.1 | Confident | 133 Ų | 133 | 48.3 Ų | 48.3 | 71% | 0.711 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 12.7 | -175.8 | -56.5 | -45 | 0 | 0 | 0 | 114.7 | E324 F351 | E324-D326 PolarHBondContact O-N 3.07Å; D326-F351 WeakPolarHBondContact CA-O 3.41Å; D326-F351 PolarHBondContact N-O 3Å |
| 327 | S | 89.8 | Confident | 88.3 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | trans | -69.9 | 147.6 | 171.6 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | I323 E324 P325 W329 F351 | I323-S327 WeakPolarHBondContact CG2-OG 3.36Å; E324-S327 PolarHBondContact N-OG 3.43Å; E324-S327 VanDerWaalsContact O-CB 3.23Å; E324-S327 WeakPolarHBondContact O-CB 3.15Å; E324-S327 PolarHBondContact O-N 3.41Å; E324-S327 VanDerWaalsContact O-N 3.11Å; E324-S327 PolarHBondContact O-OG 2.92Å; P325-S327 PolarHBondContact O-N 3.41Å; S327-W329 PolarHBondContact OG-NE1 3.34Å; S327-F351 PolarHBondContact O-N 3.27Å | ||
| 328 | V | 92.5 | Very high | 88.4 | Confident | 32 Ų | 32 | 47.5 Ų | 47.5 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.6 | 177.9 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | F348 I349 H350 Y405 | V328-F348 HydrophobicContact CG1-CB 3.99Å; V328-F348 HydrophobicContact CG1-CD1 3.84Å; V328-F348 HydrophobicContact CG1-CG 4.36Å; V328-I349 WeakPolarHBondContact CA-O 3.47Å; V328-H350 WeakPolarHBondContact CG2-ND1 3.46Å; V328-Y405 VanDerWaalsContact O-CB 3.3Å; V328-Y405 WeakPolarHBondContact O-CB 3.25Å; V328-Y405 PolarHBondContact O-N 2.79Å; V328-Y405 VanDerWaalsContact O-N 3.13Å |
| 329 | W | 92.1 | Very high | 88.5 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 152.8 | 173.5 | -69.9 | 61.8 | 0 | 0 | 0 | 109.7 | N317 E321 I323 S327 F348 I349 F351 L402 L403 H404 | N317-W329 WeakPolarHBondContact OD1-CH2 3.42Å; E321-W329 HydrophobicContact CB-CH2 4.18Å; I323-W329 HydrophobicContact CG1-CZ2 3.77Å; S327-W329 PolarHBondContact OG-NE1 3.34Å; W329-F348 CarbonylContact O-C 3.57Å; W329-F348 WeakPolarHBondContact O-CA 3.24Å; W329-I349 PolarHBondContact N-O 3.43Å; W329-I349 PolarHBondContact O-N 2.89Å; W329-F351 HydrophobicContact CB-CD2 4.27Å; W329-F351 HydrophobicContact CB-CE2 3.69Å; W329-F351 AromaticContact CD1-CD2 3.51Å; W329-F351 AromaticContact CD1-CE2 3.67Å; W329-F351 HydrophobicContact CD2-CE2 4.4Å; W329-F351 AromaticContact CG-CD2 3.98Å; W329-F351 HydrophobicContact CG-CD2 3.98Å; W329-F351 AromaticContact CG-CE2 3.64Å; W329-F351 HydrophobicContact CG-CE2 3.64Å; W329-L402 HydrophobicContact CD2-CB 4.28Å; W329-L402 HydrophobicContact CE3-CB 3.4Å; W329-L402 HydrophobicContact CZ3-CB 3.89Å; W329-L403 CarbonylContact C-O 3.42Å; W329-L403 WeakPolarHBondContact CA-O 3.26Å; W329-L403 VanDerWaalsContact CE3-C 3.47Å; W329-H404 HydrophobicContact CD2-CB 4.45Å; W329-H404 AromaticContact CE2-CD2 3.9Å; W329-H404 HydrophobicContact CE3-CB 4.35Å; W329-H404 HydrophobicContact CH2-CB 4.44Å; W329-H404 HydrophobicContact CZ2-CB 4.44Å; W329-H404 HydrophobicContact CZ3-CB 4.38Å; W329-H404 AromaticContact NE1-CD2 3.84Å |
| 330 | M | 92.7 | Very high | 88.9 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 14% | 0.138 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136 | -176 | -175.3 | -167.7 | -76.1 | 0 | 0 | 110.6 | N346 L347 F348 L403 Y405 | M330-N346 HydrophobicContact CE-CB 4.24Å; M330-N346 HydrophobicContact CG-CB 3.83Å; M330-N346 HydrophobicContact SD-CB 3.93Å; M330-L347 CarbonylContact C-O 3.53Å; M330-L347 WeakPolarHBondContact CA-O 3.12Å; M330-F348 HydrophobicContact CB-CD1 4.28Å; M330-F348 HydrophobicContact CB-CE1 4.34Å; M330-F348 HydrophobicContact CE-CD1 4.25Å; M330-F348 HydrophobicContact CE-CE1 3.25Å; M330-F348 HydrophobicContact CE-CZ 3.43Å; M330-F348 VanDerWaalsContact CE-CZ 3.43Å; M330-F348 HydrophobicContact CG-CD1 4.44Å; M330-F348 HydrophobicContact CG-CE1 4.27Å; M330-L403 PolarHBondContact N-O 3.42Å; M330-L403 PolarHBondContact O-N 2.75Å; M330-Y405 HydrophobicContact CE-CD2 3.61Å; M330-Y405 HydrophobicContact CE-CE2 3.77Å |
| 331 | V | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 110.3 | 159.8 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | L313 I315 E334 L347 I349 V400 L402 | L313-V331 HydrophobicContact CD2-CG1 4Å; I315-V331 HydrophobicContact CG2-CG2 4.05Å; V331-E334 HydrophobicContact CB-CB 4.44Å; V331-E334 HydrophobicContact CG1-CB 3.82Å; V331-E334 HydrophobicContact CG1-CG 3.62Å; V331-L347 HydrophobicContact CB-CB 4.2Å; V331-L347 PolarHBondContact N-O 2.89Å; V331-L347 PolarHBondContact O-N 3.19Å; V331-I349 HydrophobicContact CG2-CD1 4.05Å; V331-V400 HydrophobicContact CG1-CB 4.42Å; V331-V400 HydrophobicContact CG1-CG1 3.81Å; V331-L402 HydrophobicContact CG2-CD2 3.64Å |
| 332 | P | 90.4 | Very high | 89.5 | Confident | 62 Ų | 62 | 59.6 Ų | 59.6 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 136 | -177.9 | 28.6 | -33.8 | 0 | 0 | 0 | 110.8 | E334 N346 L403 | P332-E334 PolarHBondContact O-N 3.31Å; P332-N346 WeakPolarHBondContact CA-OD1 3.3Å; P332-L403 HydrophobicContact CG-CD1 4.02Å |
| 333 | G | 89.4 | Confident | 89.7 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 0.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | K344 G345 N346 | G333-K344 VanDerWaalsContact O-CB 3.29Å; G333-K344 WeakPolarHBondContact O-CB 3.45Å; G333-K344 WeakPolarHBondContact O-CD 3.43Å; G333-G345 CarbonylContact C-O 3.57Å; G333-G345 VanDerWaalsContact CA-O 3.26Å; G333-G345 WeakPolarHBondContact CA-O 3.33Å; G333-G345 PolarHBondContact N-O 3.02Å; G333-N346 PolarHBondContact N-OD1 2.95Å; G333-N346 VanDerWaalsContact N-OD1 3.13Å |
| 334 | E | 89.3 | Confident | 89.8 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | trans | -103.1 | 22.1 | -179.6 | -67.9 | -55.7 | 147.2 | 0 | 0 | 114.7 | L307 L313 V331 P332 G345 L347 | L307-E334 WeakPolarHBondContact CD1-OE2 3.1Å; L313-E334 HydrophobicContact CD2-CG 4.14Å; V331-E334 HydrophobicContact CB-CB 4.44Å; V331-E334 HydrophobicContact CG1-CB 3.82Å; V331-E334 HydrophobicContact CG1-CG 3.62Å; P332-E334 PolarHBondContact O-N 3.31Å; E334-G345 PolarHBondContact N-O 2.96Å; E334-L347 HydrophobicContact CB-CB 4.06Å | ||
| 335 | G | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -89.9 | -162.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y138 G345 | Y138-G335 VanDerWaalsContact CE2-O 3.31Å; Y138-G335 WeakPolarHBondContact CE2-O 3.3Å; G335-G345 VanDerWaalsContact CA-C 3.45Å; G335-G345 WeakPolarHBondContact CA-O 3.27Å; G335-G345 PolarHBondContact N-O 3.4Å |
| 336 | M | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 144.7 | 176.9 | -67.5 | -65.1 | -67.9 | 0 | 0 | 111.6 | L137 Y138 R281 N284 L286 L308 K344 G345 | L137-M336 HydrophobicContact CB-CE 3.86Å; Y138-M336 HydrophobicContact CD2-SD 3.99Å; R281-M336 HydrophobicContact CG-CG 4.06Å; N284-M336 WeakPolarHBondContact O-CA 3.07Å; N284-M336 WeakPolarHBondContact O-CB 3.33Å; N284-M336 PolarHBondContact O-N 3.04Å; L286-M336 HydrophobicContact CD1-CG 4.43Å; L286-M336 HydrophobicContact CD1-SD 4.33Å; L286-M336 HydrophobicContact CD2-CG 3.74Å; L286-M336 HydrophobicContact CD2-SD 3.92Å; L286-M336 HydrophobicContact CG-CG 3.99Å; L286-M336 HydrophobicContact CG-SD 4.4Å; L308-M336 HydrophobicContact CD1-SD 3.92Å; M336-K344 WeakPolarHBondContact O-CA 3.3Å; M336-G345 PolarHBondContact O-N 3.06Å |
| 337 | P | 93.3 | Very high | 90.6 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 13% | 0.13 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -64 | 139.2 | 173.4 | 24.6 | -31.4 | 0 | 0 | 0 | 111.1 | P242 G243 | P242-P337 HydrophobicContact CB-CB 4.31Å; P242-P337 HydrophobicContact CB-CG 3.84Å; G243-P337 WeakPolarHBondContact CA-O 3.23Å |
| 338 | V | 90.9 | Very high | 90.9 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 24% | 0.242 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -86 | 126.1 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | N284 K340 S341 F343 | N284-V338 HydrophobicContact CB-CG2 4.18Å; V338-K340 PolarHBondContact O-N 3.3Å; V338-S341 PolarHBondContact O-N 2.8Å; V338-S341 VanDerWaalsContact O-N 3.09Å; V338-F343 PolarHBondContact N-O 3.37Å |
| 339 | P | 85.8 | Confident | 90.9 | Very high | 57 Ų | 57 | 50.6 Ų | 50.6 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 135.4 | 178.2 | -26.4 | 33.9 | 0 | 0 | 0 | 112.1 | G243 S341 | G243-P339 WeakPolarHBondContact O-CG 3.36Å; P339-S341 PolarHBondContact O-N 3.29Å |
| 340 | K | 84.7 | Confident | 91 | Very high | 229 Ų | 229 | 53.3 Ų | 53.3 | 100% | 0.996 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 10.1 | -179.2 | -49.3 | 177.5 | 179.9 | 179.1 | 0 | 115.6 | V338 | V338-K340 PolarHBondContact O-N 3.3Š|
| 341 | S | 87.9 | Confident | 91 | Very high | 50 Ų | 50 | 52 Ų | 52 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -126.9 | 154.2 | 179.2 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | V338 P339 F343 | V338-S341 PolarHBondContact O-N 2.8Å; V338-S341 VanDerWaalsContact O-N 3.09Å; P339-S341 PolarHBondContact O-N 3.29Å; S341-F343 VanDerWaalsContact C-N 3.27Å; S341-F343 VanDerWaalsContact OG-CD2 3.23Å; S341-F343 WeakPolarHBondContact OG-CD2 3.3Å; S341-F343 PolarHBondContact OG-N 3.37Å |
| 342 | H | 85.6 | Confident | 91 | Very high | 197 Ų | 197 | 57.3 Ų | 57.3 | 91% | 0.912 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -83.2 | -8.3 | 171.4 | -65.4 | -68.3 | 0 | 0 | 0 | 112.5 | ||
| 343 | F | 89.7 | Confident | 91 | Very high | 161 Ų | 161 | 55.2 Ų | 55.2 | 71% | 0.706 | 28% | 0.278 | S | S | * | . | trans | -81.5 | 146.3 | 179.9 | -61.3 | -66.9 | 0 | 0 | 0 | 111.8 | V338 S341 | V338-F343 PolarHBondContact N-O 3.37Å; S341-F343 VanDerWaalsContact C-N 3.27Å; S341-F343 VanDerWaalsContact OG-CD2 3.23Å; S341-F343 WeakPolarHBondContact OG-CD2 3.3Å; S341-F343 PolarHBondContact OG-N 3.37Å | ||
| 344 | K | 91.7 | Very high | 91 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -105.9 | 156.3 | 169.3 | -61.9 | 179.1 | -174.6 | 177.8 | 0 | 109.1 | Y138 G333 M336 | Y138-K344 WeakPolarHBondContact OH-CE 3.47Å; Y138-K344 PolarHBondContact OH-NZ 3.33Å; G333-K344 VanDerWaalsContact O-CB 3.29Å; G333-K344 WeakPolarHBondContact O-CB 3.45Å; G333-K344 WeakPolarHBondContact O-CD 3.43Å; M336-K344 WeakPolarHBondContact O-CA 3.3Å |
| 345 | G | 91.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 62 Ų | 62 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | trans | -71.8 | -161.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N284 D285 G333 E334 G335 M336 | N284-G345 WeakPolarHBondContact O-CA 3.38Å; D285-G345 WeakPolarHBondContact OD1-CA 3.43Å; G333-G345 CarbonylContact C-O 3.57Å; G333-G345 VanDerWaalsContact CA-O 3.26Å; G333-G345 WeakPolarHBondContact CA-O 3.33Å; G333-G345 PolarHBondContact N-O 3.02Å; E334-G345 PolarHBondContact N-O 2.96Å; G335-G345 VanDerWaalsContact CA-C 3.45Å; G335-G345 WeakPolarHBondContact CA-O 3.27Å; G335-G345 PolarHBondContact N-O 3.4Å; M336-G345 PolarHBondContact O-N 3.06Å | ||
| 346 | N | 94.1 | Very high | 90.1 | Very high | 45 Ų | 45 | 65.5 Ų | 65.5 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | trans | -111.1 | 154.7 | -177.9 | -56 | -51.7 | 0 | 0 | 0 | 111.8 | D285 L286 M330 P332 G333 F348 | D285-N346 CarbonylContact C-O 3.21Å; D285-N346 VanDerWaalsContact CA-O 3.27Å; D285-N346 WeakPolarHBondContact CA-O 3.35Å; D285-N346 WeakPolarHBondContact CB-O 3.26Å; D285-N346 PolarHBondContact OD1-N 3.13Å; L286-N346 PolarHBondContact N-O 3.45Å; M330-N346 HydrophobicContact CE-CB 4.24Å; M330-N346 HydrophobicContact CG-CB 3.83Å; M330-N346 HydrophobicContact SD-CB 3.93Å; P332-N346 WeakPolarHBondContact CA-OD1 3.3Å; G333-N346 PolarHBondContact N-OD1 2.95Å; G333-N346 VanDerWaalsContact N-OD1 3.13Å; N346-F348 HydrophobicContact CB-CE2 4.41Å | ||
| 347 | L | 94.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.5 | 171 | 172.9 | 68.6 | 0 | 0 | 0 | 109.3 | F279 L286 M288 L307 M330 V331 E334 I349 | F279-L347 HydrophobicContact CD1-CD1 4.14Å; F279-L347 HydrophobicContact CE1-CD1 3.97Å; L286-L347 HydrophobicContact CB-CD1 3.7Å; L286-L347 CarbonylContact O-C 3.5Å; L286-L347 WeakPolarHBondContact O-CA 3.35Å; M288-L347 HydrophobicContact CG-CD1 4.11Å; M288-L347 HydrophobicContact SD-CD1 4.17Å; M288-L347 HydrophobicContact SD-CD2 4.14Å; M288-L347 HydrophobicContact SD-CG 4.48Å; L307-L347 HydrophobicContact CD2-CD2 4.05Å; M330-L347 CarbonylContact C-O 3.53Å; M330-L347 WeakPolarHBondContact CA-O 3.12Å; V331-L347 HydrophobicContact CB-CB 4.2Å; V331-L347 PolarHBondContact N-O 2.89Å; V331-L347 PolarHBondContact O-N 3.19Å; E334-L347 HydrophobicContact CB-CB 4.06Å; L347-I349 HydrophobicContact CD2-CD1 4.43Å; L347-I349 HydrophobicContact CD2-CG1 4.45Å; L347-I349 HydrophobicContact CG-CG1 4.21Å |
| 348 | F | 95.2 | Very high | 88 | Confident | 13 Ų | 13 | 77.7 Ų | 77.7 | 6% | 0.057 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.7 | 174.5 | -66.5 | -78.7 | 0 | 0 | 0 | 110.4 | D285 L286 H287 M288 V328 W329 M330 N346 Y405 | D285-F348 HydrophobicContact CB-CD2 3.91Å; D285-F348 HydrophobicContact CB-CE2 3.64Å; L286-F348 PolarHBondContact O-N 3.21Å; H287-F348 CarbonylContact C-O 3.6Å; H287-F348 VanDerWaalsContact CA-O 3.28Å; H287-F348 WeakPolarHBondContact CA-O 3.46Å; H287-F348 AromaticContact CE1-CD2 3.45Å; H287-F348 VanDerWaalsContact CE1-CD2 3.45Å; H287-F348 WeakPolarHBondContact CE1-CD2 3.4Å; H287-F348 AromaticContact CE1-CG 3.66Å; H287-F348 VanDerWaalsContact ND1-CB 3.29Å; H287-F348 WeakPolarHBondContact ND1-CB 3.03Å; H287-F348 AromaticContact ND1-CD2 3.96Å; H287-F348 AromaticContact ND1-CG 3.87Å; H287-F348 AromaticContact NE2-CD2 3.85Å; M288-F348 PolarHBondContact N-O 3.21Å; V328-F348 HydrophobicContact CG1-CB 3.99Å; V328-F348 HydrophobicContact CG1-CD1 3.84Å; V328-F348 HydrophobicContact CG1-CG 4.36Å; W329-F348 CarbonylContact O-C 3.57Å; W329-F348 WeakPolarHBondContact O-CA 3.24Å; M330-F348 HydrophobicContact CB-CD1 4.28Å; M330-F348 HydrophobicContact CB-CE1 4.34Å; M330-F348 HydrophobicContact CE-CD1 4.25Å; M330-F348 HydrophobicContact CE-CE1 3.25Å; M330-F348 HydrophobicContact CE-CZ 3.43Å; M330-F348 VanDerWaalsContact CE-CZ 3.43Å; M330-F348 HydrophobicContact CG-CD1 4.44Å; M330-F348 HydrophobicContact CG-CE1 4.27Å; N346-F348 HydrophobicContact CB-CE2 4.41Å; F348-Y405 HydrophobicContact CD1-CD2 4.49Å; F348-Y405 HydrophobicContact CD1-CG 4.41Å; F348-Y405 HydrophobicContact CE1-CD1 4.31Å; F348-Y405 AromaticContact CE1-CD2 3.64Å; F348-Y405 HydrophobicContact CE1-CD2 3.64Å; F348-Y405 HydrophobicContact CE1-CE1 4.38Å; F348-Y405 AromaticContact CE1-CE2 3.69Å; F348-Y405 HydrophobicContact CE1-CE2 3.69Å; F348-Y405 AromaticContact CE1-CG 3.93Å; F348-Y405 HydrophobicContact CE1-CG 3.93Å; F348-Y405 HydrophobicContact CZ-CE2 4.17Å |
| 349 | I | 94.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.5 | -180 | -51.7 | -176.6 | 0 | 0 | 0 | 107.6 | M288 I305 I315 V328 W329 V331 L347 F351 L402 | M288-I349 HydrophobicContact CG-CB 4.23Å; M288-I349 HydrophobicContact CG-CG1 3.85Å; M288-I349 HydrophobicContact CG-CG2 4.14Å; M288-I349 HydrophobicContact SD-CD1 4.17Å; M288-I349 HydrophobicContact SD-CG1 3.97Å; I305-I349 HydrophobicContact CD1-CD1 3.94Å; I315-I349 HydrophobicContact CD1-CD1 3.79Å; I315-I349 HydrophobicContact CG2-CD1 4.35Å; V328-I349 WeakPolarHBondContact CA-O 3.47Å; W329-I349 PolarHBondContact N-O 3.43Å; W329-I349 PolarHBondContact O-N 2.89Å; V331-I349 HydrophobicContact CG2-CD1 4.05Å; L347-I349 HydrophobicContact CD2-CD1 4.43Å; L347-I349 HydrophobicContact CD2-CG1 4.45Å; L347-I349 HydrophobicContact CG-CG1 4.21Å; I349-F351 HydrophobicContact CB-CE2 4.25Å; I349-F351 HydrophobicContact CB-CZ 4.25Å; I349-F351 HydrophobicContact CG2-CD1 4.26Å; I349-F351 HydrophobicContact CG2-CD2 4.38Å; I349-F351 HydrophobicContact CG2-CE1 3.82Å; I349-F351 HydrophobicContact CG2-CE2 3.99Å; I349-F351 HydrophobicContact CG2-CZ 3.66Å; I349-L402 HydrophobicContact CD1-CD2 3.96Å |
| 350 | H | 93.5 | Very high | 85.6 | Confident | 62 Ų | 62 | 83.5 Ų | 83.5 | 29% | 0.287 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.6 | 172.1 | -64.3 | -96.3 | 0 | 0 | 0 | 108.2 | H287 M288 K289 Y290 V328 | H287-H350 AromaticContact CG-NE2 3.83Å; H287-H350 AromaticContact ND1-CD2 3.93Å; H287-H350 AromaticContact ND1-NE2 3.12Å; H287-H350 PolarHBondContact ND1-NE2 3.23Å; H287-H350 VanDerWaalsContact ND1-NE2 3.12Å; M288-H350 PolarHBondContact O-N 3.17Å; K289-H350 WeakPolarHBondContact CA-O 3.46Å; K289-H350 HydrophobicContact CG-CB 4.33Å; Y290-H350 PolarHBondContact N-O 3.03Å; V328-H350 WeakPolarHBondContact CG2-ND1 3.46Å |
| 351 | F | 92.5 | Very high | 84.5 | Confident | 1 Ų | 1 | 78.6 Ų | 78.6 | 0% | 0.004 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.1 | -178.3 | -74.1 | -71.8 | 0 | 0 | 0 | 112 | Y290 I292 F301 I315 I323 D326 S327 W329 I349 L402 | Y290-F351 HydrophobicContact CD1-CD1 4.01Å; Y290-F351 AromaticContact CD1-CE1 3.69Å; Y290-F351 HydrophobicContact CD1-CE1 3.69Å; Y290-F351 HydrophobicContact CG-CE1 4.37Å; Y290-F351 WeakPolarHBondContact O-CA 3.35Å; I292-F351 HydrophobicContact CD1-CB 4.28Å; I292-F351 HydrophobicContact CD1-CD1 3.93Å; I292-F351 HydrophobicContact CD1-CG 4.26Å; I292-F351 HydrophobicContact CG1-CD1 4.24Å; I292-F351 HydrophobicContact CG2-CD1 3.88Å; I292-F351 HydrophobicContact CG2-CE1 4.07Å; F301-F351 AromaticContact CE1-CE1 3.88Å; F301-F351 HydrophobicContact CE1-CE1 3.88Å; F301-F351 AromaticContact CE1-CZ 3.92Å; F301-F351 HydrophobicContact CE1-CZ 3.92Å; F301-F351 HydrophobicContact CE2-CE1 4.4Å; F301-F351 AromaticContact CZ-CE1 3.46Å; F301-F351 HydrophobicContact CZ-CE1 3.46Å; F301-F351 VanDerWaalsContact CZ-CE1 3.46Å; F301-F351 AromaticContact CZ-CZ 3.58Å; F301-F351 HydrophobicContact CZ-CZ 3.58Å; I315-F351 HydrophobicContact CD1-CZ 4.4Å; I323-F351 HydrophobicContact CD1-CD2 4.47Å; I323-F351 HydrophobicContact CD1-CE2 4.34Å; I323-F351 HydrophobicContact CD1-CZ 4.49Å; I323-F351 HydrophobicContact CG2-CB 3.58Å; I323-F351 HydrophobicContact CG2-CD2 3.73Å; I323-F351 HydrophobicContact CG2-CG 3.71Å; D326-F351 WeakPolarHBondContact CA-O 3.41Å; D326-F351 PolarHBondContact N-O 3Å; S327-F351 PolarHBondContact O-N 3.27Å; W329-F351 HydrophobicContact CB-CD2 4.27Å; W329-F351 HydrophobicContact CB-CE2 3.69Å; W329-F351 AromaticContact CD1-CD2 3.51Å; W329-F351 AromaticContact CD1-CE2 3.67Å; W329-F351 HydrophobicContact CD2-CE2 4.4Å; W329-F351 AromaticContact CG-CD2 3.98Å; W329-F351 HydrophobicContact CG-CD2 3.98Å; W329-F351 AromaticContact CG-CE2 3.64Å; W329-F351 HydrophobicContact CG-CE2 3.64Å; I349-F351 HydrophobicContact CB-CE2 4.25Å; I349-F351 HydrophobicContact CB-CZ 4.25Å; I349-F351 HydrophobicContact CG2-CD1 4.26Å; I349-F351 HydrophobicContact CG2-CD2 4.38Å; I349-F351 HydrophobicContact CG2-CE1 3.82Å; I349-F351 HydrophobicContact CG2-CE2 3.99Å; I349-F351 HydrophobicContact CG2-CZ 3.66Å; F351-L402 HydrophobicContact CE2-CD1 4.12Å; F351-L402 HydrophobicContact CZ-CD1 3.72Å |
| 352 | E | 92.4 | Very high | 83.3 | Confident | 112 Ų | 112 | 76.8 Ų | 76.8 | 52% | 0.523 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.6 | 170.3 | -172.5 | 176.9 | 174.9 | 0 | 0 | 109 | Y290 S291 I292 V354 | Y290-E352 PolarHBondContact O-N 3.42Å; S291-E352 CarbonylContact C-O 3.59Å; S291-E352 VanDerWaalsContact CA-O 3.27Å; S291-E352 WeakPolarHBondContact CA-O 3.48Å; I292-E352 PolarHBondContact N-O 3.33Å; E352-V354 PolarHBondContact O-N 2.84Å |
| 353 | V | 90.4 | Very high | 82.1 | Confident | 17 Ų | 17 | 71 Ų | 71 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110.3 | -179.5 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | I292 L294 A297 P325 F355 | I292-V353 HydrophobicContact CD1-CG2 4.22Å; I292-V353 HydrophobicContact CG1-CG2 4.08Å; I292-V353 CarbonylContact O-C 3.54Å; I292-V353 WeakPolarHBondContact O-CA 3.24Å; L294-V353 HydrophobicContact CB-CG1 4.34Å; L294-V353 HydrophobicContact CD1-CG1 4.04Å; A297-V353 HydrophobicContact CB-CG1 4.14Å; A297-V353 HydrophobicContact CB-CG2 3.99Å; P325-V353 HydrophobicContact CB-CB 4.31Å; P325-V353 HydrophobicContact CB-CG2 4.26Å; V353-F355 HydrophobicContact CG1-CE2 4.29Å |
| 354 | V | 88.3 | Confident | 81 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 119.4 | 179 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | I292 L294 E352 | I292-V354 PolarHBondContact O-N 2.88Å; L294-V354 PolarHBondContact N-O 3.41Å; E352-V354 PolarHBondContact O-N 2.84Å |
| 355 | F | 83.3 | Confident | 79.5 | Confident | 130 Ų | 130 | 71.8 Ų | 71.8 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 142.1 | 173.2 | -73.5 | -100.2 | 0 | 0 | 0 | 110.7 | L294 V353 | L294-F355 HydrophobicContact CD1-CD1 4.49Å; L294-F355 HydrophobicContact CD1-CE1 3.82Å; L294-F355 HydrophobicContact CD1-CZ 3.95Å; L294-F355 HydrophobicContact CD2-CD1 3.81Å; L294-F355 HydrophobicContact CD2-CE1 3.66Å; L294-F355 HydrophobicContact CG-CE1 4.27Å; V353-F355 HydrophobicContact CG1-CE2 4.29Å |
| 356 | P | 78.5 | Confident | 77.9 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 138.8 | 172.6 | 27.1 | -33.1 | 0 | 0 | 0 | 110.4 | L358 | P356-L358 PolarHBondContact O-N 3.13Å; P356-L358 VanDerWaalsContact O-N 3.15Å |
| 357 | V | 75.1 | Confident | 76.3 | Confident | 147 Ų | 147 | 77.2 Ų | 77.2 | 89% | 0.891 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -69 | -11.5 | -176.7 | -172.4 | 0 | 0 | 0 | 0 | 112.9 | T359 | V357-T359 PolarHBondContact O-N 3.12Š|
| 358 | L | 69.3 | Low | 74.6 | Confident | 129 Ų | 129 | 79.7 Ų | 79.7 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | trans | -70.8 | 126.9 | -177.8 | -59.5 | 175.6 | 0 | 0 | 0 | 110.6 | P356 S360 | P356-L358 PolarHBondContact O-N 3.13Å; P356-L358 VanDerWaalsContact O-N 3.15Å; L358-S360 PolarHBondContact O-N 3.47Å | ||
| 359 | T | 62.9 | Low | 72.9 | Confident | 155 Ų | 155 | 84.2 Ų | 84.2 | 95% | 0.951 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -65.3 | -16.3 | 175.1 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | V357 | V357-T359 PolarHBondContact O-N 3.12Š|
| 360 | S | 63.2 | Low | 71 | Confident | 65 Ų | 65 | 89.2 Ų | 89.2 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | trans | -139 | 126.8 | 171 | 63.1 | 0 | 0 | 0 | 0 | 110.3 | L358 A362 | L358-S360 PolarHBondContact O-N 3.47Å; S360-A362 PolarHBondContact O-N 3.45Å | ||
| 361 | F | 61.8 | Low | 69 | Low | 126 Ų | 126 | 88.3 Ų | 88.3 | 55% | 0.553 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -74.9 | -11.7 | 176.9 | 60.4 | -90.3 | 0 | 0 | 0 | 113.6 | L384 | F361-L384 HydrophobicContact CE2-CB 4.45Š|
| 362 | A | 60.9 | Low | 67.1 | Low | 12 Ų | 12 | 93.8 Ų | 93.8 | 10% | 0.099 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -157.3 | 145.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S360 E366 I367 | S360-A362 PolarHBondContact O-N 3.45Å; A362-E366 HydrophobicContact CB-CB 4.13Å; A362-I367 HydrophobicContact CB-CD1 4.13Å; A362-I367 HydrophobicContact CB-CG1 3.5Å |
| 363 | T | 61.9 | Low | 65.4 | Low | 76 Ų | 76 | 92.7 Ų | 92.7 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | trans | -68.6 | 153.1 | 169.2 | 55 | 0 | 0 | 0 | 0 | 110.2 | A365 E366 I367 | T363-A365 PolarHBondContact O-N 3.46Å; T363-E366 PolarHBondContact N-OE2 3.06Å; T363-E366 PolarHBondContact O-N 3.44Å; T363-E366 VanDerWaalsContact OG1-CG 3.27Å; T363-E366 WeakPolarHBondContact OG1-CG 3.32Å; T363-E366 PolarHBondContact OG1-N 3.2Å; T363-E366 PolarHBondContact OG1-OE2 3.34Å; T363-I367 WeakPolarHBondContact O-CG1 3.23Å; T363-I367 PolarHBondContact O-N 2.86Å | ||
| 364 | K | 64.9 | Low | 63.4 | Low | 196 Ų | 196 | 95 Ų | 95 | 85% | 0.852 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -51.1 | -32.4 | 177.4 | -73.8 | -176.4 | 179.5 | 179.2 | 0 | 112.6 | A368 | K364-A368 WeakPolarHBondContact O-CB 3.49Å; K364-A368 PolarHBondContact O-N 2.89Å; K364-A368 VanDerWaalsContact O-N 3.08Å |
| 365 | A | 60.5 | Low | 61.6 | Low | 66 Ų | 66 | 95.3 Ų | 95.3 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T363 A368 V369 | T363-A365 PolarHBondContact O-N 3.46Å; A365-A368 PolarHBondContact O-N 3.43Å; A365-V369 VanDerWaalsContact O-CG2 3.26Å; A365-V369 WeakPolarHBondContact O-CG2 3.38Å; A365-V369 PolarHBondContact O-N 2.98Å |
| 366 | E | 59.7 | Low | 60.1 | Low | 105 Ų | 105 | 96.2 Ų | 96.2 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.2 | -36.9 | 177.4 | -72.5 | 164.2 | 152.7 | 0 | 0 | 112.4 | A362 T363 R370 | A362-E366 HydrophobicContact CB-CB 4.13Å; T363-E366 PolarHBondContact N-OE2 3.06Å; T363-E366 PolarHBondContact O-N 3.44Å; T363-E366 VanDerWaalsContact OG1-CG 3.27Å; T363-E366 WeakPolarHBondContact OG1-CG 3.32Å; T363-E366 PolarHBondContact OG1-N 3.2Å; T363-E366 PolarHBondContact OG1-OE2 3.34Å; E366-R370 WeakPolarHBondContact O-CB 3.44Å; E366-R370 PolarHBondContact O-N 3.28Å |
| 367 | I | 59.4 | Low | 58.5 | Low | 62 Ų | 62 | 101.5 Ų | 101.5 | 32% | 0.318 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.5 | -46.8 | 172.7 | -60.2 | 171.8 | 0 | 0 | 0 | 109.5 | A362 T363 V369 R370 C371 | A362-I367 HydrophobicContact CB-CD1 4.13Å; A362-I367 HydrophobicContact CB-CG1 3.5Å; T363-I367 WeakPolarHBondContact O-CG1 3.23Å; T363-I367 PolarHBondContact O-N 2.86Å; I367-V369 PolarHBondContact O-N 3.18Å; I367-R370 PolarHBondContact O-N 2.93Å; I367-C371 WeakPolarHBondContact O-CB 3.32Å; I367-C371 PolarHBondContact O-N 3.12Å; I367-C371 PolarHBondContact O-SG 3.05Å |
| 368 | A | 58.3 | Low | 57.2 | Low | 52 Ų | 52 | 100.6 Ų | 100.6 | 43% | 0.43 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.8 | -43.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | K364 A365 C371 C372 | K364-A368 WeakPolarHBondContact O-CB 3.49Å; K364-A368 PolarHBondContact O-N 2.89Å; K364-A368 VanDerWaalsContact O-N 3.08Å; A365-A368 PolarHBondContact O-N 3.43Å; A368-C371 PolarHBondContact O-N 2.86Å; A368-C372 WeakPolarHBondContact O-CB 3.44Å; A368-C372 PolarHBondContact O-N 3.2Å; A368-C372 PolarHBondContact O-SG 3.36Å |
| 369 | V | 59.8 | Low | 56.3 | Low | 108 Ų | 108 | 96.3 Ų | 96.3 | 66% | 0.655 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.1 | -40.8 | 179.9 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | A365 I367 S373 | A365-V369 VanDerWaalsContact O-CG2 3.26Å; A365-V369 WeakPolarHBondContact O-CG2 3.38Å; A365-V369 PolarHBondContact O-N 2.98Å; I367-V369 PolarHBondContact O-N 3.18Å; V369-S373 PolarHBondContact O-OG 3.35Å |
| 370 | R | 54.5 | Low | 55.7 | Low | 105 Ų | 105 | 96.4 Ų | 96.4 | 40% | 0.396 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74.7 | -34.1 | 177.2 | -80 | 179.3 | 168.8 | 174 | -10.6 | 112.9 | E366 I367 S373 T383 L384 | E366-R370 WeakPolarHBondContact O-CB 3.44Å; E366-R370 PolarHBondContact O-N 3.28Å; I367-R370 PolarHBondContact O-N 2.93Å; R370-S373 PolarHBondContact O-OG 3.25Å; R370-T383 PolarHBondContact NH1-O 3.35Å; R370-T383 PolarHBondContact NH2-O 3.44Å; R370-L384 HydrophobicContact CB-CD2 4.3Å |
| 371 | C | 52.1 | Low | 55.5 | Low | 43 Ų | 43 | 98.6 Ų | 98.6 | 29% | 0.291 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.8 | -24.6 | 175.7 | -70.8 | 0 | 0 | 0 | 0 | 113.7 | I367 A368 I379 | I367-C371 WeakPolarHBondContact O-CB 3.32Å; I367-C371 PolarHBondContact O-N 3.12Å; I367-C371 PolarHBondContact O-SG 3.05Å; A368-C371 PolarHBondContact O-N 2.86Å; C371-I379 HydrophobicContact CB-CD1 4.26Å; C371-I379 VanDerWaalsContact SG-CD1 3.52Å |
| 372 | C | 52.2 | Low | 55.3 | Low | 115 Ų | 115 | 94.7 Ų | 94.7 | 78% | 0.777 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -12.6 | 179.4 | -75.8 | 0 | 0 | 0 | 0 | 114.4 | A368 | A368-C372 WeakPolarHBondContact O-CB 3.44Å; A368-C372 PolarHBondContact O-N 3.2Å; A368-C372 PolarHBondContact O-SG 3.36Å |
| 373 | S | 55.8 | Low | 55.1 | Low | 90 Ų | 90 | 96.5 Ų | 96.5 | 63% | 0.629 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -103.3 | -5.1 | -176.1 | 51 | 0 | 0 | 0 | 0 | 114.5 | V369 R370 | V369-S373 PolarHBondContact O-OG 3.35Å; R370-S373 PolarHBondContact O-OG 3.25Å |
| 374 | L | 49.9 | Very low | 55 | Low | 66 Ų | 66 | 94.6 Ų | 94.6 | 35% | 0.346 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -133.4 | 140.7 | 176.8 | -67.2 | 170.8 | 0 | 0 | 0 | 109.4 | I376 I379 | L374-I376 PolarHBondContact O-N 3.07Å; L374-I379 HydrophobicContact CB-CG1 4.5Å |
| 375 | P | 50.1 | Low | 54.9 | Low | 80 Ų | 80 | 86.4 Ų | 86.4 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | trans | -54 | 134.6 | 168.4 | 24.5 | -31.4 | 0 | 0 | 0 | 108.1 | M377 E378 | P375-M377 PolarHBondContact O-N 3.47Å; P375-E378 HydrophobicContact CG-CB 4.34Å; P375-E378 HydrophobicContact CG-CG 4.34Å; P375-E378 PolarHBondContact O-N 2.88Å | ||
| 376 | I | 51.9 | Low | 54.9 | Low | 149 Ų | 149 | 87.3 Ų | 87.3 | 76% | 0.764 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -18.1 | -173.4 | -63.5 | 165.8 | 0 | 0 | 0 | 112.8 | L374 | L374-I376 PolarHBondContact O-N 3.07Š|
| 377 | M | 43.5 | Very low | 54.9 | Low | 184 Ų | 184 | 89 Ų | 89 | 91% | 0.906 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -15.4 | 178.7 | -59 | -93.9 | -83.9 | 0 | 0 | 114.6 | P375 | P375-M377 PolarHBondContact O-N 3.47Š|
| 378 | E | 48.1 | Very low | 54.9 | Low | 128 Ų | 128 | 89.3 Ų | 89.3 | 60% | 0.598 | 50% | 0.495 | S | S | * | . | trans | -123.7 | 18.8 | -172.7 | -66.8 | -170.9 | 168.5 | 0 | 0 | 114.2 | P375 K380 | P375-E378 HydrophobicContact CG-CB 4.34Å; P375-E378 HydrophobicContact CG-CG 4.34Å; P375-E378 PolarHBondContact O-N 2.88Å; E378-K380 PolarHBondContact O-N 3.3Å | ||
| 379 | I | 50.3 | Low | 54.9 | Low | 39 Ų | 39 | 92.6 Ų | 92.6 | 20% | 0.2 | 51% | 0.51 | C | S | . | . | trans | -67.9 | 91 | 172 | -54.7 | 174.1 | 0 | 0 | 0 | 107.6 | C371 L374 I381 L384 | C371-I379 HydrophobicContact CB-CD1 4.26Å; C371-I379 VanDerWaalsContact SG-CD1 3.52Å; L374-I379 HydrophobicContact CB-CG1 4.5Å; I379-I381 PolarHBondContact O-N 2.75Å; I379-L384 HydrophobicContact CG2-CD1 3.62Å; I379-L384 HydrophobicContact CG2-CD2 4.06Å; I379-L384 HydrophobicContact CG2-CG 3.69Å | ||
| 380 | K | 51.9 | Low | 54.8 | Low | 158 Ų | 158 | 97.4 Ų | 97.4 | 69% | 0.687 | 52% | 0.522 | S | S | * | . | trans | -57.4 | 116.5 | 172.3 | -68.8 | -177.6 | -179.5 | 179.3 | 0 | 106.1 | E378 A382 T383 | E378-K380 PolarHBondContact O-N 3.3Å; K380-A382 HydrophobicContact CB-CB 4.47Å; K380-A382 PolarHBondContact O-N 2.96Å; K380-T383 HydrophobicContact CB-CG2 4.28Å; K380-T383 WeakPolarHBondContact O-CB 3.49Å; K380-T383 PolarHBondContact O-N 2.9Å; K380-T383 PolarHBondContact O-OG1 3.15Å | ||
| 381 | I | 58.3 | Low | 55.2 | Low | 111 Ų | 111 | 95 Ų | 95 | 57% | 0.569 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -49.8 | -32.3 | 177.5 | -67.1 | 168.8 | 0 | 0 | 0 | 110.7 | I379 T383 L384 L385 | I379-I381 PolarHBondContact O-N 2.75Å; I381-T383 PolarHBondContact O-N 3.39Å; I381-T383 VanDerWaalsContact O-N 3.16Å; I381-L384 PolarHBondContact O-N 3.31Å; I381-L385 HydrophobicContact CG2-CD1 3.68Å; I381-L385 HydrophobicContact CG2-CG 4.06Å; I381-L385 PolarHBondContact O-N 2.9Å |
| 382 | A | 56.3 | Low | 55.8 | Low | 44 Ų | 44 | 98.4 Ų | 98.4 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -54.5 | -26.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K380 | K380-A382 HydrophobicContact CB-CB 4.47Å; K380-A382 PolarHBondContact O-N 2.96Å |
| 383 | T | 58.5 | Low | 56.5 | Low | 50 Ų | 50 | 99 Ų | 99 | 31% | 0.307 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -84.8 | -21.4 | 176 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | R370 K380 I381 | R370-T383 PolarHBondContact NH1-O 3.35Å; R370-T383 PolarHBondContact NH2-O 3.44Å; K380-T383 HydrophobicContact CB-CG2 4.28Å; K380-T383 WeakPolarHBondContact O-CB 3.49Å; K380-T383 PolarHBondContact O-N 2.9Å; K380-T383 PolarHBondContact O-OG1 3.15Å; I381-T383 PolarHBondContact O-N 3.39Å; I381-T383 VanDerWaalsContact O-N 3.16Å |
| 384 | L | 58.3 | Low | 57.2 | Low | 35 Ų | 35 | 96.2 Ų | 96.2 | 18% | 0.183 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -87.2 | -32.6 | 176.9 | -64.9 | 179.8 | 0 | 0 | 0 | 111.9 | F361 R370 I379 I381 | F361-L384 HydrophobicContact CE2-CB 4.45Å; R370-L384 HydrophobicContact CB-CD2 4.3Å; I379-L384 HydrophobicContact CG2-CD1 3.62Å; I379-L384 HydrophobicContact CG2-CD2 4.06Å; I379-L384 HydrophobicContact CG2-CG 3.69Å; I381-L384 PolarHBondContact O-N 3.31Å |
| 385 | L | 63.2 | Low | 57.9 | Low | 24 Ų | 24 | 102.3 Ų | 102.3 | 13% | 0.126 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -78.7 | 149.5 | 177.5 | -64.2 | 176.9 | 0 | 0 | 0 | 111.4 | L298 I381 H387 | L298-L385 HydrophobicContact CD1-CD1 4.02Å; I381-L385 HydrophobicContact CG2-CD1 3.68Å; I381-L385 HydrophobicContact CG2-CG 4.06Å; I381-L385 PolarHBondContact O-N 2.9Å; L385-H387 PolarHBondContact O-N 3.41Å |
| 386 | P | 60.3 | Low | 58.9 | Low | 85 Ų | 85 | 106.3 Ų | 106.3 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 140.4 | 173.6 | 21.9 | -31.7 | 0 | 0 | 0 | 110.1 | S295 | S295-P386 WeakPolarHBondContact CB-O 3.5Š|
| 387 | H | 59.9 | Low | 59.8 | Low | 141 Ų | 141 | 100 Ų | 100 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 139.8 | -178.7 | -69.2 | -48.2 | 0 | 0 | 0 | 110.6 | L385 T389 | L385-H387 PolarHBondContact O-N 3.41Å; H387-T389 PolarHBondContact O-N 2.98Å |
| 388 | P | 58.6 | Low | 61.5 | Low | 69 Ų | 69 | 97.3 Ų | 97.3 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -56 | 137 | 175.6 | 23.1 | -33 | 0 | 0 | 0 | 109.3 | D296 K390 | D296-P388 WeakPolarHBondContact OD1-CB 3.31Å; P388-K390 PolarHBondContact O-N 3.15Å |
| 389 | T | 59.3 | Low | 62.9 | Low | 120 Ų | 120 | 95 Ų | 95 | 74% | 0.736 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 124.6 | 174.3 | 33.3 | 0 | 0 | 0 | 0 | 108.6 | H387 T391 | H387-T389 PolarHBondContact O-N 2.98Å; T389-T391 PolarHBondContact O-N 3.29Å |
| 390 | K | 58.8 | Low | 64.4 | Low | 209 Ų | 209 | 94.4 Ų | 94.4 | 91% | 0.909 | 50% | 0.496 | S | S | * | . | trans | -71.4 | 114.9 | 174.7 | -67.1 | -174.6 | -179.7 | -179.2 | 0 | 108.4 | P388 | P388-K390 PolarHBondContact O-N 3.15Š| ||
| 391 | T | 61.1 | Low | 65.9 | Low | 55 Ų | 55 | 92.1 Ų | 92.1 | 34% | 0.337 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -77 | 134.3 | 172.3 | 47.3 | 0 | 0 | 0 | 0 | 109.6 | K302 T389 K393 | K302-T391 PolarHBondContact O-OG1 3.19Å; T389-T391 PolarHBondContact O-N 3.29Å; T391-K393 PolarHBondContact O-N 3.32Å |
| 392 | P | 65.8 | Low | 67 | Low | 115 Ų | 115 | 86.9 Ų | 86.9 | 75% | 0.747 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 129.9 | 173.3 | 26 | -31.1 | 0 | 0 | 0 | 109.2 | P394 | P392-P394 WeakPolarHBondContact O-CD 3.42Š|
| 393 | K | 65.9 | Low | 68.2 | Low | 128 Ų | 128 | 88.9 Ų | 88.9 | 56% | 0.557 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 120.8 | 178.3 | -175.9 | 175.8 | 173.1 | 175 | 0 | 109.5 | I314 T391 E399 | I314-K393 HydrophobicContact CD1-CD 4.11Å; I314-K393 HydrophobicContact CD1-CG 3.72Å; T391-K393 PolarHBondContact O-N 3.32Å; K393-E399 WeakPolarHBondContact CE-OE1 3.24Å; K393-E399 IonicContact NZ-OE1 2.69Å; K393-E399 PolarHBondContact NZ-OE1 2.84Å |
| 394 | P | 70.3 | Confident | 69.3 | Low | 30 Ų | 30 | 90.9 Ų | 90.9 | 20% | 0.195 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 146.7 | 169.8 | 7.1 | 0.7 | 0 | 0 | 0 | 111 | D312 P392 D396 A397 | D312-P394 HydrophobicContact CB-CB 4.35Å; D312-P394 HydrophobicContact CB-CG 3.75Å; D312-P394 WeakPolarHBondContact OD2-CG 3.33Å; P392-P394 WeakPolarHBondContact O-CD 3.42Å; P394-D396 VanDerWaalsContact C-N 3.29Å; P394-D396 PolarHBondContact O-N 3.46Å; P394-A397 HydrophobicContact CB-CB 4.27Å; P394-A397 HydrophobicContact CG-CB 3.85Å |
| 395 | E | 65.8 | Low | 70.1 | Confident | 195 Ų | 195 | 92.3 Ų | 92.3 | 91% | 0.911 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -30 | -172 | -66.3 | -176 | 169.6 | 0 | 0 | 113.2 | ||
| 396 | D | 70.4 | Confident | 70.5 | Confident | 164 Ų | 164 | 96 Ų | 96 | 88% | 0.877 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 18.1 | -171.9 | -63.1 | -35.9 | 0 | 0 | 0 | 114.7 | P394 | P394-D396 VanDerWaalsContact C-N 3.29Å; P394-D396 PolarHBondContact O-N 3.46Å |
| 397 | A | 70.9 | Confident | 70.7 | Confident | 15 Ų | 15 | 96.1 Ų | 96.1 | 12% | 0.124 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -92 | 133.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D312 I314 P394 | D312-A397 HydrophobicContact CB-CB 4.12Å; D312-A397 WeakPolarHBondContact O-CA 3.02Å; D312-A397 WeakPolarHBondContact O-CB 3.32Å; I314-A397 HydrophobicContact CD1-CB 3.44Å; I314-A397 VanDerWaalsContact CD1-CB 3.44Å; I314-A397 HydrophobicContact CG1-CB 3.71Å; P394-A397 HydrophobicContact CB-CB 4.27Å; P394-A397 HydrophobicContact CG-CB 3.85Å |
| 398 | E | 78.7 | Confident | 70.5 | Confident | 128 Ų | 128 | 92.8 Ų | 92.8 | 60% | 0.598 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 134.6 | 176.2 | -172.6 | 170.4 | -178.6 | 0 | 0 | 110.8 | L313 I314 V400 | L313-E398 HydrophobicContact CD1-CB 4.37Å; I314-E398 PolarHBondContact N-O 3.35Å; E398-V400 HydrophobicContact CG-CG2 4.16Å |
| 399 | E | 78.7 | Confident | 70.1 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.2 | 178.7 | -60.3 | -167.3 | -176.6 | 0 | 0 | 110.3 | K302 I314 Y316 K393 | K302-E399 IonicContact NZ-OE1 2.72Å; K302-E399 PolarHBondContact NZ-OE1 3.33Å; K302-E399 IonicContact NZ-OE2 2.63Å; K302-E399 PolarHBondContact NZ-OE2 3.35Å; I314-E399 HydrophobicContact CB-CG 4.12Å; I314-E399 HydrophobicContact CD1-CG 4.03Å; I314-E399 HydrophobicContact CG2-CG 4.17Å; I314-E399 WeakPolarHBondContact O-CA 3.2Å; Y316-E399 HydrophobicContact CE1-CB 4.27Å; K393-E399 WeakPolarHBondContact CE-OE1 3.24Å; K393-E399 IonicContact NZ-OE1 2.69Å; K393-E399 PolarHBondContact NZ-OE1 2.84Å |
| 400 | V | 80.6 | Confident | 69.5 | Low | 26 Ų | 26 | 94.2 Ų | 94.2 | 16% | 0.158 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.3 | -179.7 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | L313 I314 Y316 V331 E398 | L313-V400 HydrophobicContact CD1-CB 4.34Å; L313-V400 HydrophobicContact CD1-CG2 3.63Å; I314-V400 PolarHBondContact O-N 2.92Å; Y316-V400 WeakPolarHBondContact CD1-O 3.39Å; Y316-V400 VanDerWaalsContact CE1-C 3.49Å; Y316-V400 PolarHBondContact N-O 3.45Å; V331-V400 HydrophobicContact CG1-CB 4.42Å; V331-V400 HydrophobicContact CG1-CG1 3.81Å; E398-V400 HydrophobicContact CG-CG2 4.16Å |
| 401 | R | 83 | Confident | 68.8 | Low | 111 Ų | 111 | 88.3 Ų | 88.3 | 42% | 0.419 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 131.6 | 174.6 | -171.1 | -178.3 | 175.6 | -178.8 | -1.2 | 109.8 | Y316 E321 | Y316-R401 HydrophobicContact CE1-CB 4.15Å; Y316-R401 HydrophobicContact CE2-CB 4.11Å; Y316-R401 HydrophobicContact CE2-CG 4.07Å; E321-R401 IonicContact OE1-CZ 2.8Å; E321-R401 IonicContact OE1-NH2 2.74Å; E321-R401 PolarHBondContact OE1-NH2 3.21Å; E321-R401 IonicContact OE2-NH2 3.87Å; E321-R401 PolarHBondContact OE2-NH2 2.87Å |
| 402 | L | 82 | Confident | 67.7 | Low | 1 Ų | 1 | 92.9 Ų | 92.9 | 1% | 0.005 | 49% | 0.491 | C | S | . | . | trans | -70.8 | 139.9 | 172.6 | -62.9 | 169 | 0 | 0 | 0 | 110.9 | F301 I315 Y316 N317 W329 V331 I349 F351 | F301-L402 HydrophobicContact CE1-CD1 3.96Å; F301-L402 HydrophobicContact CZ-CD1 3.82Å; I315-L402 HydrophobicContact CB-CD1 4.41Å; I315-L402 HydrophobicContact CB-CD2 3.93Å; I315-L402 HydrophobicContact CB-CG 4.15Å; I315-L402 HydrophobicContact CD1-CD1 4.25Å; I315-L402 HydrophobicContact CD1-CD2 4.27Å; I315-L402 HydrophobicContact CG2-CD2 4.08Å; Y316-L402 PolarHBondContact O-N 3.14Å; Y316-L402 VanDerWaalsContact O-N 3.1Å; N317-L402 HydrophobicContact CB-CD1 4.43Å; W329-L402 HydrophobicContact CD2-CB 4.28Å; W329-L402 HydrophobicContact CE3-CB 3.4Å; W329-L402 HydrophobicContact CZ3-CB 3.89Å; V331-L402 HydrophobicContact CG2-CD2 3.64Å; I349-L402 HydrophobicContact CD1-CD2 3.96Å; F351-L402 HydrophobicContact CE2-CD1 4.12Å; F351-L402 HydrophobicContact CZ-CD1 3.72Å | ||
| 403 | L | 82.9 | Confident | 66.5 | Low | 85 Ų | 85 | 92.8 Ų | 92.8 | 45% | 0.445 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.9 | 172.7 | -60.5 | 177.2 | 0 | 0 | 0 | 109.7 | W329 M330 P332 Y405 | W329-L403 CarbonylContact C-O 3.42Å; W329-L403 WeakPolarHBondContact CA-O 3.26Å; W329-L403 VanDerWaalsContact CE3-C 3.47Å; M330-L403 PolarHBondContact N-O 3.42Å; M330-L403 PolarHBondContact O-N 2.75Å; P332-L403 HydrophobicContact CG-CD1 4.02Å; L403-Y405 PolarHBondContact O-N 3.39Å |
| 404 | H | 80.4 | Confident | 65 | Low | 93 Ų | 93 | 89.7 Ų | 89.7 | 43% | 0.431 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 127.9 | 175.7 | -176.1 | -101.7 | 0 | 0 | 0 | 110 | W329 E406 | W329-H404 HydrophobicContact CD2-CB 4.45Å; W329-H404 AromaticContact CE2-CD2 3.9Å; W329-H404 HydrophobicContact CE3-CB 4.35Å; W329-H404 HydrophobicContact CH2-CB 4.44Å; W329-H404 HydrophobicContact CZ2-CB 4.44Å; W329-H404 HydrophobicContact CZ3-CB 4.38Å; W329-H404 AromaticContact NE1-CD2 3.84Å; H404-E406 WeakPolarHBondContact ND1-CG 3.49Å; H404-E406 IonicContact ND1-OE1 3.71Å; H404-E406 PolarHBondContact O-N 3Å |
| 405 | Y | 75.3 | Confident | 63.2 | Low | 65 Ų | 65 | 91.1 Ų | 91.1 | 26% | 0.255 | 51% | 0.513 | S | S | . | . | trans | -90.4 | 101.3 | 179.6 | -177.2 | -105.8 | 0 | 0 | 0 | 110.5 | V328 M330 F348 L403 T410 | V328-Y405 VanDerWaalsContact O-CB 3.3Å; V328-Y405 WeakPolarHBondContact O-CB 3.25Å; V328-Y405 PolarHBondContact O-N 2.79Å; V328-Y405 VanDerWaalsContact O-N 3.13Å; M330-Y405 HydrophobicContact CE-CD2 3.61Å; M330-Y405 HydrophobicContact CE-CE2 3.77Å; F348-Y405 HydrophobicContact CD1-CD2 4.49Å; F348-Y405 HydrophobicContact CD1-CG 4.41Å; F348-Y405 HydrophobicContact CE1-CD1 4.31Å; F348-Y405 AromaticContact CE1-CD2 3.64Å; F348-Y405 HydrophobicContact CE1-CD2 3.64Å; F348-Y405 HydrophobicContact CE1-CE1 4.38Å; F348-Y405 AromaticContact CE1-CE2 3.69Å; F348-Y405 HydrophobicContact CE1-CE2 3.69Å; F348-Y405 AromaticContact CE1-CG 3.93Å; F348-Y405 HydrophobicContact CE1-CG 3.93Å; F348-Y405 HydrophobicContact CZ-CE2 4.17Å; L403-Y405 PolarHBondContact O-N 3.39Å; Y405-T410 HydrophobicContact CE2-CG2 4.17Å; Y405-T410 PolarHBondContact OH-OG1 3.25Å | ||
| 406 | E | 71.7 | Confident | 62 | Low | 102 Ų | 102 | 88.3 Ų | 88.3 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | trans | -89.5 | 114.9 | 167 | -64.7 | -172.1 | -173.1 | 0 | 0 | 110.2 | H404 S408 H409 | H404-E406 WeakPolarHBondContact ND1-CG 3.49Å; H404-E406 IonicContact ND1-OE1 3.71Å; H404-E406 PolarHBondContact O-N 3Å; E406-S408 WeakPolarHBondContact CB-OG 3.44Å; E406-S408 PolarHBondContact O-N 3.13Å; E406-H409 PolarHBondContact O-N 3.22Å; E406-H409 VanDerWaalsContact O-N 3.09Å | ||
| 407 | S | 65.2 | Low | 60.3 | Low | 87 Ų | 87 | 83.4 Ų | 83.4 | 61% | 0.608 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -16.6 | 176.8 | -56.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 408 | S | 54.9 | Low | 58.7 | Low | 70 Ų | 70 | 90.6 Ų | 90.6 | 49% | 0.49 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -22 | 179.2 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | E406 | E406-S408 WeakPolarHBondContact CB-OG 3.44Å; E406-S408 PolarHBondContact O-N 3.13Å |
| 409 | H | 50 | Low | 56.7 | Low | 135 Ų | 135 | 95.3 Ų | 95.3 | 63% | 0.625 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -9.9 | -172.2 | -81 | -37.1 | 0 | 0 | 0 | 116 | E406 V413 | E406-H409 PolarHBondContact O-N 3.22Å; E406-H409 VanDerWaalsContact O-N 3.09Å; H409-V413 WeakPolarHBondContact O-CG2 3.44Å |
| 410 | T | 47.3 | Very low | 54.5 | Low | 84 Ų | 84 | 103 Ų | 103 | 52% | 0.515 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.5 | -13.4 | 174.6 | 51 | 0 | 0 | 0 | 0 | 113.7 | Y405 N412 | Y405-T410 HydrophobicContact CE2-CG2 4.17Å; Y405-T410 PolarHBondContact OH-OG1 3.25Å; T410-N412 VanDerWaalsContact C-N 3.28Å; T410-N412 PolarHBondContact O-N 3.05Å |
| 411 | A | 43.4 | Very low | 52.4 | Low | 85 Ų | 85 | 110.3 Ų | 110.3 | 70% | 0.702 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -76.3 | -14.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 412 | N | 38 | Very low | 50.2 | Low | 151 Ų | 151 | 108.6 Ų | 108.6 | 81% | 0.807 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -126 | 4.2 | -174.8 | -112.7 | -1.4 | 0 | 0 | 0 | 115.4 | T410 G414 | T410-N412 VanDerWaalsContact C-N 3.28Å; T410-N412 PolarHBondContact O-N 3.05Å; N412-G414 PolarHBondContact O-N 3.21Å; N412-G414 VanDerWaalsContact O-N 3.15Å |
| 413 | V | 40.4 | Very low | 48.4 | Very low | 114 Ų | 114 | 119.3 Ų | 119.3 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | trans | -86.1 | 75 | 156.4 | -176.3 | 0 | 0 | 0 | 0 | 106.6 | H409 G415 | H409-V413 WeakPolarHBondContact O-CG2 3.44Å; V413-G415 PolarHBondContact O-N 2.98Å | ||
| 414 | G | 35.6 | Very low | 46.5 | Very low | 63 Ų | 63 | 124.1 Ų | 124.1 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | trans | -48.2 | 130.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108 | N412 | N412-G414 PolarHBondContact O-N 3.21Å; N412-G414 VanDerWaalsContact O-N 3.15Å | ||
| 415 | G | 32.5 | Very low | 44.6 | Very low | 59 Ų | 59 | 127.1 Ų | 127.1 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -47.3 | 151.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V413 G417 | V413-G415 PolarHBondContact O-N 2.98Å; G415-G417 VanDerWaalsContact C-N 3.29Å; G415-G417 PolarHBondContact O-N 3.26Å | ||
| 416 | P | 39.3 | Very low | 43.1 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -62.2 | 101.6 | 174.5 | 13 | -6.9 | 0 | 0 | 0 | 107 | N418 | P416-N418 PolarHBondContact O-N 2.85Š| ||
| 417 | G | 36.3 | Very low | 41.9 | Very low | 61 Ų | 61 | 136.4 Ų | 136.4 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | trans | -56 | 114.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | G415 R419 | G415-G417 VanDerWaalsContact C-N 3.29Å; G415-G417 PolarHBondContact O-N 3.26Å; G417-R419 PolarHBondContact O-N 2.99Å | ||
| 418 | N | 36.1 | Very low | 40.9 | Very low | 167 Ų | 167 | 142 Ų | 142 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | 38.2 | 50.1 | 138.2 | -135.1 | 21.6 | 0 | 0 | 0 | 114.9 | P416 R420 | P416-N418 PolarHBondContact O-N 2.85Å; N418-R420 PolarHBondContact O-N 2.95Å | ||
| 419 | R | 37.3 | Very low | 40.2 | Very low | 227 Ų | 227 | 146.9 Ų | 146.9 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -94.2 | 94.6 | 170.2 | -118.8 | -178.6 | -165.5 | 175.8 | 5 | 107.2 | G417 E421 | G417-R419 PolarHBondContact O-N 2.99Å; R419-E421 PolarHBondContact O-N 3.29Å | ||
| 420 | R | 33.5 | Very low | 39.7 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -48.3 | 105.6 | 159.1 | -81.9 | 172.6 | 162.2 | 175.3 | -7.5 | 108.5 | N418 | N418-R420 PolarHBondContact O-N 2.95Š| ||
| 421 | E | 35.7 | Very low | 39.2 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -97.2 | 113.2 | 158.8 | -82.6 | 173.3 | 171.6 | 0 | 0 | 107.5 | R419 | R419-E421 PolarHBondContact O-N 3.29Š| ||
| 422 | A | 36.8 | Very low | 39.1 | Very low | 75 Ų | 75 | 147.4 Ų | 147.4 | 62% | 0.62 | 81% | 0.809 | S | S | * | * | trans | -65.3 | 163.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 423 | Y | 44.6 | Very low | 39 | Very low | 226 Ų | 226 | 143.5 Ų | 143.5 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | trans | 105 | 82.5 | 171.3 | -52.8 | -62.6 | 0 | 0 | 0 | 114.9 | ||||
| 424 | M | 42.9 | Very low | 39.1 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | 178.7 | 108.5 | 117.1 | -89 | -62.8 | -168.8 | 0 | 0 | 107.2 | |||||
| 425 | D | 39.7 | Very low | 39.5 | Very low | 156 Ų | 156 | 153 Ų | 153 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | -59.6 | 133 | 168.8 | -71.7 | -57.8 | 0 | 0 | 0 | 110.3 | ||||
| 426 | E | 43.8 | Very low | 39.9 | Very low | 177 Ų | 177 | 153.5 Ų | 153.5 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | 168.4 | 106.1 | 125.4 | -87.8 | 174.3 | -164.9 | 0 | 0 | 110.9 | |||||
| 427 | E | 47.2 | Very low | 40.2 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 87.7 | 122.4 | 145.9 | -53.9 | -171.5 | 169.6 | 0 | 0 | 122.3 | ||
| 428 | E | 42.8 | Very low | 40.2 | Very low | 204 Ų | 204 | 161.5 Ų | 161.5 | 95% | 0.953 | 84% | 0.843 | S | S | * | * | trans | 83.5 | 94.9 | 164 | -70.2 | -170.4 | 155.3 | 0 | 0 | 120.5 | ||||
| 429 | D | 40.1 | Very low | 41.2 | Very low | 174 Ų | 174 | 160 Ų | 160 | 93% | 0.93 | 84% | 0.84 | S | S | * | * | trans | -110.4 | 153.5 | -178.2 | -158.9 | -0.2 | 0 | 0 | 0 | 111.8 | ||||
| 430 | G | 40.1 | Very low | 41.7 | Very low | 74 Ų | 74 | 157.6 Ų | 157.6 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | trans | 116.4 | 110.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 431 | G | 36.9 | Very low | 42.2 | Very low | 70 Ų | 70 | 152.5 Ų | 152.5 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | cis | 133 | 135.8 | 17.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 432 | N | 42.3 | Very low | 43.6 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 91% | 0.914 | 84% | 0.838 | S | S | * | * | trans | 76.5 | 124.8 | 172.4 | -65.5 | 3 | 0 | 0 | 0 | 117.8 | ||||
| 433 | G | 35.4 | Very low | 44.5 | Very low | 69 Ų | 69 | 154.3 Ų | 154.3 | 71% | 0.711 | 85% | 0.851 | S | S | * | * | cis | 101.5 | 98.2 | 17 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 434 | M | 42.8 | Very low | 45 | Very low | 181 Ų | 181 | 156.2 Ų | 156.2 | 89% | 0.892 | 87% | 0.868 | S | S | * | * | trans | -160.6 | 147.8 | 156 | -118.3 | 157 | 98.4 | 0 | 0 | 113.5 | ||||
| 435 | H | 43.8 | Very low | 45.1 | Very low | 196 Ų | 196 | 154.8 Ų | 154.8 | 91% | 0.907 | 87% | 0.865 | S | S | * | * | trans | -86 | 167.4 | -159.8 | -84.3 | -102.4 | 0 | 0 | 0 | 116.2 | ||||
| 436 | G | 40.8 | Very low | 45.4 | Very low | 69 Ų | 69 | 154.7 Ų | 154.7 | 71% | 0.711 | 87% | 0.867 | S | S | * | * | trans | 101.7 | 132.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 437 | S | 45 | Very low | 45.5 | Very low | 119 Ų | 119 | 153.4 Ų | 153.4 | 83% | 0.832 | 87% | 0.869 | S | S | * | * | cis | -158.5 | 139.5 | 25.1 | -76.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 438 | R | 37.4 | Very low | 45.4 | Very low | 246 Ų | 246 | 151.6 Ų | 151.6 | 93% | 0.928 | 87% | 0.869 | S | S | * | * | trans | -96 | 124.8 | 167.1 | 179.3 | -179.7 | -175.7 | 174 | 1 | 107.3 | ||||
| 439 | V | 57 | Low | 45.5 | Very low | 136 Ų | 136 | 148.3 Ų | 148.3 | 82% | 0.824 | 86% | 0.864 | S | S | * | * | trans | -120.7 | 138.1 | 171 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 440 | Q | 46.9 | Very low | 45.9 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 86% | 0.86 | S | S | * | * | trans | -82.2 | 153.5 | -166.3 | -66.5 | 162.9 | -39.8 | 0 | 0 | 113 | ||||
| 441 | C | 44.6 | Very low | 46.3 | Very low | 133 Ų | 133 | 151.8 Ų | 151.8 | 90% | 0.899 | 87% | 0.867 | S | S | * | * | trans | -75.4 | 141.3 | 162.3 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 442 | A | 64.4 | Low | 47 | Very low | 102 Ų | 102 | 158.1 Ų | 158.1 | 84% | 0.843 | 88% | 0.878 | S | S | * | * | trans | -139.6 | 123.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 443 | H | 56.3 | Low | 47.4 | Very low | 191 Ų | 191 | 157 Ų | 157 | 88% | 0.884 | 88% | 0.875 | S | S | * | * | trans | -73 | 136.5 | 169 | -93.8 | -82.2 | 0 | 0 | 0 | 110.6 | ||||
| 444 | Q | 54.9 | Low | 48.5 | Very low | 266 Ų | 266 | 165 Ų | 165 | 100% | 1.243 | 89% | 0.89 | S | S | * | * | -152.2 | 0 | 129.1 | -107.4 | 177.6 | 31 | 0 | 0 | 108.7 |
Retrieved 444 of 444 residues in 256.3 ms
(Link to these results)