| 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 | 29.9 | Very low | 58.9 | Low | 245 Ų | 245 | 122.5 Ų | 122.5 | 100% | 1.207 | 62% | 0.623 | S | S | * | * | 0 | 101.9 | 0 | -92.6 | 168.6 | 160.2 | 0 | 0 | 108.2 | |||||
| 2 | V | 35.6 | Very low | 60.4 | Low | 130 Ų | 130 | 112.8 Ų | 112.8 | 79% | 0.788 | 58% | 0.575 | S | S | * | * | trans | -76.7 | 132.2 | 168 | -179.6 | 0 | 0 | 0 | 0 | 106.1 | L4 | V2-L4 PolarHBondContact O-N 3.16Š| ||
| 3 | P | 42.3 | Very low | 61.9 | Low | 102 Ų | 102 | 110.8 Ų | 110.8 | 66% | 0.662 | 57% | 0.567 | S | S | * | * | trans | -57.7 | 133 | -177.9 | 22.2 | -32.5 | 0 | 0 | 0 | 110.6 | R5 | P3-R5 PolarHBondContact O-N 3.04Š| ||
| 4 | L | 43 | Very low | 63.4 | Low | 147 Ų | 147 | 112.4 Ų | 112.4 | 77% | 0.77 | 57% | 0.571 | S | S | * | * | trans | -57 | 104 | 174.2 | -70.3 | 166.5 | 0 | 0 | 0 | 108.3 | V2 I6 | V2-L4 PolarHBondContact O-N 3.16Å; L4-I6 PolarHBondContact O-N 3.24Å | ||
| 5 | R | 58.7 | Low | 64.4 | Low | 148 Ų | 148 | 107.2 Ų | 107.2 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | trans | -80.7 | 112.7 | 175.2 | -70.6 | -172.4 | 179.5 | -170.9 | -1.9 | 108.1 | P3 T75 F76 | P3-R5 PolarHBondContact O-N 3.04Å; R5-T75 PolarHBondContact O-OG1 3.39Å; R5-F76 HydrophobicContact CB-CE1 4.39Å | ||
| 6 | I | 66 | Low | 65.3 | Low | 131 Ų | 131 | 100.8 Ų | 100.8 | 67% | 0.672 | 51% | 0.513 | S | S | * | . | trans | -63.2 | 141 | 167.2 | -60.8 | 167.7 | 0 | 0 | 0 | 107.3 | L4 D8 | L4-I6 PolarHBondContact O-N 3.24Å; I6-D8 PolarHBondContact O-N 3.22Å | ||
| 7 | Y | 68.7 | Low | 66.2 | Low | 21 Ų | 21 | 100.1 Ų | 100.1 | 8% | 0.082 | 51% | 0.509 | C | S | . | . | trans | -72.2 | 116.6 | 177 | 175.7 | -99.9 | 0 | 0 | 0 | 108.9 | P9 A12 V43 E45 E52 F76 | Y7-P9 HydrophobicContact CE1-CB 4.19Å; Y7-A12 HydrophobicContact CE2-CB 3.95Å; Y7-V43 HydrophobicContact CD2-CG1 4.37Å; Y7-V43 HydrophobicContact CE2-CG1 4.16Å; Y7-E45 HydrophobicContact CD1-CB 3.75Å; Y7-E45 HydrophobicContact CD1-CG 3.86Å; Y7-E45 HydrophobicContact CE1-CB 3.74Å; Y7-E45 HydrophobicContact CE1-CG 4.31Å; Y7-E45 HydrophobicContact CG-CB 4.29Å; Y7-E45 HydrophobicContact CG-CG 4.38Å; Y7-E52 PolarHBondContact OH-O 3.18Å; Y7-F76 HydrophobicContact CD2-CB 3.85Å; Y7-F76 HydrophobicContact CG-CB 4.4Å | ||
| 8 | D | 73.1 | Confident | 67.2 | Low | 64 Ų | 64 | 97.9 Ų | 97.9 | 34% | 0.342 | 50% | 0.504 | S | S | . | . | trans | -106.8 | 117.8 | 171.4 | -77.9 | -17.3 | 0 | 0 | 0 | 107.6 | I6 E10 K11 A12 | I6-D8 PolarHBondContact O-N 3.22Å; D8-E10 VanDerWaalsContact C-N 3.32Å; D8-E10 PolarHBondContact O-N 3.46Å; D8-K11 HydrophobicContact CB-CB 4.06Å; D8-K11 HydrophobicContact CB-CD 4.15Å; D8-K11 HydrophobicContact CB-CG 4.17Å; D8-K11 PolarHBondContact O-N 3.11Å; D8-K11 VanDerWaalsContact O-N 3.12Å; D8-K11 IonicContact OD2-NZ 3.43Å; D8-K11 PolarHBondContact OD2-NZ 2.99Å; D8-A12 PolarHBondContact O-N 3.33Å; D8-A12 VanDerWaalsContact O-N 3.13Å | ||
| 9 | P | 73.4 | Confident | 67.9 | Low | 70 Ų | 70 | 95.3 Ų | 95.3 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -61.4 | -39.4 | -177.5 | 22.7 | -32.3 | 0 | 0 | 0 | 112.2 | Y7 K11 A12 | Y7-P9 HydrophobicContact CE1-CB 4.19Å; P9-K11 PolarHBondContact O-N 2.95Å; P9-A12 WeakPolarHBondContact O-CB 3.18Å; P9-A12 PolarHBondContact O-N 3.36Å; P9-A12 VanDerWaalsContact O-N 3.17Å |
| 10 | E | 79 | Confident | 68.6 | Low | 185 Ų | 185 | 91.9 Ų | 91.9 | 86% | 0.864 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -63.6 | -24.7 | 178 | -62.4 | -175 | 165.7 | 0 | 0 | 113.3 | D8 | D8-E10 VanDerWaalsContact C-N 3.32Å; D8-E10 PolarHBondContact O-N 3.46Å |
| 11 | K | 78.7 | Confident | 69.2 | Low | 104 Ų | 104 | 94.9 Ų | 94.9 | 45% | 0.452 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -104.3 | 2.5 | -179.4 | -58.6 | 178.8 | -168.1 | 143.7 | 0 | 112.8 | D8 P9 D13 E14 L15 | D8-K11 HydrophobicContact CB-CB 4.06Å; D8-K11 HydrophobicContact CB-CD 4.15Å; D8-K11 HydrophobicContact CB-CG 4.17Å; D8-K11 PolarHBondContact O-N 3.11Å; D8-K11 VanDerWaalsContact O-N 3.12Å; D8-K11 IonicContact OD2-NZ 3.43Å; D8-K11 PolarHBondContact OD2-NZ 2.99Å; P9-K11 PolarHBondContact O-N 2.95Å; K11-D13 VanDerWaalsContact C-N 3.28Å; K11-D13 PolarHBondContact O-N 3.4Å; K11-E14 PolarHBondContact O-N 3.25Å; K11-L15 WeakPolarHBondContact O-CB 3.47Å; K11-L15 WeakPolarHBondContact O-CG 3.43Å; K11-L15 PolarHBondContact O-N 3.16Å |
| 12 | A | 76.6 | Confident | 71.6 | Confident | 6 Ų | 6 | 85.7 Ų | 85.7 | 5% | 0.05 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.9 | -39.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y7 D8 P9 L15 A16 | Y7-A12 HydrophobicContact CE2-CB 3.95Å; D8-A12 PolarHBondContact O-N 3.33Å; D8-A12 VanDerWaalsContact O-N 3.13Å; P9-A12 WeakPolarHBondContact O-CB 3.18Å; P9-A12 PolarHBondContact O-N 3.36Å; P9-A12 VanDerWaalsContact O-N 3.17Å; A12-L15 PolarHBondContact O-N 3.46Å; A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.45Å |
| 13 | D | 79.3 | Confident | 73.7 | Confident | 87 Ų | 87 | 81.3 Ų | 81.3 | 47% | 0.465 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.3 | -43.8 | 177.2 | -171.9 | 49.5 | 0 | 0 | 0 | 112.2 | K11 L15 A16 M17 | K11-D13 VanDerWaalsContact C-N 3.28Å; K11-D13 PolarHBondContact O-N 3.4Å; D13-L15 VanDerWaalsContact C-N 3.3Å; D13-L15 PolarHBondContact O-N 3.42Å; D13-A16 PolarHBondContact O-N 2.84Å; D13-M17 WeakPolarHBondContact O-CB 3.14Å; D13-M17 WeakPolarHBondContact O-CG 3.42Å; D13-M17 PolarHBondContact O-N 3.33Å |
| 14 | E | 82.9 | Confident | 75.3 | Confident | 133 Ų | 133 | 83.2 Ų | 83.2 | 62% | 0.621 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 176.1 | -64.2 | -170.7 | 163.1 | 0 | 0 | 112.1 | K11 S18 | K11-E14 PolarHBondContact O-N 3.25Å; E14-S18 VanDerWaalsContact O-CB 3.26Å; E14-S18 WeakPolarHBondContact O-CB 3.14Å; E14-S18 PolarHBondContact O-N 3.38Å |
| 15 | L | 78.8 | Confident | 77.1 | Confident | 35 Ų | 35 | 82.6 Ų | 82.6 | 18% | 0.183 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 174.3 | -74.1 | 170.3 | 0 | 0 | 0 | 111 | K11 A12 D13 M17 S18 V19 | K11-L15 WeakPolarHBondContact O-CB 3.47Å; K11-L15 WeakPolarHBondContact O-CG 3.43Å; K11-L15 PolarHBondContact O-N 3.16Å; A12-L15 PolarHBondContact O-N 3.46Å; D13-L15 VanDerWaalsContact C-N 3.3Å; D13-L15 PolarHBondContact O-N 3.42Å; L15-M17 PolarHBondContact O-N 3.24Å; L15-S18 WeakPolarHBondContact O-CB 3.37Å; L15-S18 PolarHBondContact O-N 2.64Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 2.97Å |
| 16 | A | 79.2 | Confident | 78.1 | Confident | 5 Ų | 5 | 84.8 Ų | 84.8 | 4% | 0.041 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A12 D13 S18 V19 V20 V43 | A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.45Å; D13-A16 PolarHBondContact O-N 2.84Å; A16-S18 PolarHBondContact O-N 3.01Å; A16-V19 PolarHBondContact O-N 2.8Å; A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.33Å; A16-V20 PolarHBondContact O-N 3.17Å; A16-V43 HydrophobicContact CB-CG2 4.06Å |
| 17 | M | 80.7 | Confident | 78.4 | Confident | 88 Ų | 88 | 80.4 Ų | 80.4 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 175.8 | -78.9 | -165.6 | 138.1 | 0 | 0 | 113 | D13 L15 V20 R21 | D13-M17 WeakPolarHBondContact O-CB 3.14Å; D13-M17 WeakPolarHBondContact O-CG 3.42Å; D13-M17 PolarHBondContact O-N 3.33Å; L15-M17 PolarHBondContact O-N 3.24Å; M17-V20 PolarHBondContact O-N 3.25Å; M17-R21 VanDerWaalsContact O-CG 3.32Å; M17-R21 WeakPolarHBondContact O-CG 3.39Å; M17-R21 PolarHBondContact O-N 3.36Å; M17-R21 PolarHBondContact SD-NH2 3.24Å; M17-R21 VanDerWaalsContact SD-NH2 3.41Å |
| 18 | S | 83.5 | Confident | 78.6 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 43% | 0.427 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | E14 L15 A16 R21 A22 | E14-S18 VanDerWaalsContact O-CB 3.26Å; E14-S18 WeakPolarHBondContact O-CB 3.14Å; E14-S18 PolarHBondContact O-N 3.38Å; L15-S18 WeakPolarHBondContact O-CB 3.37Å; L15-S18 PolarHBondContact O-N 2.64Å; A16-S18 PolarHBondContact O-N 3.01Å; S18-R21 PolarHBondContact O-N 3.07Å; S18-A22 WeakPolarHBondContact O-CB 3.27Å; S18-A22 PolarHBondContact O-N 3.14Å |
| 19 | V | 81.7 | Confident | 78.7 | Confident | 48 Ų | 48 | 89 Ų | 89 | 29% | 0.291 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | L15 A16 R21 A22 V23 V80 | L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 2.97Å; A16-V19 PolarHBondContact O-N 2.8Å; V19-R21 VanDerWaalsContact C-N 3.33Å; V19-R21 PolarHBondContact O-N 2.75Å; V19-A22 PolarHBondContact O-N 2.95Å; V19-V23 HydrophobicContact CG1-CG2 4.24Å; V19-V23 VanDerWaalsContact O-CG2 3.3Å; V19-V23 WeakPolarHBondContact O-CG2 3.41Å; V19-V23 PolarHBondContact O-N 3.35Å; V19-V80 HydrophobicContact CG1-CG2 3.76Å |
| 20 | V | 80.3 | Confident | 78.4 | Confident | 28 Ų | 28 | 87.9 Ų | 87.9 | 17% | 0.17 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 177.1 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | A16 M17 V23 R24 V39 C41 | A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.33Å; A16-V20 PolarHBondContact O-N 3.17Å; M17-V20 PolarHBondContact O-N 3.25Å; V20-V23 PolarHBondContact O-N 3.11Å; V20-R24 VanDerWaalsContact O-CB 3.23Å; V20-R24 WeakPolarHBondContact O-CB 3.42Å; V20-R24 PolarHBondContact O-N 2.97Å; V20-V39 HydrophobicContact CG1-CB 4.31Å; V20-V39 HydrophobicContact CG1-CG1 4.41Å; V20-V39 HydrophobicContact CG2-CG1 4.42Å; V20-C41 HydrophobicContact CG2-CB 3.33Å |
| 21 | R | 81 | Confident | 77.3 | Confident | 154 Ų | 154 | 86 Ų | 86 | 58% | 0.581 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 178.1 | -72.2 | -178.1 | -152.5 | 120.7 | 1.8 | 112 | M17 S18 V19 K25 | M17-R21 VanDerWaalsContact O-CG 3.32Å; M17-R21 WeakPolarHBondContact O-CG 3.39Å; M17-R21 PolarHBondContact O-N 3.36Å; M17-R21 PolarHBondContact SD-NH2 3.24Å; M17-R21 VanDerWaalsContact SD-NH2 3.41Å; S18-R21 PolarHBondContact O-N 3.07Å; V19-R21 VanDerWaalsContact C-N 3.33Å; V19-R21 PolarHBondContact O-N 2.75Å; R21-K25 WeakPolarHBondContact O-CB 3.4Å; R21-K25 PolarHBondContact O-N 3.18Å |
| 22 | A | 81.9 | Confident | 76.4 | Confident | 52 Ų | 52 | 84.1 Ų | 84.1 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S18 V19 K25 R26 | S18-A22 WeakPolarHBondContact O-CB 3.27Å; S18-A22 PolarHBondContact O-N 3.14Å; V19-A22 PolarHBondContact O-N 2.95Å; A22-K25 PolarHBondContact O-N 2.88Å; A22-R26 PolarHBondContact O-N 3.45Å; A22-R26 VanDerWaalsContact O-N 3.1Å |
| 23 | V | 79 | Confident | 75.5 | Confident | 39 Ų | 39 | 92.6 Ų | 92.6 | 24% | 0.236 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 177.1 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | V19 V20 K25 R26 L27 V39 V80 | V19-V23 HydrophobicContact CG1-CG2 4.24Å; V19-V23 VanDerWaalsContact O-CG2 3.3Å; V19-V23 WeakPolarHBondContact O-CG2 3.41Å; V19-V23 PolarHBondContact O-N 3.35Å; V20-V23 PolarHBondContact O-N 3.11Å; V23-K25 VanDerWaalsContact C-N 3.31Å; V23-K25 PolarHBondContact O-N 2.85Å; V23-R26 PolarHBondContact O-N 3.43Å; V23-L27 HydrophobicContact CG1-CD1 3.88Å; V23-L27 HydrophobicContact CG1-CG 4.29Å; V23-L27 WeakPolarHBondContact O-CG 3.24Å; V23-L27 PolarHBondContact O-N 2.81Å; V23-V39 HydrophobicContact CB-CG1 4.15Å; V23-V39 HydrophobicContact CG1-CG1 3.8Å; V23-V39 HydrophobicContact CG1-CG2 4.1Å; V23-V80 HydrophobicContact CG1-CG1 4.25Å; V23-V80 HydrophobicContact CG2-CG1 4.19Å |
| 24 | R | 75.7 | Confident | 74.7 | Confident | 141 Ų | 141 | 92.6 Ų | 92.6 | 53% | 0.532 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 177.1 | -171.8 | 177.8 | -175.5 | -176.8 | 0.9 | 112.7 | V20 K28 | V20-R24 VanDerWaalsContact O-CB 3.23Å; V20-R24 WeakPolarHBondContact O-CB 3.42Å; V20-R24 PolarHBondContact O-N 2.97Å; R24-K28 WeakPolarHBondContact O-CG 3.27Å; R24-K28 PolarHBondContact O-N 3.4Å; R24-K28 VanDerWaalsContact O-N 3.08Å |
| 25 | K | 80.1 | Confident | 73.7 | Confident | 135 Ų | 135 | 88.2 Ų | 88.2 | 59% | 0.587 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 176.2 | -176.3 | 177.8 | 174.5 | -177.1 | 0 | 111 | R21 A22 V23 K28 E29 | R21-K25 WeakPolarHBondContact O-CB 3.4Å; R21-K25 PolarHBondContact O-N 3.18Å; A22-K25 PolarHBondContact O-N 2.88Å; V23-K25 VanDerWaalsContact C-N 3.31Å; V23-K25 PolarHBondContact O-N 2.85Å; K25-K28 PolarHBondContact O-N 3.42Å; K25-E29 WeakPolarHBondContact CE-OE1 3.4Å; K25-E29 WeakPolarHBondContact O-CG 3.04Å; K25-E29 PolarHBondContact O-N 2.75Å |
| 26 | R | 80 | Confident | 73 | Confident | 193 Ų | 193 | 92.1 Ų | 92.1 | 73% | 0.728 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 177.2 | -70.4 | -177.7 | 177.4 | -161.8 | -0.5 | 112.7 | A22 V23 K28 E29 S30 | A22-R26 PolarHBondContact O-N 3.45Å; A22-R26 VanDerWaalsContact O-N 3.1Å; V23-R26 PolarHBondContact O-N 3.43Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.35Å; R26-E29 PolarHBondContact O-N 2.83Å; R26-S30 PolarHBondContact O-N 2.92Å |
| 27 | L | 72.6 | Confident | 72.3 | Confident | 39 Ų | 39 | 93.8 Ų | 93.8 | 20% | 0.204 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 176.1 | -72.7 | 173.1 | 0 | 0 | 0 | 111.7 | V23 S30 F37 V39 A82 | V23-L27 HydrophobicContact CG1-CD1 3.88Å; V23-L27 HydrophobicContact CG1-CG 4.29Å; V23-L27 WeakPolarHBondContact O-CG 3.24Å; V23-L27 PolarHBondContact O-N 2.81Å; L27-S30 PolarHBondContact O-N 3.44Å; L27-S30 PolarHBondContact O-OG 2.77Å; L27-F37 HydrophobicContact CB-CD2 4.12Å; L27-F37 HydrophobicContact CB-CE2 4.19Å; L27-F37 HydrophobicContact CB-CG 4.26Å; L27-F37 HydrophobicContact CB-CZ 4.4Å; L27-F37 HydrophobicContact CD1-CB 4.18Å; L27-F37 HydrophobicContact CD1-CD1 4.09Å; L27-F37 HydrophobicContact CD1-CG 4.09Å; L27-F37 HydrophobicContact CD2-CD1 4.48Å; L27-F37 HydrophobicContact CD2-CE1 4.32Å; L27-V39 HydrophobicContact CD1-CG2 3.67Å; L27-A82 HydrophobicContact CD1-CB 4.14Å |
| 28 | K | 72.6 | Confident | 71.7 | Confident | 132 Ų | 132 | 90.9 Ų | 90.9 | 57% | 0.574 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.4 | -32.5 | 174.5 | -76.5 | -177.7 | 176.3 | -171.5 | 0 | 114.1 | R24 K25 R26 | R24-K28 WeakPolarHBondContact O-CG 3.27Å; R24-K28 PolarHBondContact O-N 3.4Å; R24-K28 VanDerWaalsContact O-N 3.08Å; K25-K28 PolarHBondContact O-N 3.42Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.35Å |
| 29 | E | 75.1 | Confident | 71.1 | Confident | 135 Ų | 135 | 89 Ų | 89 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -75.3 | -28.2 | 176.8 | -73.3 | 168.3 | -176.3 | 0 | 0 | 111.6 | K25 R26 | K25-E29 WeakPolarHBondContact CE-OE1 3.4Å; K25-E29 WeakPolarHBondContact O-CG 3.04Å; K25-E29 PolarHBondContact O-N 2.75Å; R26-E29 PolarHBondContact O-N 2.83Å |
| 30 | S | 67.4 | Low | 70.6 | Confident | 46 Ų | 46 | 88.9 Ų | 88.9 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -66.7 | 152.5 | 172 | 81.2 | 0 | 0 | 0 | 0 | 111.6 | R26 L27 M32 | R26-S30 PolarHBondContact O-N 2.92Å; L27-S30 PolarHBondContact O-N 3.44Å; L27-S30 PolarHBondContact O-OG 2.77Å; S30-M32 PolarHBondContact O-N 2.65Å |
| 31 | T | 55.9 | Low | 70.4 | Confident | 145 Ų | 145 | 87.6 Ų | 87.6 | 89% | 0.89 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -59 | 3.5 | -169.8 | -40.8 | 0 | 0 | 0 | 0 | 115.7 | K33 | T31-K33 VanDerWaalsContact C-N 3.33Å; T31-K33 PolarHBondContact O-N 3.06Å |
| 32 | M | 60.8 | Low | 70.1 | Confident | 65 Ų | 65 | 81.7 Ų | 81.7 | 32% | 0.32 | 39% | 0.392 | S | S | . | . | trans | -90.8 | 52.3 | -176.7 | -63.3 | -86.2 | -83.7 | 0 | 0 | 111.6 | S30 D34 Y35 F37 | S30-M32 PolarHBondContact O-N 2.65Å; M32-D34 PolarHBondContact O-N 2.88Å; M32-D34 VanDerWaalsContact O-N 3.14Å; M32-Y35 HydrophobicContact CB-CD2 3.72Å; M32-Y35 HydrophobicContact CB-CE2 4.32Å; M32-Y35 HydrophobicContact CE-CD1 4.22Å; M32-Y35 HydrophobicContact CE-CD2 3.57Å; M32-Y35 HydrophobicContact CE-CE1 4.16Å; M32-Y35 HydrophobicContact CE-CE2 3.46Å; M32-Y35 VanDerWaalsContact CE-CE2 3.46Å; M32-Y35 HydrophobicContact CE-CG 3.93Å; M32-Y35 HydrophobicContact CG-CD2 4.27Å; M32-Y35 HydrophobicContact CG-CE2 4.45Å; M32-Y35 PolarHBondContact O-N 3.46Å; M32-Y35 HydrophobicContact SD-CD2 3.63Å; M32-Y35 HydrophobicContact SD-CE2 3.28Å; M32-Y35 WeakPolarHBondContact SD-CE2 3.38Å; M32-F37 HydrophobicContact CB-CE2 4.36Å; M32-F37 HydrophobicContact CB-CZ 3.58Å; M32-F37 HydrophobicContact CE-CE1 4.48Å; M32-F37 HydrophobicContact CG-CZ 4.43Å | ||
| 33 | K | 57.8 | Low | 69.8 | Low | 183 Ų | 183 | 79.5 Ų | 79.5 | 80% | 0.796 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.4 | -175.1 | -69.4 | -176.6 | -179.6 | 178.1 | 0 | 114.6 | T31 | T31-K33 VanDerWaalsContact C-N 3.33Å; T31-K33 PolarHBondContact O-N 3.06Å |
| 34 | D | 62 | Low | 69.5 | Low | 87 Ų | 87 | 81.1 Ų | 81.1 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.3 | -173 | -57.9 | -35.4 | 0 | 0 | 0 | 113.7 | M32 P87 R111 | M32-D34 PolarHBondContact O-N 2.88Å; M32-D34 VanDerWaalsContact O-N 3.14Å; D34-P87 WeakPolarHBondContact O-CD 3.4Å; D34-P87 WeakPolarHBondContact O-CG 3.48Å; D34-R111 IonicContact OD2-NH1 2.66Å |
| 35 | Y | 61.9 | Low | 69.4 | Low | 41 Ų | 41 | 79 Ų | 79 | 16% | 0.161 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -94.8 | 143.2 | -175.9 | -71.5 | -91.4 | 0 | 0 | 0 | 112.4 | M32 F37 D84 L86 | M32-Y35 HydrophobicContact CB-CD2 3.72Å; M32-Y35 HydrophobicContact CB-CE2 4.32Å; M32-Y35 HydrophobicContact CE-CD1 4.22Å; M32-Y35 HydrophobicContact CE-CD2 3.57Å; M32-Y35 HydrophobicContact CE-CE1 4.16Å; M32-Y35 HydrophobicContact CE-CE2 3.46Å; M32-Y35 VanDerWaalsContact CE-CE2 3.46Å; M32-Y35 HydrophobicContact CE-CG 3.93Å; M32-Y35 HydrophobicContact CG-CD2 4.27Å; M32-Y35 HydrophobicContact CG-CE2 4.45Å; M32-Y35 PolarHBondContact O-N 3.46Å; M32-Y35 HydrophobicContact SD-CD2 3.63Å; M32-Y35 HydrophobicContact SD-CE2 3.28Å; M32-Y35 WeakPolarHBondContact SD-CE2 3.38Å; Y35-F37 HydrophobicContact CG-CZ 4.48Å; Y35-D84 HydrophobicContact CD1-CB 3.84Å; Y35-D84 HydrophobicContact CE1-CB 4.44Å; Y35-D84 HydrophobicContact CG-CB 4.42Å; Y35-L86 HydrophobicContact CE1-CD2 4.24Å |
| 36 | K | 62.9 | Low | 68.8 | Low | 118 Ų | 118 | 79.3 Ų | 79.3 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 118.5 | 164.5 | -174.8 | -176.8 | 176.9 | -166.2 | 0 | 106.9 | S85 | K36-S85 PolarHBondContact N-O 3Å; K36-S85 PolarHBondContact O-N 3.29Å |
| 37 | F | 66.2 | Low | 67.7 | Low | 40 Ų | 40 | 75 Ų | 75 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 133 | 178.2 | -60.2 | -75 | 0 | 0 | 0 | 111.1 | L27 M32 Y35 F83 D84 | L27-F37 HydrophobicContact CB-CD2 4.12Å; L27-F37 HydrophobicContact CB-CE2 4.19Å; L27-F37 HydrophobicContact CB-CG 4.26Å; L27-F37 HydrophobicContact CB-CZ 4.4Å; L27-F37 HydrophobicContact CD1-CB 4.18Å; L27-F37 HydrophobicContact CD1-CD1 4.09Å; L27-F37 HydrophobicContact CD1-CG 4.09Å; L27-F37 HydrophobicContact CD2-CD1 4.48Å; L27-F37 HydrophobicContact CD2-CE1 4.32Å; M32-F37 HydrophobicContact CB-CE2 4.36Å; M32-F37 HydrophobicContact CB-CZ 3.58Å; M32-F37 HydrophobicContact CE-CE1 4.48Å; M32-F37 HydrophobicContact CG-CZ 4.43Å; Y35-F37 HydrophobicContact CG-CZ 4.48Å; F37-F83 VanDerWaalsContact CA-O 3.3Å; F37-F83 WeakPolarHBondContact CA-O 3.47Å; F37-D84 HydrophobicContact CD1-CB 4.2Å; F37-D84 HydrophobicContact CE1-CB 4.07Å |
| 38 | I | 66.9 | Low | 66.7 | Low | 27 Ų | 27 | 75.2 Ų | 75.2 | 14% | 0.138 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.4 | 165.4 | -58.5 | 173.7 | 0 | 0 | 0 | 106.6 | S58 A82 F83 | I38-S58 WeakPolarHBondContact CG2-O 3.49Å; I38-A82 CarbonylContact O-C 3.54Å; I38-A82 VanDerWaalsContact O-CA 3.23Å; I38-A82 WeakPolarHBondContact O-CA 3.31Å; I38-F83 HydrophobicContact CB-CB 4.21Å; I38-F83 HydrophobicContact CB-CD2 4.1Å; I38-F83 HydrophobicContact CG2-CD2 4.12Å; I38-F83 PolarHBondContact N-O 3.39Å; I38-F83 PolarHBondContact O-N 3.08Å |
| 39 | V | 71.6 | Confident | 65.2 | Low | 20 Ų | 20 | 79.2 Ų | 79.2 | 12% | 0.121 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.3 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | V20 V23 L27 V80 T81 A82 | V20-V39 HydrophobicContact CG1-CB 4.31Å; V20-V39 HydrophobicContact CG1-CG1 4.41Å; V20-V39 HydrophobicContact CG2-CG1 4.42Å; V23-V39 HydrophobicContact CB-CG1 4.15Å; V23-V39 HydrophobicContact CG1-CG1 3.8Å; V23-V39 HydrophobicContact CG1-CG2 4.1Å; L27-V39 HydrophobicContact CD1-CG2 3.67Å; V39-V80 HydrophobicContact CG1-CG1 3.75Å; V39-T81 CarbonylContact C-O 3.54Å; V39-T81 WeakPolarHBondContact CA-O 3.18Å; V39-A82 HydrophobicContact CG2-CB 4.42Å |
| 40 | Q | 71.5 | Confident | 63.8 | Low | 47 Ų | 47 | 75.9 Ų | 75.9 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.6 | 172.2 | 163.7 | -178.6 | 11.8 | 0 | 0 | 108.8 | V42 V57 V80 T81 | Q40-V42 HydrophobicContact CG-CG2 4.29Å; Q40-V57 HydrophobicContact CG-CG2 4.07Å; Q40-V57 VanDerWaalsContact NE2-CG2 3.31Å; Q40-V80 CarbonylContact O-C 3.48Å; Q40-V80 VanDerWaalsContact O-CA 3.31Å; Q40-V80 WeakPolarHBondContact O-CA 3.4Å; Q40-T81 VanDerWaalsContact CB-OG1 3.31Å; Q40-T81 WeakPolarHBondContact CB-OG1 3.47Å; Q40-T81 PolarHBondContact N-O 2.9Å; Q40-T81 PolarHBondContact O-N 3.15Å; Q40-T81 PolarHBondContact O-OG1 3.42Å |
| 41 | C | 76 | Confident | 63.1 | Low | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.007 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.2 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | V20 C78 V79 | V20-C41 HydrophobicContact CG2-CB 3.33Å; C41-C78 PolarHBondContact SG-SG 3.06Å; C41-V79 CarbonylContact C-O 3.58Å; C41-V79 VanDerWaalsContact CA-O 3.28Å; C41-V79 WeakPolarHBondContact CA-O 3.45Å |
| 42 | V | 74.8 | Confident | 62.6 | Low | 30 Ų | 30 | 78.6 Ų | 78.6 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122.7 | 174.9 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | Q40 F44 A55 C78 V79 | Q40-V42 HydrophobicContact CG-CG2 4.29Å; V42-F44 HydrophobicContact CG1-CD1 4.26Å; V42-A55 HydrophobicContact CG2-CB 4.37Å; V42-C78 CarbonylContact O-C 3.5Å; V42-C78 VanDerWaalsContact O-CA 3.29Å; V42-C78 WeakPolarHBondContact O-CA 3.23Å; V42-V79 PolarHBondContact N-O 2.96Å; V42-V79 PolarHBondContact O-N 3.3Å |
| 43 | V | 74.9 | Confident | 62.1 | Low | 5 Ų | 5 | 83.7 Ų | 83.7 | 3% | 0.03 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.2 | 177 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | Y7 A16 F76 V77 C78 | Y7-V43 HydrophobicContact CD2-CG1 4.37Å; Y7-V43 HydrophobicContact CE2-CG1 4.16Å; A16-V43 HydrophobicContact CB-CG2 4.06Å; V43-F76 HydrophobicContact CG1-CB 4.18Å; V43-F76 HydrophobicContact CG1-CD2 3.92Å; V43-F76 HydrophobicContact CG1-CG 4.27Å; V43-V77 WeakPolarHBondContact CA-O 3.5Å; V43-C78 HydrophobicContact CG2-CB 4.35Å |
| 44 | F | 72.9 | Confident | 61.6 | Low | 73 Ų | 73 | 76 Ų | 76 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.7 | 179.1 | 60.6 | -87.3 | 0 | 0 | 0 | 111.9 | V42 F76 V77 V79 | V42-F44 HydrophobicContact CG1-CD1 4.26Å; F44-F76 CarbonylContact O-C 3.55Å; F44-F76 WeakPolarHBondContact O-CA 3.27Å; F44-F76 WeakPolarHBondContact O-CB 3.47Å; F44-V77 HydrophobicContact CD1-CB 4.23Å; F44-V77 HydrophobicContact CD2-CB 4.14Å; F44-V77 HydrophobicContact CE1-CB 3.71Å; F44-V77 HydrophobicContact CE1-CG1 3.66Å; F44-V77 HydrophobicContact CE2-CB 3.61Å; F44-V77 HydrophobicContact CE2-CG1 4.14Å; F44-V77 HydrophobicContact CE2-CG2 3.91Å; F44-V77 HydrophobicContact CG-CB 4.44Å; F44-V77 HydrophobicContact CZ-CB 3.38Å; F44-V77 HydrophobicContact CZ-CG1 3.42Å; F44-V77 VanDerWaalsContact CZ-CG1 3.42Å; F44-V77 HydrophobicContact CZ-CG2 4.04Å; F44-V77 PolarHBondContact N-O 2.65Å; F44-V77 PolarHBondContact O-N 3.33Å; F44-V79 HydrophobicContact CE1-CG2 4.12Å |
| 45 | E | 73 | Confident | 61.1 | Low | 97 Ų | 97 | 74.5 Ų | 74.5 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 141.8 | 176.9 | -164.1 | 176.6 | -172.4 | 0 | 0 | 111.4 | Y7 | Y7-E45 HydrophobicContact CD1-CB 3.75Å; Y7-E45 HydrophobicContact CD1-CG 3.86Å; Y7-E45 HydrophobicContact CE1-CB 3.74Å; Y7-E45 HydrophobicContact CE1-CG 4.31Å; Y7-E45 HydrophobicContact CG-CB 4.29Å; Y7-E45 HydrophobicContact CG-CG 4.38Å |
| 46 | R | 68.6 | Low | 60.4 | Low | 142 Ų | 142 | 75.5 Ų | 75.5 | 54% | 0.536 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -77.5 | -22.6 | -176.7 | -168.9 | 175 | 169.4 | 156.7 | -3.2 | 113.4 | G73 T75 | R46-G73 PolarHBondContact NH1-O 2.98Å; R46-T75 PolarHBondContact N-O 3.43Å |
| 47 | C | 57.1 | Low | 59.8 | Low | 102 Ų | 102 | 74.2 Ų | 74.2 | 69% | 0.689 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -148.4 | 68.4 | -163.3 | -56.3 | 0 | 0 | 0 | 0 | 114 | ||
| 48 | G | 50.7 | Low | 58.7 | Low | 43 Ų | 43 | 76.3 Ų | 76.3 | 44% | 0.443 | 43% | 0.431 | S | S | . | . | trans | -164.2 | 130 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G50 | G48-G50 PolarHBondContact O-N 3.05Å; G48-G50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | H | 41.6 | Very low | 57.6 | Low | 216 Ų | 216 | 85 Ų | 85 | 100% | 1 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -71.9 | 95.8 | 170.8 | -81.1 | 53.4 | 0 | 0 | 0 | 109.3 | ||
| 50 | G | 45.3 | Very low | 56 | Low | 66 Ų | 66 | 89.1 Ų | 89.1 | 68% | 0.68 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 144.5 | 73 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G48 E52 | G48-G50 PolarHBondContact O-N 3.05Å; G48-G50 VanDerWaalsContact O-N 3.12Å; G50-E52 PolarHBondContact O-N 3.48Å |
| 51 | V | 53.1 | Low | 54.5 | Low | 104 Ų | 104 | 90 Ų | 90 | 63% | 0.63 | 50% | 0.495 | S | S | * | . | trans | -82.8 | 99.1 | -171.1 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | Y53 | V51-Y53 HydrophobicContact CG1-CD1 4.24Š| ||
| 52 | E | 46.1 | Very low | 52.7 | Low | 143 Ų | 143 | 96 Ų | 96 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | trans | -79.6 | 115.2 | 151.9 | -72.1 | -163.1 | 163 | 0 | 0 | 108 | Y7 G50 | Y7-E52 PolarHBondContact OH-O 3.18Å; G50-E52 PolarHBondContact O-N 3.48Å | ||
| 53 | Y | 49.2 | Very low | 50.8 | Low | 172 Ų | 172 | 99.6 Ų | 99.6 | 68% | 0.675 | 55% | 0.55 | S | S | * | . | trans | -109.7 | 126.8 | 176.4 | 59.4 | -86.4 | 0 | 0 | 0 | 109.7 | V51 A55 | V51-Y53 HydrophobicContact CG1-CD1 4.24Å; Y53-A55 HydrophobicContact CD2-CB 4.37Å | ||
| 54 | G | 47.3 | Very low | 49.7 | Very low | 23 Ų | 23 | 102.7 Ų | 102.7 | 24% | 0.237 | 57% | 0.566 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 114.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 55 | A | 51.1 | Low | 48.8 | Very low | 55 Ų | 55 | 101.3 Ų | 101.3 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | V42 Y53 | V42-A55 HydrophobicContact CG2-CB 4.37Å; Y53-A55 HydrophobicContact CD2-CB 4.37Å |
| 56 | S | 48 | Very low | 47.9 | Very low | 62 Ų | 62 | 101.4 Ų | 101.4 | 43% | 0.434 | 58% | 0.583 | S | S | . | * | trans | -107.7 | 130 | 164.7 | 73.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 57 | V | 50.3 | Low | 47.4 | Very low | 90 Ų | 90 | 97.7 Ų | 97.7 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | trans | -137.2 | 128.3 | 178.6 | -175.7 | 0 | 0 | 0 | 0 | 107.3 | Q40 | Q40-V57 HydrophobicContact CG-CG2 4.07Å; Q40-V57 VanDerWaalsContact NE2-CG2 3.31Å | ||
| 58 | S | 43.2 | Very low | 47.7 | Very low | 85 Ų | 85 | 100.5 Ų | 100.5 | 59% | 0.594 | 58% | 0.578 | S | S | * | * | trans | -111.8 | 120.9 | 162 | 75.8 | 0 | 0 | 0 | 0 | 108.2 | I38 | I38-S58 WeakPolarHBondContact CG2-O 3.49Š| ||
| 59 | W | 42.8 | Very low | 48.3 | Very low | 208 Ų | 208 | 104.1 Ų | 104.1 | 79% | 0.788 | 58% | 0.583 | S | S | * | * | trans | -104 | 142.6 | -173.3 | -178.3 | 70.6 | 0 | 0 | 0 | 111.7 | S61 | W59-S61 WeakPolarHBondContact CZ2-OG 3.43Š| ||
| 60 | D | 39.4 | Very low | 49.7 | Very low | 107 Ų | 107 | 97.1 Ų | 97.1 | 57% | 0.572 | 55% | 0.553 | S | S | * | * | trans | -149.4 | 141.8 | 160.2 | -164.2 | -0.7 | 0 | 0 | 0 | 107.1 | ||||
| 61 | S | 38.6 | Very low | 50.7 | Low | 65 Ų | 65 | 98.9 Ų | 98.9 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | trans | -92.3 | 0.9 | -148.1 | -166 | 0 | 0 | 0 | 0 | 117.8 | W59 | W59-S61 WeakPolarHBondContact CZ2-OG 3.43Š| ||
| 62 | D | 38.3 | Very low | 51.4 | Low | 128 Ų | 128 | 100.2 Ų | 100.2 | 68% | 0.684 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -133.6 | 124.2 | -167.9 | -64.5 | -43.7 | 0 | 0 | 0 | 113.9 | ||
| 63 | T | 35.4 | Very low | 52.3 | Low | 106 Ų | 106 | 94.3 Ų | 94.3 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | trans | 60.4 | 113.6 | 158 | 53.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 64 | D | 52.4 | Low | 53 | Low | 70 Ų | 70 | 92.1 Ų | 92.1 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | trans | 123.7 | 139.4 | 140.1 | -60 | -44.1 | 0 | 0 | 0 | 119.3 | D84 F105 | D64-D84 CarbonylContact C-O 3.52Å; D64-D84 VanDerWaalsContact CB-O 3.29Å; D64-D84 WeakPolarHBondContact CB-O 3.17Å; D64-F105 WeakPolarHBondContact OD2-CE2 3.49Å | ||
| 65 | G | 52.8 | Low | 53.8 | Low | 44 Ų | 44 | 93.6 Ų | 93.6 | 45% | 0.454 | 52% | 0.523 | S | S | . | . | trans | 29.7 | 94.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | A67 D84 | G65-A67 PolarHBondContact O-N 3.16Å; G65-D84 WeakPolarHBondContact CA-OD1 3.44Å; G65-D84 PolarHBondContact N-OD1 3.19Å; G65-D84 VanDerWaalsContact O-OD1 3.14Å | ||
| 66 | C | 55.8 | Low | 54.6 | Low | 99 Ų | 99 | 93.4 Ų | 93.4 | 67% | 0.669 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 115.7 | 163.4 | 66.4 | 0 | 0 | 0 | 0 | 110.9 | F83 | C66-F83 HydrophobicContact CB-CD1 4.08Å; C66-F83 HydrophobicContact CB-CE1 3.84Å |
| 67 | A | 56.9 | Low | 55.8 | Low | 63 Ų | 63 | 91 Ų | 91 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | G65 T81 A82 | G65-A67 PolarHBondContact O-N 3.16Å; A67-T81 CarbonylContact O-C 3.48Å; A67-T81 WeakPolarHBondContact O-CA 3.39Å; A67-A82 PolarHBondContact N-O 2.95Å; A67-A82 PolarHBondContact O-N 3.44Å |
| 68 | R | 64.3 | Low | 56.7 | Low | 162 Ų | 162 | 87 Ų | 87 | 61% | 0.611 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.8 | 177.8 | -177.9 | 173.2 | 174.4 | 171.4 | -0.7 | 110 | I70 V79 V80 T81 | R68-I70 HydrophobicContact CG-CG1 4.31Å; R68-V79 HydrophobicContact CG-CG1 4.11Å; R68-V80 WeakPolarHBondContact CA-O 3.45Å; R68-T81 HydrophobicContact CB-CG2 3.84Å; R68-T81 HydrophobicContact CG-CG2 3.66Å |
| 69 | E | 62.8 | Low | 58.1 | Low | 118 Ų | 118 | 83.8 Ų | 83.8 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.9 | 171 | -155.6 | 173.3 | -173.9 | 0 | 0 | 109.3 | F71 V80 | E69-F71 HydrophobicContact CB-CE2 4.04Å; E69-F71 HydrophobicContact CB-CZ 4.46Å; E69-F71 HydrophobicContact CG-CE1 4.46Å; E69-F71 HydrophobicContact CG-CE2 3.81Å; E69-F71 HydrophobicContact CG-CZ 3.79Å; E69-F71 WeakPolarHBondContact OE1-CZ 3.32Å; E69-F71 VanDerWaalsContact OE2-CZ 3.31Å; E69-F71 WeakPolarHBondContact OE2-CZ 3.22Å; E69-V80 PolarHBondContact N-O 3.37Å; E69-V80 PolarHBondContact O-N 3.47Å |
| 70 | I | 70.2 | Confident | 59.3 | Low | 70 Ų | 70 | 74.4 Ų | 74.4 | 36% | 0.359 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 113.2 | 180 | -52.2 | 177.7 | 0 | 0 | 0 | 108 | R68 H72 V77 V79 | R68-I70 HydrophobicContact CG-CG1 4.31Å; I70-H72 WeakPolarHBondContact CG2-CE1 3.43Å; I70-V77 HydrophobicContact CG2-CG1 3.82Å; I70-V79 HydrophobicContact CG1-CG1 4.4Å; I70-V79 HydrophobicContact CG1-CG2 4.25Å; I70-V79 HydrophobicContact CG2-CG2 4.1Å |
| 71 | F | 66.8 | Low | 60.7 | Low | 103 Ų | 103 | 70.2 Ų | 70.2 | 45% | 0.452 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 118.5 | 173.3 | -65.1 | -80.4 | 0 | 0 | 0 | 109.4 | E69 V77 C78 | E69-F71 HydrophobicContact CB-CE2 4.04Å; E69-F71 HydrophobicContact CB-CZ 4.46Å; E69-F71 HydrophobicContact CG-CE1 4.46Å; E69-F71 HydrophobicContact CG-CE2 3.81Å; E69-F71 HydrophobicContact CG-CZ 3.79Å; E69-F71 WeakPolarHBondContact OE1-CZ 3.32Å; E69-F71 VanDerWaalsContact OE2-CZ 3.31Å; E69-F71 WeakPolarHBondContact OE2-CZ 3.22Å; F71-V77 WeakPolarHBondContact O-CA 3.41Å; F71-C78 HydrophobicContact CB-CB 4.25Å; F71-C78 PolarHBondContact N-O 3.48Å; F71-C78 PolarHBondContact O-N 3.19Å |
| 72 | H | 67.9 | Low | 61.9 | Low | 131 Ų | 131 | 67.9 Ų | 67.9 | 61% | 0.606 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 112.2 | 175 | -60.6 | 81.5 | 0 | 0 | 0 | 108.5 | I70 | I70-H72 WeakPolarHBondContact CG2-CE1 3.43Å |
| 73 | G | 64.7 | Low | 63.1 | Low | 20 Ų | 20 | 65.3 Ų | 65.3 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | trans | -92.5 | 177.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R46 F76 | R46-G73 PolarHBondContact NH1-O 2.98Å; G73-F76 WeakPolarHBondContact CA-O 3.03Å; G73-F76 PolarHBondContact N-O 3.27Å | ||
| 74 | D | 64 | Low | 64.5 | Low | 126 Ų | 126 | 62 Ų | 62 | 67% | 0.674 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -71.8 | -36.2 | 175.9 | -63.6 | -29.2 | 0 | 0 | 0 | 111.4 | ||
| 75 | T | 64.1 | Low | 65 | Low | 54 Ų | 54 | 60 Ų | 60 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -108.4 | -31.2 | -175 | 49 | 0 | 0 | 0 | 0 | 113.6 | R5 R46 | R5-T75 PolarHBondContact O-OG1 3.39Å; R46-T75 PolarHBondContact N-O 3.43Å |
| 76 | F | 69 | Low | 65.6 | Low | 51 Ų | 51 | 59.5 Ų | 59.5 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 156.2 | -178.2 | 64.9 | -89.3 | 0 | 0 | 0 | 112.4 | R5 Y7 V43 F44 G73 C78 | R5-F76 HydrophobicContact CB-CE1 4.39Å; Y7-F76 HydrophobicContact CD2-CB 3.85Å; Y7-F76 HydrophobicContact CG-CB 4.4Å; V43-F76 HydrophobicContact CG1-CB 4.18Å; V43-F76 HydrophobicContact CG1-CD2 3.92Å; V43-F76 HydrophobicContact CG1-CG 4.27Å; F44-F76 CarbonylContact O-C 3.55Å; F44-F76 WeakPolarHBondContact O-CA 3.27Å; F44-F76 WeakPolarHBondContact O-CB 3.47Å; G73-F76 WeakPolarHBondContact CA-O 3.03Å; G73-F76 PolarHBondContact N-O 3.27Å; F76-C78 HydrophobicContact CD2-CB 4.43Å; F76-C78 HydrophobicContact CE2-CB 4.42Å |
| 77 | V | 71.4 | Confident | 66.2 | Low | 10 Ų | 10 | 56.7 Ų | 56.7 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.1 | 169.7 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | V43 F44 I70 F71 V79 | V43-V77 WeakPolarHBondContact CA-O 3.5Å; F44-V77 HydrophobicContact CD1-CB 4.23Å; F44-V77 HydrophobicContact CD2-CB 4.14Å; F44-V77 HydrophobicContact CE1-CB 3.71Å; F44-V77 HydrophobicContact CE1-CG1 3.66Å; F44-V77 HydrophobicContact CE2-CB 3.61Å; F44-V77 HydrophobicContact CE2-CG1 4.14Å; F44-V77 HydrophobicContact CE2-CG2 3.91Å; F44-V77 HydrophobicContact CG-CB 4.44Å; F44-V77 HydrophobicContact CZ-CB 3.38Å; F44-V77 HydrophobicContact CZ-CG1 3.42Å; F44-V77 VanDerWaalsContact CZ-CG1 3.42Å; F44-V77 HydrophobicContact CZ-CG2 4.04Å; F44-V77 PolarHBondContact N-O 2.65Å; F44-V77 PolarHBondContact O-N 3.33Å; I70-V77 HydrophobicContact CG2-CG1 3.82Å; F71-V77 WeakPolarHBondContact O-CA 3.41Å; V77-V79 HydrophobicContact CG1-CG2 4.45Å |
| 78 | C | 69.3 | Low | 66.8 | Low | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.054 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 119.9 | 177.6 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | C41 V42 V43 F71 F76 | C41-C78 PolarHBondContact SG-SG 3.06Å; V42-C78 CarbonylContact O-C 3.5Å; V42-C78 VanDerWaalsContact O-CA 3.29Å; V42-C78 WeakPolarHBondContact O-CA 3.23Å; V43-C78 HydrophobicContact CG2-CB 4.35Å; F71-C78 HydrophobicContact CB-CB 4.25Å; F71-C78 PolarHBondContact N-O 3.48Å; F71-C78 PolarHBondContact O-N 3.19Å; F76-C78 HydrophobicContact CD2-CB 4.43Å; F76-C78 HydrophobicContact CE2-CB 4.42Å |
| 79 | V | 72.9 | Confident | 67.6 | Low | 16 Ų | 16 | 55.9 Ų | 55.9 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | C41 V42 F44 R68 I70 V77 T81 | C41-V79 CarbonylContact C-O 3.58Å; C41-V79 VanDerWaalsContact CA-O 3.28Å; C41-V79 WeakPolarHBondContact CA-O 3.45Å; V42-V79 PolarHBondContact N-O 2.96Å; V42-V79 PolarHBondContact O-N 3.3Å; F44-V79 HydrophobicContact CE1-CG2 4.12Å; R68-V79 HydrophobicContact CG-CG1 4.11Å; I70-V79 HydrophobicContact CG1-CG1 4.4Å; I70-V79 HydrophobicContact CG1-CG2 4.25Å; I70-V79 HydrophobicContact CG2-CG2 4.1Å; V77-V79 HydrophobicContact CG1-CG2 4.45Å; V79-T81 HydrophobicContact CG1-CG2 4.38Å |
| 80 | V | 69.4 | Low | 68.5 | Low | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.1 | 173.2 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | V19 V23 V39 Q40 R68 E69 | V19-V80 HydrophobicContact CG1-CG2 3.76Å; V23-V80 HydrophobicContact CG1-CG1 4.25Å; V23-V80 HydrophobicContact CG2-CG1 4.19Å; V39-V80 HydrophobicContact CG1-CG1 3.75Å; Q40-V80 CarbonylContact O-C 3.48Å; Q40-V80 VanDerWaalsContact O-CA 3.31Å; Q40-V80 WeakPolarHBondContact O-CA 3.4Å; R68-V80 WeakPolarHBondContact CA-O 3.45Å; E69-V80 PolarHBondContact N-O 3.37Å; E69-V80 PolarHBondContact O-N 3.47Å |
| 81 | T | 67.3 | Low | 69.3 | Low | 19 Ų | 19 | 53.5 Ų | 53.5 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.1 | 174.8 | 41.4 | 0 | 0 | 0 | 0 | 108.4 | V39 Q40 A67 R68 V79 | V39-T81 CarbonylContact C-O 3.54Å; V39-T81 WeakPolarHBondContact CA-O 3.18Å; Q40-T81 VanDerWaalsContact CB-OG1 3.31Å; Q40-T81 WeakPolarHBondContact CB-OG1 3.47Å; Q40-T81 PolarHBondContact N-O 2.9Å; Q40-T81 PolarHBondContact O-N 3.15Å; Q40-T81 PolarHBondContact O-OG1 3.42Å; A67-T81 CarbonylContact O-C 3.48Å; A67-T81 WeakPolarHBondContact O-CA 3.39Å; R68-T81 HydrophobicContact CB-CG2 3.84Å; R68-T81 HydrophobicContact CG-CG2 3.66Å; V79-T81 HydrophobicContact CG1-CG2 4.38Å |
| 82 | A | 64.6 | Low | 70.1 | Confident | 16 Ų | 16 | 52 Ų | 52 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L27 I38 V39 A67 | L27-A82 HydrophobicContact CD1-CB 4.14Å; I38-A82 CarbonylContact O-C 3.54Å; I38-A82 VanDerWaalsContact O-CA 3.23Å; I38-A82 WeakPolarHBondContact O-CA 3.31Å; V39-A82 HydrophobicContact CG2-CB 4.42Å; A67-A82 PolarHBondContact N-O 2.95Å; A67-A82 PolarHBondContact O-N 3.44Å |
| 83 | F | 64.3 | Low | 70.8 | Confident | 74 Ų | 74 | 52.2 Ų | 52.2 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.9 | 171.8 | -53.4 | -91.7 | 0 | 0 | 0 | 108.3 | F37 I38 C66 | F37-F83 VanDerWaalsContact CA-O 3.3Å; F37-F83 WeakPolarHBondContact CA-O 3.47Å; I38-F83 HydrophobicContact CB-CB 4.21Å; I38-F83 HydrophobicContact CB-CD2 4.1Å; I38-F83 HydrophobicContact CG2-CD2 4.12Å; I38-F83 PolarHBondContact N-O 3.39Å; I38-F83 PolarHBondContact O-N 3.08Å; C66-F83 HydrophobicContact CB-CD1 4.08Å; C66-F83 HydrophobicContact CB-CE1 3.84Å |
| 84 | D | 63.4 | Low | 71.7 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.9 | 172 | 62.5 | -29.9 | 0 | 0 | 0 | 109.8 | Y35 F37 D64 G65 | Y35-D84 HydrophobicContact CD1-CB 3.84Å; Y35-D84 HydrophobicContact CE1-CB 4.44Å; Y35-D84 HydrophobicContact CG-CB 4.42Å; F37-D84 HydrophobicContact CD1-CB 4.2Å; F37-D84 HydrophobicContact CE1-CB 4.07Å; D64-D84 CarbonylContact C-O 3.52Å; D64-D84 VanDerWaalsContact CB-O 3.29Å; D64-D84 WeakPolarHBondContact CB-O 3.17Å; G65-D84 WeakPolarHBondContact CA-OD1 3.44Å; G65-D84 PolarHBondContact N-OD1 3.19Å; G65-D84 VanDerWaalsContact O-OD1 3.14Å |
| 85 | S | 62.5 | Low | 72.5 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.5 | 172.5 | 79.2 | 0 | 0 | 0 | 0 | 110 | K36 | K36-S85 PolarHBondContact N-O 3Å; K36-S85 PolarHBondContact O-N 3.29Å |
| 86 | L | 66.7 | Low | 73.3 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 147.1 | 167.4 | -78.1 | 175.5 | 0 | 0 | 0 | 110.1 | Y35 G88 F105 | Y35-L86 HydrophobicContact CE1-CD2 4.24Å; L86-G88 PolarHBondContact O-N 3.47Å; L86-F105 HydrophobicContact CD1-CD2 3.64Å; L86-F105 HydrophobicContact CD1-CE2 3.17Å; L86-F105 HydrophobicContact CD1-CZ 3.81Å; L86-F105 HydrophobicContact CD2-CE2 4.35Å; L86-F105 HydrophobicContact CD2-CZ 4.18Å; L86-F105 HydrophobicContact CG-CE2 3.62Å; L86-F105 HydrophobicContact CG-CZ 3.92Å |
| 87 | P | 67.6 | Low | 73.9 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 26% | 0.26 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -65 | 135.5 | 176 | 24.5 | -29.3 | 0 | 0 | 0 | 110 | D34 Y103 | D34-P87 WeakPolarHBondContact O-CD 3.4Å; D34-P87 WeakPolarHBondContact O-CG 3.48Å; P87-Y103 HydrophobicContact CG-CD2 3.7Å; P87-Y103 HydrophobicContact CG-CE2 3.73Å; P87-Y103 HydrophobicContact CG-CG 4.14Å |
| 88 | G | 70.4 | Confident | 74.6 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 58% | 0.577 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 162.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L86 T90 | L86-G88 PolarHBondContact O-N 3.47Å; G88-T90 PolarHBondContact O-N 3.5Å; G88-T90 PolarHBondContact O-OG1 3.01Å |
| 89 | R | 80.3 | Confident | 75.4 | Confident | 153 Ų | 153 | 63.9 Ų | 63.9 | 58% | 0.577 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 122.2 | 176.8 | 176.3 | -178.6 | -167.1 | -172.5 | 11.6 | 111.4 | V91 T100 E102 | R89-V91 HydrophobicContact CG-CG2 4.48Å; R89-T100 HydrophobicContact CG-CG2 4.17Å; R89-T100 VanDerWaalsContact NE-CG2 3.34Å; R89-E102 HydrophobicContact CB-CG 4.04Å; R89-E102 VanDerWaalsContact CD-OE1 3.25Å; R89-E102 WeakPolarHBondContact CD-OE1 3.28Å; R89-E102 HydrophobicContact CG-CG 3.64Å; R89-E102 IonicContact CZ-OE1 2.66Å; R89-E102 IonicContact NE-OE1 2.76Å; R89-E102 PolarHBondContact NE-OE1 3.03Å; R89-E102 IonicContact NH2-OE1 3.98Å; R89-E102 PolarHBondContact NH2-OE1 3.01Å |
| 90 | T | 82.1 | Confident | 75.9 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.7 | 176.8 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | G88 T92 V101 | G88-T90 PolarHBondContact O-N 3.5Å; G88-T90 PolarHBondContact O-OG1 3.01Å; T90-T92 HydrophobicContact CG2-CG2 4.29Å; T90-V101 PolarHBondContact N-O 2.94Å; T90-V101 PolarHBondContact O-N 2.83Å |
| 91 | V | 85.9 | Confident | 76.7 | Confident | 63 Ų | 63 | 64 Ų | 64 | 38% | 0.382 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 115.1 | 175.7 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | R89 R98 T99 T100 | R89-V91 HydrophobicContact CG-CG2 4.48Å; V91-R98 HydrophobicContact CG1-CG 3.84Å; V91-T99 WeakPolarHBondContact CA-O 3.44Å; V91-T100 HydrophobicContact CG2-CG2 4.2Å |
| 92 | T | 84.8 | Confident | 77.4 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.8 | 172.4 | 54.6 | 0 | 0 | 0 | 0 | 110 | T90 T99 | T90-T92 HydrophobicContact CG2-CG2 4.29Å; T92-T99 PolarHBondContact N-O 3.4Å; T92-T99 PolarHBondContact O-N 3.09Å; T92-T99 WeakPolarHBondContact OG1-CB 3.36Å |
| 93 | L | 83.2 | Confident | 78.1 | Confident | 135 Ų | 135 | 69.2 Ų | 69.2 | 71% | 0.707 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 112.1 | 176.3 | -73.6 | 160.8 | 0 | 0 | 0 | 107.5 | R98 | L93-R98 HydrophobicContact CD2-CB 3.91Å; L93-R98 HydrophobicContact CD2-CG 4.07Å |
| 94 | D | 82.2 | Confident | 78.7 | Confident | 127 Ų | 127 | 70.2 Ų | 70.2 | 68% | 0.679 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 93.8 | 175.4 | -170.9 | 18 | 0 | 0 | 0 | 108.2 | D96 I97 | D94-D96 PolarHBondContact O-N 2.79Å; D94-I97 PolarHBondContact N-O 3.14Å; D94-I97 PolarHBondContact O-N 3.21Å |
| 95 | G | 81.7 | Confident | 79.4 | Confident | 70 Ų | 70 | 72.4 Ų | 72.4 | 72% | 0.722 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | -121.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I97 | G95-I97 VanDerWaalsContact C-N 3.3Š|
| 96 | D | 79.8 | Confident | 80.1 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -2.7 | 178.6 | -70.8 | -26.6 | 0 | 0 | 0 | 113.8 | D94 K119 | D94-D96 PolarHBondContact O-N 2.79Å; D96-K119 HydrophobicContact CB-CG 4.36Å |
| 97 | I | 83.3 | Confident | 80.8 | Confident | 64 Ų | 64 | 81.6 Ų | 81.6 | 33% | 0.328 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 111.4 | -174.7 | -53.2 | 177.6 | 0 | 0 | 0 | 109 | D94 G95 R117 K119 | D94-I97 PolarHBondContact N-O 3.14Å; D94-I97 PolarHBondContact O-N 3.21Å; G95-I97 VanDerWaalsContact C-N 3.3Å; I97-R117 HydrophobicContact CG2-CB 4.15Å; I97-K119 HydrophobicContact CG1-CB 4.31Å; I97-K119 HydrophobicContact CG1-CD 4.5Å; I97-K119 HydrophobicContact CG1-CG 4.34Å |
| 98 | R | 85.2 | Confident | 81.2 | Confident | 111 Ų | 111 | 85.5 Ų | 85.5 | 42% | 0.419 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.8 | 169.4 | -178.1 | -179.4 | 173.2 | 179.3 | 0.8 | 109 | V91 L93 R117 H118 | V91-R98 HydrophobicContact CG1-CG 3.84Å; L93-R98 HydrophobicContact CD2-CB 3.91Å; L93-R98 HydrophobicContact CD2-CG 4.07Å; R98-R117 WeakPolarHBondContact O-CA 3.44Å; R98-H118 PolarHBondContact N-O 2.8Å; R98-H118 PolarHBondContact O-N 2.74Å |
| 99 | T | 85.3 | Confident | 81.3 | Confident | 23 Ų | 23 | 85.4 Ų | 85.4 | 14% | 0.141 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.5 | 173.3 | -55.6 | 0 | 0 | 0 | 0 | 109.1 | V91 T92 V101 V115 S116 R117 | V91-T99 WeakPolarHBondContact CA-O 3.44Å; T92-T99 PolarHBondContact N-O 3.4Å; T92-T99 PolarHBondContact O-N 3.09Å; T92-T99 WeakPolarHBondContact OG1-CB 3.36Å; T99-V101 HydrophobicContact CG2-CG2 4.34Å; T99-V115 HydrophobicContact CG2-CG1 3.67Å; T99-S116 CarbonylContact C-O 3.56Å; T99-S116 WeakPolarHBondContact CA-O 3.41Å; T99-R117 HydrophobicContact CG2-CG 3.87Å |
| 100 | T | 84.9 | Confident | 80.7 | Confident | 7 Ų | 7 | 84 Ų | 84 | 4% | 0.043 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.6 | 176.7 | -56.3 | 0 | 0 | 0 | 0 | 108.3 | R89 V91 E102 V115 S116 | R89-T100 HydrophobicContact CG-CG2 4.17Å; R89-T100 VanDerWaalsContact NE-CG2 3.34Å; V91-T100 HydrophobicContact CG2-CG2 4.2Å; T100-E102 HydrophobicContact CG2-CG 4.18Å; T100-E102 WeakPolarHBondContact CG2-OE1 3.3Å; T100-V115 CarbonylContact O-C 3.52Å; T100-V115 WeakPolarHBondContact O-CA 3Å; T100-S116 PolarHBondContact N-O 3.1Å; T100-S116 PolarHBondContact O-N 2.94Å |
| 101 | V | 85.7 | Confident | 80.3 | Confident | 24 Ų | 24 | 88 Ų | 88 | 15% | 0.145 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.5 | 177.1 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | T90 T99 Y103 K113 T114 V115 | T90-V101 PolarHBondContact N-O 2.94Å; T90-V101 PolarHBondContact O-N 2.83Å; T99-V101 HydrophobicContact CG2-CG2 4.34Å; V101-Y103 HydrophobicContact CG1-CD2 4.39Å; V101-Y103 HydrophobicContact CG1-CE2 3.69Å; V101-K113 HydrophobicContact CG1-CD 4.31Å; V101-K113 HydrophobicContact CG1-CG 4.01Å; V101-T114 WeakPolarHBondContact CA-O 3.45Å; V101-V115 HydrophobicContact CG1-CG2 4.4Å; V101-V115 HydrophobicContact CG2-CG1 4.28Å; V101-V115 HydrophobicContact CG2-CG2 4.23Å |
| 102 | E | 81.1 | Confident | 79.8 | Confident | 72 Ų | 72 | 88.8 Ų | 88.8 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 141.1 | 178.4 | -74.1 | 169 | -159.3 | 0 | 0 | 109.5 | R89 T100 K113 T114 | R89-E102 HydrophobicContact CB-CG 4.04Å; R89-E102 VanDerWaalsContact CD-OE1 3.25Å; R89-E102 WeakPolarHBondContact CD-OE1 3.28Å; R89-E102 HydrophobicContact CG-CG 3.64Å; R89-E102 IonicContact CZ-OE1 2.66Å; R89-E102 IonicContact NE-OE1 2.76Å; R89-E102 PolarHBondContact NE-OE1 3.03Å; R89-E102 IonicContact NH2-OE1 3.98Å; R89-E102 PolarHBondContact NH2-OE1 3.01Å; T100-E102 HydrophobicContact CG2-CG 4.18Å; T100-E102 WeakPolarHBondContact CG2-OE1 3.3Å; E102-K113 CarbonylContact O-C 3.45Å; E102-K113 WeakPolarHBondContact O-CA 3.38Å; E102-T114 PolarHBondContact N-O 2.9Å; E102-T114 PolarHBondContact O-N 2.82Å |
| 103 | Y | 78.9 | Confident | 79.7 | Confident | 72 Ų | 72 | 91.1 Ų | 91.1 | 28% | 0.282 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.7 | 175.8 | -63.6 | -96.9 | 0 | 0 | 0 | 108.6 | P87 V101 M112 K113 | P87-Y103 HydrophobicContact CG-CD2 3.7Å; P87-Y103 HydrophobicContact CG-CE2 3.73Å; P87-Y103 HydrophobicContact CG-CG 4.14Å; V101-Y103 HydrophobicContact CG1-CD2 4.39Å; V101-Y103 HydrophobicContact CG1-CE2 3.69Å; Y103-M112 VanDerWaalsContact CA-O 3.3Å; Y103-M112 WeakPolarHBondContact CA-O 3.46Å; Y103-K113 HydrophobicContact CD1-CB 3.99Å; Y103-K113 HydrophobicContact CD1-CG 4.15Å; Y103-K113 HydrophobicContact CE1-CB 3.91Å; Y103-K113 HydrophobicContact CE1-CD 3.86Å; Y103-K113 HydrophobicContact CE1-CG 3.74Å |
| 104 | Y | 78.7 | Confident | 79.7 | Confident | 95 Ų | 95 | 87.5 Ų | 87.5 | 37% | 0.373 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162 | 175.6 | 59.5 | -78.8 | 0 | 0 | 0 | 109.9 | M112 T114 | Y104-M112 HydrophobicContact CD1-CB 4.18Å; Y104-M112 HydrophobicContact CD2-CB 4.01Å; Y104-M112 HydrophobicContact CE1-CB 3.69Å; Y104-M112 HydrophobicContact CE2-CB 3.54Å; Y104-M112 HydrophobicContact CE2-CG 4.01Å; Y104-M112 HydrophobicContact CG-CB 4.31Å; Y104-M112 PolarHBondContact N-O 2.83Å; Y104-M112 PolarHBondContact O-N 3.08Å; Y104-T114 VanDerWaalsContact CE1-OG1 3.22Å; Y104-T114 WeakPolarHBondContact CE1-OG1 3.47Å; Y104-T114 PolarHBondContact OH-OG1 2.84Å |
| 105 | F | 77.2 | Confident | 79.9 | Confident | 82 Ų | 82 | 84.8 Ų | 84.8 | 36% | 0.36 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.7 | 168 | -67.4 | -81.6 | 0 | 0 | 0 | 109.4 | D64 L86 Q110 R111 | D64-F105 WeakPolarHBondContact OD2-CE2 3.49Å; L86-F105 HydrophobicContact CD1-CD2 3.64Å; L86-F105 HydrophobicContact CD1-CE2 3.17Å; L86-F105 HydrophobicContact CD1-CZ 3.81Å; L86-F105 HydrophobicContact CD2-CE2 4.35Å; L86-F105 HydrophobicContact CD2-CZ 4.18Å; L86-F105 HydrophobicContact CG-CE2 3.62Å; L86-F105 HydrophobicContact CG-CZ 3.92Å; F105-Q110 WeakPolarHBondContact CA-O 3.45Å; F105-R111 HydrophobicContact CE1-CB 4.32Å |
| 106 | D | 77.4 | Confident | 79.9 | Confident | 60 Ų | 60 | 83.4 Ų | 83.4 | 32% | 0.321 | 41% | 0.413 | S | S | . | . | trans | -72 | 168.6 | 170.6 | -167.4 | 26.1 | 0 | 0 | 0 | 110.9 | N108 G109 Q110 M112 | D106-N108 PolarHBondContact O-N 3.09Å; D106-N108 PolarHBondContact OD2-ND2 2.83Å; D106-G109 PolarHBondContact O-N 3.22Å; D106-Q110 PolarHBondContact N-O 3.08Å; D106-M112 HydrophobicContact CB-CG 3.99Å | ||
| 107 | E | 81.5 | Confident | 80.2 | Confident | 195 Ų | 195 | 86.9 Ų | 86.9 | 91% | 0.911 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26.2 | 176.9 | -63.5 | -177 | 166.7 | 0 | 0 | 112.7 | G109 | E107-G109 VanDerWaalsContact C-N 3.3Å; E107-G109 PolarHBondContact O-N 3.06Å |
| 108 | N | 76 | Confident | 80.2 | Confident | 122 Ų | 122 | 88.9 Ų | 88.9 | 65% | 0.652 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 6.2 | 177.9 | -60 | -53.4 | 0 | 0 | 0 | 114.2 | D106 Q110 | D106-N108 PolarHBondContact O-N 3.09Å; D106-N108 PolarHBondContact OD2-ND2 2.83Å; N108-Q110 HydrophobicContact CB-CG 4.33Å; N108-Q110 PolarHBondContact O-N 2.8Å |
| 109 | G | 71.3 | Confident | 80.1 | Confident | 53 Ų | 53 | 90.4 Ų | 90.4 | 55% | 0.546 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 69.7 | 11.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D106 E107 | D106-G109 PolarHBondContact O-N 3.22Å; E107-G109 VanDerWaalsContact C-N 3.3Å; E107-G109 PolarHBondContact O-N 3.06Å |
| 110 | Q | 69.2 | Low | 79.8 | Confident | 124 Ų | 124 | 94.4 Ų | 94.4 | 58% | 0.579 | 46% | 0.458 | S | S | * | . | trans | -84.6 | 137.1 | 177.2 | -65.8 | -173.8 | 18 | 0 | 0 | 110.7 | F105 D106 N108 M112 | F105-Q110 WeakPolarHBondContact CA-O 3.45Å; D106-Q110 PolarHBondContact N-O 3.08Å; N108-Q110 HydrophobicContact CB-CG 4.33Å; N108-Q110 PolarHBondContact O-N 2.8Å; Q110-M112 PolarHBondContact O-N 2.66Å | ||
| 111 | R | 72.2 | Confident | 79.4 | Confident | 158 Ų | 158 | 97.9 Ų | 97.9 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 125.4 | 175.8 | 70.1 | -175.7 | -157.4 | 150.6 | 7.8 | 110.7 | D34 F105 | D34-R111 IonicContact OD2-NH1 2.66Å; F105-R111 HydrophobicContact CE1-CB 4.32Å |
| 112 | M | 76.1 | Confident | 79.2 | Confident | 79 Ų | 79 | 106.4 Ų | 106.4 | 39% | 0.389 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.3 | 177.6 | -71.4 | -71.3 | -93.8 | 0 | 0 | 110.3 | Y103 Y104 D106 Q110 | Y103-M112 VanDerWaalsContact CA-O 3.3Å; Y103-M112 WeakPolarHBondContact CA-O 3.46Å; Y104-M112 HydrophobicContact CD1-CB 4.18Å; Y104-M112 HydrophobicContact CD2-CB 4.01Å; Y104-M112 HydrophobicContact CE1-CB 3.69Å; Y104-M112 HydrophobicContact CE2-CB 3.54Å; Y104-M112 HydrophobicContact CE2-CG 4.01Å; Y104-M112 HydrophobicContact CG-CB 4.31Å; Y104-M112 PolarHBondContact N-O 2.83Å; Y104-M112 PolarHBondContact O-N 3.08Å; D106-M112 HydrophobicContact CB-CG 3.99Å; Q110-M112 PolarHBondContact O-N 2.66Å |
| 113 | K | 82.7 | Confident | 79.4 | Confident | 122 Ų | 122 | 111.1 Ų | 111.1 | 53% | 0.53 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.2 | 175.1 | 179.5 | -173 | -179.9 | 178.8 | 0 | 108.7 | V101 E102 Y103 V115 | V101-K113 HydrophobicContact CG1-CD 4.31Å; V101-K113 HydrophobicContact CG1-CG 4.01Å; E102-K113 CarbonylContact O-C 3.45Å; E102-K113 WeakPolarHBondContact O-CA 3.38Å; Y103-K113 HydrophobicContact CD1-CB 3.99Å; Y103-K113 HydrophobicContact CD1-CG 4.15Å; Y103-K113 HydrophobicContact CE1-CB 3.91Å; Y103-K113 HydrophobicContact CE1-CD 3.86Å; Y103-K113 HydrophobicContact CE1-CG 3.74Å; K113-V115 HydrophobicContact CD-CG2 4.23Å; K113-V115 HydrophobicContact CG-CG2 4.13Å |
| 114 | T | 83.9 | Confident | 79.8 | Confident | 59 Ų | 59 | 119.8 Ų | 119.8 | 36% | 0.362 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 123.3 | 172.1 | -72.4 | 0 | 0 | 0 | 0 | 109.7 | V101 E102 Y104 | V101-T114 WeakPolarHBondContact CA-O 3.45Å; E102-T114 PolarHBondContact N-O 2.9Å; E102-T114 PolarHBondContact O-N 2.82Å; Y104-T114 VanDerWaalsContact CE1-OG1 3.22Å; Y104-T114 WeakPolarHBondContact CE1-OG1 3.47Å; Y104-T114 PolarHBondContact OH-OG1 2.84Å |
| 115 | V | 86.1 | Confident | 80.2 | Confident | 71 Ų | 71 | 118.7 Ų | 118.7 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 99 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | T99 T100 V101 K113 R117 | T99-V115 HydrophobicContact CG2-CG1 3.67Å; T100-V115 CarbonylContact O-C 3.52Å; T100-V115 WeakPolarHBondContact O-CA 3Å; V101-V115 HydrophobicContact CG1-CG2 4.4Å; V101-V115 HydrophobicContact CG2-CG1 4.28Å; V101-V115 HydrophobicContact CG2-CG2 4.23Å; K113-V115 HydrophobicContact CD-CG2 4.23Å; K113-V115 HydrophobicContact CG-CG2 4.13Å; V115-R117 HydrophobicContact CG1-CG 4.46Å |
| 116 | S | 82.3 | Confident | 80.9 | Confident | 41 Ų | 41 | 117.7 Ų | 117.7 | 29% | 0.287 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.7 | 176.1 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | T99 T100 H118 | T99-S116 CarbonylContact C-O 3.56Å; T99-S116 WeakPolarHBondContact CA-O 3.41Å; T100-S116 PolarHBondContact N-O 3.1Å; T100-S116 PolarHBondContact O-N 2.94Å; S116-H118 PolarHBondContact OG-CD2 3.11Å; S116-H118 PolarHBondContact OG-CE1 3.04Å; S116-H118 PolarHBondContact OG-NE2 2.64Å |
| 117 | R | 84.8 | Confident | 81.7 | Confident | 191 Ų | 191 | 123.9 Ų | 123.9 | 72% | 0.721 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.2 | 112.3 | 176 | -68.2 | -172.8 | -71.4 | -178.2 | -1.9 | 109.7 | I97 R98 T99 V115 | I97-R117 HydrophobicContact CG2-CB 4.15Å; R98-R117 WeakPolarHBondContact O-CA 3.44Å; T99-R117 HydrophobicContact CG2-CG 3.87Å; V115-R117 HydrophobicContact CG1-CG 4.46Å |
| 118 | H | 83.2 | Confident | 82.3 | Confident | 105 Ų | 105 | 117.4 Ų | 117.4 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.2 | 177.5 | -63.6 | -74.1 | 0 | 0 | 0 | 110.4 | R98 S116 | R98-H118 PolarHBondContact N-O 2.8Å; R98-H118 PolarHBondContact O-N 2.74Å; S116-H118 PolarHBondContact OG-CD2 3.11Å; S116-H118 PolarHBondContact OG-CE1 3.04Å; S116-H118 PolarHBondContact OG-NE2 2.64Å |
| 119 | K | 84.4 | Confident | 83 | Confident | 143 Ų | 143 | 114.7 Ų | 114.7 | 62% | 0.622 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 117.5 | 168.2 | -174.8 | 176.4 | -178.4 | 174.6 | 0 | 109.5 | D96 I97 S121 | D96-K119 HydrophobicContact CB-CG 4.36Å; I97-K119 HydrophobicContact CG1-CB 4.31Å; I97-K119 HydrophobicContact CG1-CD 4.5Å; I97-K119 HydrophobicContact CG1-CG 4.34Å; K119-S121 PolarHBondContact O-N 2.94Å |
| 120 | V | 78.3 | Confident | 83.9 | Confident | 107 Ų | 107 | 115.6 Ų | 115.6 | 65% | 0.648 | 55% | 0.553 | S | S | * | * | trans | -83.8 | 100.5 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 121 | S | 76.2 | Confident | 85.1 | Confident | 81 Ų | 81 | 112.6 Ų | 112.6 | 57% | 0.566 | 55% | 0.549 | S | S | * | . | trans | -98.3 | 122.8 | 173.6 | 69.8 | 0 | 0 | 0 | 0 | 111.1 | K119 | K119-S121 PolarHBondContact O-N 2.94Š| ||
| 122 | K | 82.6 | Confident | 86.1 | Confident | 203 Ų | 203 | 112.8 Ų | 112.8 | 88% | 0.883 | 55% | 0.55 | S | S | * | * | trans | -88.4 | 105.8 | 174.8 | -66.6 | 178.8 | -178 | 173.8 | 0 | 109.2 | ||||
| 123 | K | 84.7 | Confident | 86.6 | Confident | 170 Ų | 170 | 115.6 Ų | 115.6 | 74% | 0.739 | 56% | 0.562 | S | S | * | * | trans | -93.6 | 127.9 | 172.3 | -66.1 | -176.4 | -178 | 180 | 0 | 110.2 | I125 | K123-I125 HydrophobicContact CB-CD1 4.41Å; K123-I125 HydrophobicContact CB-CG1 4.24Å; K123-I125 PolarHBondContact O-N 3.3Å | ||
| 124 | R | 87.7 | Confident | 87 | Confident | 254 Ų | 254 | 117.9 Ų | 117.9 | 96% | 0.958 | 57% | 0.572 | S | S | * | * | trans | -82.1 | 105.6 | 171.9 | -70.3 | -175.9 | 176.3 | -174.7 | -0.5 | 108.8 | ||||
| 125 | I | 86.2 | Confident | 87.3 | Confident | 72 Ų | 72 | 120.5 Ų | 120.5 | 37% | 0.369 | 58% | 0.583 | S | S | . | * | trans | -111.7 | 139 | 179 | -58.8 | 172.7 | 0 | 0 | 0 | 108.1 | K123 I129 I130 | K123-I125 HydrophobicContact CB-CD1 4.41Å; K123-I125 HydrophobicContact CB-CG1 4.24Å; K123-I125 PolarHBondContact O-N 3.3Å; I125-I129 HydrophobicContact CG2-CB 3.51Å; I125-I129 HydrophobicContact CG2-CD1 4.22Å; I125-I129 HydrophobicContact CG2-CG1 4.47Å; I125-I129 HydrophobicContact CG2-CG2 3.41Å; I125-I129 VanDerWaalsContact CG2-CG2 3.41Å; I125-I130 HydrophobicContact CB-CD1 4.48Å; I125-I130 HydrophobicContact CB-CG1 4.23Å; I125-I130 HydrophobicContact CG2-CG1 3.94Å | ||
| 126 | S | 92.3 | Very high | 87.4 | Confident | 61 Ų | 61 | 122.1 Ų | 122.1 | 43% | 0.427 | 60% | 0.595 | S | S | . | * | trans | -64.2 | 146.5 | 178.6 | 73.8 | 0 | 0 | 0 | 0 | 111 | A128 I129 I130 | S126-A128 PolarHBondContact O-N 3.16Å; S126-A128 VanDerWaalsContact O-N 3.15Å; S126-I129 PolarHBondContact O-N 3.24Å; S126-I129 VanDerWaalsContact OG-CD1 3.3Å; S126-I129 WeakPolarHBondContact OG-CD1 3.4Å; S126-I129 VanDerWaalsContact OG-CG1 3.27Å; S126-I129 WeakPolarHBondContact OG-CG1 3.27Å; S126-I129 PolarHBondContact OG-N 2.92Å; S126-I130 PolarHBondContact O-N 3.28Å | ||
| 127 | K | 93.8 | Very high | 87.6 | Confident | 190 Ų | 190 | 125 Ų | 125 | 83% | 0.826 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -54.9 | -36.6 | -179.5 | -67.3 | -177.6 | 179.5 | 179 | 0 | 112.2 | I129 I130 A131 | K127-I129 VanDerWaalsContact C-N 3.35Å; K127-I129 PolarHBondContact O-N 3.27Å; K127-I130 PolarHBondContact O-N 3.05Å; K127-A131 PolarHBondContact O-N 3.04Å |
| 128 | A | 93.8 | Very high | 87.5 | Confident | 59 Ų | 59 | 122.9 Ų | 122.9 | 49% | 0.488 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66 | -32 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S126 R132 | S126-A128 PolarHBondContact O-N 3.16Å; S126-A128 VanDerWaalsContact O-N 3.15Å; A128-R132 WeakPolarHBondContact O-CG 3.34Å; A128-R132 PolarHBondContact O-N 3.13Å; A128-R132 PolarHBondContact O-NE 2.9Å |
| 129 | I | 91.8 | Very high | 87.4 | Confident | 66 Ų | 66 | 124.9 Ų | 124.9 | 34% | 0.338 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.4 | -41.8 | 174.8 | -66.3 | 165.7 | 0 | 0 | 0 | 110 | I125 S126 K127 A131 R132 Q133 | I125-I129 HydrophobicContact CG2-CB 3.51Å; I125-I129 HydrophobicContact CG2-CD1 4.22Å; I125-I129 HydrophobicContact CG2-CG1 4.47Å; I125-I129 HydrophobicContact CG2-CG2 3.41Å; I125-I129 VanDerWaalsContact CG2-CG2 3.41Å; S126-I129 PolarHBondContact O-N 3.24Å; S126-I129 VanDerWaalsContact OG-CD1 3.3Å; S126-I129 WeakPolarHBondContact OG-CD1 3.4Å; S126-I129 VanDerWaalsContact OG-CG1 3.27Å; S126-I129 WeakPolarHBondContact OG-CG1 3.27Å; S126-I129 PolarHBondContact OG-N 2.92Å; K127-I129 VanDerWaalsContact C-N 3.35Å; K127-I129 PolarHBondContact O-N 3.27Å; I129-A131 VanDerWaalsContact C-N 3.32Å; I129-A131 PolarHBondContact O-N 3.49Å; I129-R132 PolarHBondContact O-N 3.35Å; I129-R132 VanDerWaalsContact O-N 3.16Å; I129-Q133 HydrophobicContact CG2-CG 4.44Å; I129-Q133 WeakPolarHBondContact O-CG 3.45Å; I129-Q133 PolarHBondContact O-N 2.96Å |
| 130 | I | 90.6 | Very high | 86.9 | Confident | 71 Ų | 71 | 120.6 Ų | 120.6 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.2 | -42.2 | 176.4 | -61.4 | 172.5 | 0 | 0 | 0 | 110.9 | I125 S126 K127 R132 Q133 K134 | I125-I130 HydrophobicContact CB-CD1 4.48Å; I125-I130 HydrophobicContact CB-CG1 4.23Å; I125-I130 HydrophobicContact CG2-CG1 3.94Å; S126-I130 PolarHBondContact O-N 3.28Å; K127-I130 PolarHBondContact O-N 3.05Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 3.01Å; I130-Q133 PolarHBondContact O-N 3.1Å; I130-K134 WeakPolarHBondContact O-CG 3.38Å; I130-K134 PolarHBondContact O-N 3.37Å |
| 131 | A | 93.6 | Very high | 86.6 | Confident | 61 Ų | 61 | 118.3 Ų | 118.3 | 50% | 0.504 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K127 I129 K134 | K127-A131 PolarHBondContact O-N 3.04Å; I129-A131 VanDerWaalsContact C-N 3.32Å; I129-A131 PolarHBondContact O-N 3.49Å; A131-K134 PolarHBondContact O-N 3.04Å |
| 132 | R | 92.7 | Very high | 86.2 | Confident | 163 Ų | 163 | 121.5 Ų | 121.5 | 62% | 0.615 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.4 | -37.4 | 177.2 | -77.5 | -174.7 | -76.1 | 170.2 | -5.2 | 113.4 | A128 I129 I130 K134 L135 | A128-R132 WeakPolarHBondContact O-CG 3.34Å; A128-R132 PolarHBondContact O-N 3.13Å; A128-R132 PolarHBondContact O-NE 2.9Å; I129-R132 PolarHBondContact O-N 3.35Å; I129-R132 VanDerWaalsContact O-N 3.16Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 3.01Å; R132-K134 PolarHBondContact O-N 3.14Å; R132-L135 HydrophobicContact CB-CD1 4.38Å; R132-L135 HydrophobicContact CG-CD1 4.28Å; R132-L135 WeakPolarHBondContact O-CB 3.36Å; R132-L135 WeakPolarHBondContact O-CG 3.27Å; R132-L135 PolarHBondContact O-N 3.28Å |
| 133 | Q | 88 | Confident | 85.3 | Confident | 137 Ų | 137 | 114.6 Ų | 114.6 | 64% | 0.64 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.3 | -28.7 | 176.6 | -76.1 | -178.9 | -11.9 | 0 | 0 | 113 | I129 I130 L135 | I129-Q133 HydrophobicContact CG2-CG 4.44Å; I129-Q133 WeakPolarHBondContact O-CG 3.45Å; I129-Q133 PolarHBondContact O-N 2.96Å; I130-Q133 PolarHBondContact O-N 3.1Å; Q133-L135 VanDerWaalsContact C-N 3.32Å |
| 134 | K | 90 | Very high | 84.1 | Confident | 171 Ų | 171 | 111.4 Ų | 111.4 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -0.7 | 178 | -68.6 | -177 | 179.9 | -172.4 | 0 | 113.8 | I130 A131 R132 | I130-K134 WeakPolarHBondContact O-CG 3.38Å; I130-K134 PolarHBondContact O-N 3.37Å; A131-K134 PolarHBondContact O-N 3.04Å; R132-K134 PolarHBondContact O-N 3.14Å |
| 135 | L | 89.9 | Confident | 82.7 | Confident | 114 Ų | 114 | 106.2 Ų | 106.2 | 60% | 0.597 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -64.3 | 136.4 | 178 | -72.4 | 169.8 | 0 | 0 | 0 | 110 | R132 Q133 K137 | R132-L135 HydrophobicContact CB-CD1 4.38Å; R132-L135 HydrophobicContact CG-CD1 4.28Å; R132-L135 WeakPolarHBondContact O-CB 3.36Å; R132-L135 WeakPolarHBondContact O-CG 3.27Å; R132-L135 PolarHBondContact O-N 3.28Å; Q133-L135 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.28Å |
| 136 | P | 88 | Confident | 81.3 | Confident | 104 Ų | 104 | 107.3 Ų | 107.3 | 68% | 0.675 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 138.3 | 173.2 | 27.3 | -33.3 | 0 | 0 | 0 | 109.2 | ||
| 137 | K | 86.2 | Confident | 79.5 | Confident | 103 Ų | 103 | 106.6 Ų | 106.6 | 45% | 0.448 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 141.4 | 171 | -57.9 | -176.2 | -172.7 | 175.9 | 0 | 108.8 | L135 S141 K142 D144 | L135-K137 PolarHBondContact O-N 3.28Å; K137-S141 WeakPolarHBondContact CB-O 3.38Å; K137-S141 WeakPolarHBondContact CD-O 3.26Å; K137-K142 WeakPolarHBondContact O-CE 3.2Å; K137-K142 WeakPolarHBondContact O-CG 3.48Å; K137-D144 IonicContact NZ-OD1 3.13Å; K137-D144 PolarHBondContact NZ-OD1 2.83Å |
| 138 | F | 84.5 | Confident | 77.9 | Confident | 146 Ų | 146 | 102.6 Ų | 102.6 | 64% | 0.64 | 55% | 0.55 | S | S | * | * | trans | -126.9 | 162.9 | -177.3 | 59.7 | -86.4 | 0 | 0 | 0 | 110.8 | S141 | F138-S141 PolarHBondContact O-N 3.27Š| ||
| 139 | L | 79.5 | Confident | 76.5 | Confident | 146 Ų | 146 | 103.3 Ų | 103.3 | 76% | 0.764 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | 51.3 | -138.3 | -178.9 | -62.2 | 166.8 | 0 | 0 | 0 | 112 | S141 K142 | L139-S141 PolarHBondContact O-N 3.38Å; L139-K142 PolarHBondContact O-N 3.46Å; L139-K142 VanDerWaalsContact O-N 3.16Å |
| 140 | G | 73.6 | Confident | 75.5 | Confident | 53 Ų | 53 | 107.5 Ų | 107.5 | 55% | 0.546 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -67.9 | 2.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 141 | S | 73.2 | Confident | 74.7 | Confident | 59 Ų | 59 | 108.2 Ų | 108.2 | 41% | 0.413 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -93.6 | -4.3 | 171.7 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | K137 F138 L139 | K137-S141 WeakPolarHBondContact CB-O 3.38Å; K137-S141 WeakPolarHBondContact CD-O 3.26Å; F138-S141 PolarHBondContact O-N 3.27Å; L139-S141 PolarHBondContact O-N 3.38Å |
| 142 | K | 68.4 | Low | 73.8 | Confident | 149 Ų | 149 | 110 Ų | 110 | 65% | 0.648 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -73.1 | -31 | 175.4 | -80.8 | -172.8 | 174 | -179 | 0 | 113.2 | K137 L139 D144 | K137-K142 WeakPolarHBondContact O-CE 3.2Å; K137-K142 WeakPolarHBondContact O-CG 3.48Å; L139-K142 PolarHBondContact O-N 3.46Å; L139-K142 VanDerWaalsContact O-N 3.16Å; K142-D144 PolarHBondContact O-N 2.8Å; K142-D144 VanDerWaalsContact O-N 3.11Å |
| 143 | A | 62.8 | Low | 72.7 | Confident | 57 Ų | 57 | 109.8 Ų | 109.8 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -77 | 96.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | D145 D146 | A143-D145 PolarHBondContact O-N 2.95Å; A143-D146 PolarHBondContact O-N 3.33Å |
| 144 | D | 60 | Low | 71.9 | Confident | 103 Ų | 103 | 110.7 Ų | 110.7 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -53.7 | -22.1 | 178.1 | -75 | -44.9 | 0 | 0 | 0 | 112.2 | K137 K142 D146 T147 | K137-D144 IonicContact NZ-OD1 3.13Å; K137-D144 PolarHBondContact NZ-OD1 2.83Å; K142-D144 PolarHBondContact O-N 2.8Å; K142-D144 VanDerWaalsContact O-N 3.11Å; D144-D146 PolarHBondContact O-N 2.87Å; D144-T147 PolarHBondContact O-N 2.86Å; D144-T147 PolarHBondContact O-OG1 3.28Å |
| 145 | D | 58.6 | Low | 71.1 | Confident | 145 Ų | 145 | 110.4 Ų | 110.4 | 78% | 0.775 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -59.5 | -38.3 | -177.3 | -140.6 | 26.1 | 0 | 0 | 0 | 114.1 | A143 | A143-D145 PolarHBondContact O-N 2.95Š|
| 146 | D | 56.1 | Low | 70.5 | Confident | 96 Ų | 96 | 112.6 Ų | 112.6 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -97.9 | -7 | -174.4 | -91.3 | -5.8 | 0 | 0 | 0 | 114.1 | A143 D144 I148 G149 | A143-D146 PolarHBondContact O-N 3.33Å; D144-D146 PolarHBondContact O-N 2.87Å; D146-I148 PolarHBondContact O-N 3.02Å; D146-G149 PolarHBondContact O-N 3.01Å |
| 147 | T | 55.8 | Low | 70.1 | Confident | 45 Ų | 45 | 115.9 Ų | 115.9 | 28% | 0.276 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.3 | -31.5 | -179.1 | -11.5 | 0 | 0 | 0 | 0 | 111.4 | D144 G149 K150 T151 | D144-T147 PolarHBondContact O-N 2.86Å; D144-T147 PolarHBondContact O-OG1 3.28Å; T147-G149 PolarHBondContact O-N 3.03Å; T147-K150 PolarHBondContact O-N 3.05Å; T147-T151 PolarHBondContact O-OG1 2.81Å |
| 148 | I | 58.4 | Low | 69.9 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 55% | 0.549 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.4 | -32.2 | 179.9 | -65 | 171.3 | 0 | 0 | 0 | 111.2 | D146 Y153 | D146-I148 PolarHBondContact O-N 3.02Å; I148-Y153 HydrophobicContact CB-CE2 4.08Å; I148-Y153 HydrophobicContact CG1-CE2 4.26Å; I148-Y153 WeakPolarHBondContact CG1-OH 3.31Å; I148-Y153 HydrophobicContact CG2-CD2 4.48Å; I148-Y153 HydrophobicContact CG2-CE2 3.69Å |
| 149 | G | 65.7 | Low | 69.8 | Low | 74 Ų | 74 | 117.3 Ų | 117.3 | 76% | 0.763 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -85.3 | -21.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D146 T147 | D146-G149 PolarHBondContact O-N 3.01Å; T147-G149 PolarHBondContact O-N 3.03Å |
| 150 | K | 71 | Confident | 69.7 | Low | 153 Ų | 153 | 117 Ų | 117 | 67% | 0.665 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -94 | -20 | -173.7 | -69 | 176.1 | -174.9 | 163.4 | 0 | 114 | T147 | T147-K150 PolarHBondContact O-N 3.05Å |
| 151 | T | 73.3 | Confident | 69.8 | Low | 86 Ų | 86 | 121.3 Ų | 121.3 | 53% | 0.528 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -118.4 | 127.7 | 175.6 | 46.9 | 0 | 0 | 0 | 0 | 109.6 | T147 | T147-T151 PolarHBondContact O-OG1 2.81Š|
| 152 | S | 75.4 | Confident | 69.7 | Low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 65% | 0.654 | S | S | * | * | trans | -65.9 | 133.5 | 174.5 | 60.9 | 0 | 0 | 0 | 0 | 110.3 | H154 | S152-H154 VanDerWaalsContact C-N 3.33Š| ||
| 153 | Y | 69 | Low | 69.7 | Low | 160 Ų | 160 | 123.6 Ų | 123.6 | 63% | 0.627 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -82.5 | -18 | 169.6 | -76.9 | -89.7 | 0 | 0 | 0 | 112.6 | I148 | I148-Y153 HydrophobicContact CB-CE2 4.08Å; I148-Y153 HydrophobicContact CG1-CE2 4.26Å; I148-Y153 WeakPolarHBondContact CG1-OH 3.31Å; I148-Y153 HydrophobicContact CG2-CD2 4.48Å; I148-Y153 HydrophobicContact CG2-CE2 3.69Å |
| 154 | H | 71.5 | Confident | 69.7 | Low | 155 Ų | 155 | 132.7 Ų | 132.7 | 72% | 0.718 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -87 | 125.9 | -179.6 | -69.1 | -70.5 | 0 | 0 | 0 | 109.8 | S152 E156 | S152-H154 VanDerWaalsContact C-N 3.33Å; H154-E156 PolarHBondContact O-N 2.89Å |
| 155 | D | 71.7 | Confident | 70 | Confident | 166 Ų | 166 | 130.8 Ų | 130.8 | 89% | 0.888 | 66% | 0.659 | S | S | * | * | trans | -73.3 | 107.3 | 169.2 | -66.8 | -22.8 | 0 | 0 | 0 | 107.6 | ||||
| 156 | E | 78.4 | Confident | 70.1 | Confident | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | trans | -79.5 | 118.5 | 169.7 | -69.9 | -177 | 178.7 | 0 | 0 | 109 | H154 V158 | H154-E156 PolarHBondContact O-N 2.89Å; E156-V158 PolarHBondContact O-N 2.86Å | ||
| 157 | E | 79.4 | Confident | 70.3 | Confident | 174 Ų | 174 | 135.3 Ų | 135.3 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | trans | -74.1 | 94.9 | 176 | -165.2 | -176.3 | -178.1 | 0 | 0 | 110.2 | K159 | E157-K159 PolarHBondContact O-N 3.4Š| ||
| 158 | V | 82.4 | Confident | 70.3 | Confident | 101 Ų | 101 | 134.3 Ų | 134.3 | 61% | 0.612 | 67% | 0.668 | S | S | * | * | trans | -87.8 | 106 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | E156 M160 | E156-V158 PolarHBondContact O-N 2.86Å; V158-M160 HydrophobicContact CG1-CG 4.17Å; V158-M160 PolarHBondContact O-N 2.7Å; V158-M160 VanDerWaalsContact O-N 3.08Å | ||
| 159 | K | 81 | Confident | 70.2 | Confident | 177 Ų | 177 | 134.8 Ų | 134.8 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | trans | -73.6 | 98.1 | 172.2 | -70.6 | -178.8 | -177.2 | 174.6 | 0 | 110.2 | E157 | E157-K159 PolarHBondContact O-N 3.4Š| ||
| 160 | M | 79.3 | Confident | 69.8 | Low | 141 Ų | 141 | 138.1 Ų | 138.1 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | trans | -84.5 | 117.8 | 171.7 | -70 | -179.8 | -83.4 | 0 | 0 | 110.3 | V158 F162 | V158-M160 HydrophobicContact CG1-CG 4.17Å; V158-M160 PolarHBondContact O-N 2.7Å; V158-M160 VanDerWaalsContact O-N 3.08Å; M160-F162 HydrophobicContact CB-CE2 4.42Å | ||
| 161 | Q | 74.3 | Confident | 69.2 | Low | 143 Ų | 143 | 136.2 Ų | 136.2 | 67% | 0.668 | 66% | 0.664 | S | S | * | * | trans | -92.5 | 116.7 | 168.4 | -74.1 | -179.8 | -27.9 | 0 | 0 | 109.5 | I163 | Q161-I163 PolarHBondContact O-N 3.02Š| ||
| 162 | F | 71.8 | Confident | 68.5 | Low | 178 Ų | 178 | 136.8 Ų | 136.8 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | trans | -82.4 | 89.8 | 175.1 | -64.9 | -86.2 | 0 | 0 | 0 | 109.8 | M160 R164 | M160-F162 HydrophobicContact CB-CE2 4.42Å; F162-R164 PolarHBondContact O-N 2.83Å | ||
| 163 | I | 67.7 | Low | 67.6 | Low | 77 Ų | 77 | 139.7 Ų | 139.7 | 40% | 0.395 | 66% | 0.658 | S | S | . | * | trans | -76.7 | 120.2 | 177.5 | -52.7 | 173.9 | 0 | 0 | 0 | 108.9 | Q161 S165 E169 | Q161-I163 PolarHBondContact O-N 3.02Å; I163-S165 VanDerWaalsContact C-N 3.33Å; I163-S165 WeakPolarHBondContact CG2-O 3.34Å; I163-S165 PolarHBondContact O-N 3.42Å; I163-E169 HydrophobicContact CD1-CG 4.33Å | ||
| 164 | R | 63.5 | Low | 67 | Low | 249 Ų | 249 | 134 Ų | 134 | 94% | 0.94 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -81.4 | 0 | -174.9 | -70.8 | -174.5 | 176.9 | -175.4 | -0.7 | 115 | F162 | F162-R164 PolarHBondContact O-N 2.83Š|
| 165 | S | 66.5 | Low | 66.3 | Low | 63 Ų | 63 | 135.2 Ų | 135.2 | 44% | 0.441 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -164.5 | 145.9 | 176.2 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | I163 T167 G168 | I163-S165 VanDerWaalsContact C-N 3.33Å; I163-S165 WeakPolarHBondContact CG2-O 3.34Å; I163-S165 PolarHBondContact O-N 3.42Å; S165-T167 WeakPolarHBondContact CB-OG1 3.31Å; S165-T167 PolarHBondContact O-N 3.37Å; S165-T167 PolarHBondContact OG-OG1 3.45Å; S165-G168 PolarHBondContact O-N 3.01Å |
| 166 | R | 60.3 | Low | 65.6 | Low | 236 Ų | 236 | 130.3 Ų | 130.3 | 89% | 0.891 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -16.4 | 176.4 | -162.7 | 177.4 | -167 | 171.2 | 3.9 | 114.1 | ||
| 167 | T | 59.1 | Low | 64.5 | Low | 100 Ų | 100 | 129.2 Ų | 129.2 | 61% | 0.613 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -20.8 | 177.9 | 44.4 | 0 | 0 | 0 | 0 | 114.3 | S165 | S165-T167 WeakPolarHBondContact CB-OG1 3.31Å; S165-T167 PolarHBondContact O-N 3.37Å; S165-T167 PolarHBondContact OG-OG1 3.45Å |
| 168 | G | 57.5 | Low | 63.1 | Low | 24 Ų | 24 | 128.3 Ų | 128.3 | 25% | 0.247 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -71.3 | -33.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S165 L170 L171 E172 | S165-G168 PolarHBondContact O-N 3.01Å; G168-L170 VanDerWaalsContact C-N 3.31Å; G168-L170 PolarHBondContact O-N 3.34Å; G168-L171 PolarHBondContact O-N 2.78Å; G168-E172 PolarHBondContact O-N 3.14Å |
| 169 | E | 55.4 | Low | 61.5 | Low | 117 Ų | 117 | 130.9 Ų | 130.9 | 55% | 0.547 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65 | -33.3 | -176 | -145.1 | 170.6 | -159.7 | 0 | 0 | 112.5 | I163 Y173 | I163-E169 HydrophobicContact CD1-CG 4.33Å; E169-Y173 WeakPolarHBondContact O-CB 3.33Å; E169-Y173 PolarHBondContact O-N 3.4Å |
| 170 | L | 57.3 | Low | 59.9 | Low | 143 Ų | 143 | 126 Ų | 126 | 75% | 0.749 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.1 | -32.8 | 178.6 | -148.4 | 117.8 | 0 | 0 | 0 | 112.5 | G168 S174 | G168-L170 VanDerWaalsContact C-N 3.31Å; G168-L170 PolarHBondContact O-N 3.34Å; L170-S174 WeakPolarHBondContact O-CB 3.44Å; L170-S174 PolarHBondContact O-N 3.37Å; L170-S174 VanDerWaalsContact O-N 3.07Å; L170-S174 PolarHBondContact O-OG 3.44Å; L170-S174 VanDerWaalsContact O-OG 3.11Å |
| 171 | L | 58.7 | Low | 58.4 | Low | 113 Ų | 113 | 121.4 Ų | 121.4 | 59% | 0.592 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -79.4 | -32.3 | 179.7 | -91.6 | 159.2 | 0 | 0 | 0 | 112.9 | G168 S174 R175 | G168-L171 PolarHBondContact O-N 2.78Å; L171-S174 VanDerWaalsContact CA-OG 3.27Å; L171-S174 WeakPolarHBondContact CA-OG 3.42Å; L171-S174 PolarHBondContact O-OG 3.49Å; L171-R175 WeakPolarHBondContact O-CB 3.46Å; L171-R175 PolarHBondContact O-N 3.42Å |
| 172 | E | 57.5 | Low | 57.3 | Low | 98 Ų | 98 | 119.8 Ų | 119.8 | 46% | 0.458 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -77.9 | -36.9 | 175.6 | -130.4 | 167.5 | -175.3 | 0 | 0 | 111.1 | G168 R175 S176 | G168-E172 PolarHBondContact O-N 3.14Å; E172-R175 PolarHBondContact O-N 3.21Å; E172-S176 VanDerWaalsContact O-CB 3.27Å; E172-S176 WeakPolarHBondContact O-CB 3.44Å; E172-S176 PolarHBondContact O-N 3.43Å; E172-S176 PolarHBondContact O-OG 3.41Å |
| 173 | Y | 57 | Low | 56.1 | Low | 160 Ų | 160 | 117.3 Ų | 117.3 | 63% | 0.627 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.5 | -48.9 | 166.8 | -110.1 | -91.9 | 0 | 0 | 0 | 111.1 | E169 R175 S176 E177 | E169-Y173 WeakPolarHBondContact O-CB 3.33Å; E169-Y173 PolarHBondContact O-N 3.4Å; Y173-R175 PolarHBondContact O-N 3.44Å; Y173-S176 WeakPolarHBondContact CA-OG 3.16Å; Y173-S176 PolarHBondContact O-N 3.11Å; Y173-S176 VanDerWaalsContact O-N 3.14Å; Y173-S176 PolarHBondContact O-OG 3.01Å; Y173-E177 PolarHBondContact O-N 3.39Å |
| 174 | S | 56.8 | Low | 55.1 | Low | 41 Ų | 41 | 124.4 Ų | 124.4 | 29% | 0.287 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.3 | -37.8 | 179.1 | 62 | 0 | 0 | 0 | 0 | 113 | L170 L171 S176 E177 E178 | L170-S174 WeakPolarHBondContact O-CB 3.44Å; L170-S174 PolarHBondContact O-N 3.37Å; L170-S174 VanDerWaalsContact O-N 3.07Å; L170-S174 PolarHBondContact O-OG 3.44Å; L170-S174 VanDerWaalsContact O-OG 3.11Å; L171-S174 VanDerWaalsContact CA-OG 3.27Å; L171-S174 WeakPolarHBondContact CA-OG 3.42Å; L171-S174 PolarHBondContact O-OG 3.49Å; S174-S176 VanDerWaalsContact C-N 3.34Å; S174-S176 PolarHBondContact O-N 3.17Å; S174-E177 PolarHBondContact O-N 2.95Å; S174-E178 WeakPolarHBondContact O-CB 3.38Å; S174-E178 VanDerWaalsContact O-CG 3.24Å; S174-E178 WeakPolarHBondContact O-CG 3.27Å; S174-E178 PolarHBondContact O-N 3.48Å |
| 175 | R | 57.3 | Low | 54.2 | Low | 180 Ų | 180 | 117.7 Ų | 117.7 | 68% | 0.679 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.5 | -31.7 | 172.8 | -84.3 | 177.5 | 91 | 163.4 | 5.1 | 112.9 | L171 E172 Y173 N179 | L171-R175 WeakPolarHBondContact O-CB 3.46Å; L171-R175 PolarHBondContact O-N 3.42Å; E172-R175 PolarHBondContact O-N 3.21Å; Y173-R175 PolarHBondContact O-N 3.44Å; R175-N179 WeakPolarHBondContact O-CB 3.45Å; R175-N179 PolarHBondContact O-N 2.94Å; R175-N179 VanDerWaalsContact O-N 3.09Å |
| 176 | S | 56.2 | Low | 53 | Low | 63 Ų | 63 | 120.8 Ų | 120.8 | 44% | 0.441 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -73.8 | -33.2 | 175.9 | 71.6 | 0 | 0 | 0 | 0 | 112 | E172 Y173 S174 A180 | E172-S176 VanDerWaalsContact O-CB 3.27Å; E172-S176 WeakPolarHBondContact O-CB 3.44Å; E172-S176 PolarHBondContact O-N 3.43Å; E172-S176 PolarHBondContact O-OG 3.41Å; Y173-S176 WeakPolarHBondContact CA-OG 3.16Å; Y173-S176 PolarHBondContact O-N 3.11Å; Y173-S176 VanDerWaalsContact O-N 3.14Å; Y173-S176 PolarHBondContact O-OG 3.01Å; S174-S176 VanDerWaalsContact C-N 3.34Å; S174-S176 PolarHBondContact O-N 3.17Å; S176-A180 WeakPolarHBondContact O-CB 3.47Å; S176-A180 PolarHBondContact O-N 2.9Å |
| 177 | E | 56 | Low | 52.3 | Low | 136 Ų | 136 | 114 Ų | 114 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.6 | -34.2 | 171.7 | -72.1 | -174.1 | 145.5 | 0 | 0 | 112.7 | Y173 S174 A180 | Y173-E177 PolarHBondContact O-N 3.39Å; S174-E177 PolarHBondContact O-N 2.95Å; E177-A180 CarbonylContact O-C 3.41Å |
| 178 | E | 50.2 | Low | 51.8 | Low | 155 Ų | 155 | 116.6 Ų | 116.6 | 72% | 0.724 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.6 | -29 | 175.1 | -73.2 | 178.3 | 152.8 | 0 | 0 | 113 | S174 | S174-E178 WeakPolarHBondContact O-CB 3.38Å; S174-E178 VanDerWaalsContact O-CG 3.24Å; S174-E178 WeakPolarHBondContact O-CG 3.27Å; S174-E178 PolarHBondContact O-N 3.48Å |
| 179 | N | 47.9 | Very low | 51.7 | Low | 154 Ų | 154 | 123 Ų | 123 | 82% | 0.824 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -91.7 | -19.3 | 172.9 | -95.5 | -16.5 | 0 | 0 | 0 | 113.9 | R175 G181 | R175-N179 WeakPolarHBondContact O-CB 3.45Å; R175-N179 PolarHBondContact O-N 2.94Å; R175-N179 VanDerWaalsContact O-N 3.09Å; N179-G181 PolarHBondContact O-N 3.12Å |
| 180 | A | 47.7 | Very low | 52.1 | Low | 74 Ų | 74 | 127.5 Ų | 127.5 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -92.7 | 56.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S176 E177 | S176-A180 WeakPolarHBondContact O-CB 3.47Å; S176-A180 PolarHBondContact O-N 2.9Å; E177-A180 CarbonylContact O-C 3.41Å |
| 181 | G | 47.9 | Very low | 53.1 | Low | 45 Ų | 45 | 124.4 Ų | 124.4 | 46% | 0.464 | 64% | 0.641 | S | S | . | * | trans | -52.1 | 151.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N179 | N179-G181 PolarHBondContact O-N 3.12Š| ||
| 182 | P | 50.7 | Low | 54 | Low | 110 Ų | 110 | 119.1 Ų | 119.1 | 71% | 0.714 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -50.4 | 150.3 | 178 | 23.6 | -34 | 0 | 0 | 0 | 109.6 | R184 | P182-R184 PolarHBondContact O-N 3.06Š|
| 183 | P | 47.9 | Very low | 54.9 | Low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 63% | 0.632 | S | S | * | * | trans | -51.4 | 109.5 | -178.5 | 23.3 | -32.9 | 0 | 0 | 0 | 107 | P185 | P183-P185 WeakPolarHBondContact O-CD 3.48Š| ||
| 184 | R | 46.9 | Very low | 56 | Low | 227 Ų | 227 | 121 Ų | 121 | 86% | 0.857 | 62% | 0.616 | S | S | * | * | trans | -53.8 | 119.4 | -176 | -69.8 | -177.2 | 179.6 | -154.4 | -0.1 | 104.9 | P182 T186 | P182-R184 PolarHBondContact O-N 3.06Å; R184-T186 PolarHBondContact O-N 3.46Å | ||
| 185 | P | 43.2 | Very low | 57 | Low | 108 Ų | 108 | 120.4 Ų | 120.4 | 70% | 0.701 | 61% | 0.611 | S | S | * | * | trans | -54.2 | 127.4 | 172.2 | 24.2 | -31.9 | 0 | 0 | 0 | 104.6 | P183 V187 | P183-P185 WeakPolarHBondContact O-CD 3.48Å; P185-V187 VanDerWaalsContact C-N 3.28Å; P185-V187 VanDerWaalsContact O-CG2 3.23Å; P185-V187 WeakPolarHBondContact O-CG2 3.48Å; P185-V187 PolarHBondContact O-N 3Å | ||
| 186 | T | 41.7 | Very low | 57.9 | Low | 128 Ų | 128 | 120.2 Ų | 120.2 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | trans | -47.8 | 97.7 | -178.8 | -62.3 | 0 | 0 | 0 | 0 | 108.5 | R184 Q188 | R184-T186 PolarHBondContact O-N 3.46Å; T186-Q188 HydrophobicContact CG2-CG 4.37Å; T186-Q188 PolarHBondContact O-N 3.08Å | ||
| 187 | V | 45.9 | Very low | 58.8 | Low | 94 Ų | 94 | 118.9 Ų | 118.9 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | trans | -75.3 | 95.1 | 177.6 | -170.3 | 0 | 0 | 0 | 0 | 103.1 | P185 F189 | P185-V187 VanDerWaalsContact C-N 3.28Å; P185-V187 VanDerWaalsContact O-CG2 3.23Å; P185-V187 WeakPolarHBondContact O-CG2 3.48Å; P185-V187 PolarHBondContact O-N 3Å; V187-F189 HydrophobicContact CB-CE2 4.47Å; V187-F189 VanDerWaalsContact O-CD2 3.28Å; V187-F189 WeakPolarHBondContact O-CD2 3.43Å; V187-F189 PolarHBondContact O-N 3.07Å | ||
| 188 | Q | 48.3 | Very low | 60 | Low | 154 Ų | 154 | 117.2 Ų | 117.2 | 72% | 0.72 | 61% | 0.606 | S | S | * | * | trans | -60.9 | 92.2 | 168.9 | -72.5 | -179.8 | -13 | 0 | 0 | 106.5 | T186 R190 | T186-Q188 HydrophobicContact CG2-CG 4.37Å; T186-Q188 PolarHBondContact O-N 3.08Å; Q188-R190 PolarHBondContact O-N 3.28Å | ||
| 189 | F | 55.8 | Low | 61.3 | Low | 158 Ų | 158 | 118.3 Ų | 118.3 | 69% | 0.693 | 61% | 0.611 | S | S | * | * | trans | -58.2 | 107.5 | 170.9 | -70.5 | -80.5 | 0 | 0 | 0 | 107.1 | V187 V191 | V187-F189 HydrophobicContact CB-CE2 4.47Å; V187-F189 VanDerWaalsContact O-CD2 3.28Å; V187-F189 WeakPolarHBondContact O-CD2 3.43Å; V187-F189 PolarHBondContact O-N 3.07Å; F189-V191 PolarHBondContact O-N 3.31Å | ||
| 190 | R | 63.5 | Low | 62.8 | Low | 211 Ų | 211 | 112.5 Ų | 112.5 | 80% | 0.796 | 58% | 0.579 | S | S | * | * | trans | -73.4 | 98.1 | 175.2 | -70.6 | -162.2 | -178 | -128.3 | 3.8 | 107.9 | Q188 | Q188-R190 PolarHBondContact O-N 3.28Š| ||
| 191 | V | 77.6 | Confident | 64.3 | Low | 78 Ų | 78 | 118 Ų | 118 | 47% | 0.473 | 58% | 0.584 | S | S | . | * | trans | -80 | 143.3 | 171.7 | -109.2 | 0 | 0 | 0 | 0 | 110.3 | F189 R193 K196 T198 | F189-V191 PolarHBondContact O-N 3.31Å; V191-R193 PolarHBondContact O-N 2.96Å; V191-K196 WeakPolarHBondContact CG1-O 3.31Å; V191-T198 HydrophobicContact CG1-CG2 3.89Å | ||
| 192 | C | 79 | Confident | 65.7 | Low | 2 Ų | 2 | 118.3 Ų | 118.3 | 1% | 0.014 | 58% | 0.578 | C | S | . | * | trans | -57.7 | 131.8 | 173.8 | 176 | 0 | 0 | 0 | 0 | 110.9 | Y194 C195 K196 S197 H200 | C192-Y194 PolarHBondContact O-N 2.81Å; C192-Y194 PolarHBondContact SG-N 3.4Å; C192-C195 VanDerWaalsContact SG-SG 3.66Å; C192-K196 VanDerWaalsContact O-CA 3.27Å; C192-K196 WeakPolarHBondContact O-CA 3.42Å; C192-K196 PolarHBondContact O-N 2.96Å; C192-S197 PolarHBondContact N-O 2.92Å; C192-H200 WeakPolarHBondContact CB-NE2 3.22Å; C192-H200 VanDerWaalsContact SG-CD2 3.52Å; C192-H200 PolarHBondContact SG-NE2 3.49Å | ||
| 193 | R | 75.2 | Confident | 67.1 | Low | 223 Ų | 223 | 118.4 Ų | 118.4 | 84% | 0.842 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -19.2 | -176.4 | -163.5 | 167 | 173.6 | 116.5 | -4.8 | 114.1 | V191 | V191-R193 PolarHBondContact O-N 2.96Š|
| 194 | Y | 80.5 | Confident | 68.4 | Low | 74 Ų | 74 | 119.3 Ų | 119.3 | 29% | 0.29 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.8 | -55.3 | -179.2 | -60.4 | -81.7 | 0 | 0 | 0 | 111.7 | C192 S202 C205 K208 | C192-Y194 PolarHBondContact O-N 2.81Å; C192-Y194 PolarHBondContact SG-N 3.4Å; Y194-S202 VanDerWaalsContact CE2-O 3.27Å; Y194-S202 WeakPolarHBondContact CE2-O 3.33Å; Y194-C205 HydrophobicContact CD2-CB 3.85Å; Y194-C205 HydrophobicContact CG-CB 4.47Å; Y194-K208 HydrophobicContact CE1-CG 4.45Å; Y194-K208 HydrophobicContact CE2-CG 4.27Å |
| 195 | C | 78.1 | Confident | 70 | Confident | 29 Ų | 29 | 109 Ų | 109 | 20% | 0.196 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 1.4 | -173.2 | 67.7 | 0 | 0 | 0 | 0 | 115.4 | C192 S197 H200 Y207 | C192-C195 VanDerWaalsContact SG-SG 3.66Å; C195-S197 PolarHBondContact O-N 3.18Å; C195-S197 PolarHBondContact SG-OG 3.4Å; C195-H200 PolarHBondContact SG-CE1 3.24Å; C195-H200 PolarHBondContact SG-NE2 3.41Å; C195-Y207 HydrophobicContact CB-CD2 3.58Å; C195-Y207 HydrophobicContact CB-CE2 4.28Å; C195-Y207 HydrophobicContact CB-CG 4.33Å |
| 196 | K | 76.1 | Confident | 71.9 | Confident | 177 Ų | 177 | 108.4 Ų | 108.4 | 77% | 0.77 | 53% | 0.531 | S | S | * | . | trans | 56.5 | 20.3 | 179.6 | -56.3 | 178.6 | -179 | 176.6 | 0 | 115.2 | V191 C192 | V191-K196 WeakPolarHBondContact CG1-O 3.31Å; C192-K196 VanDerWaalsContact O-CA 3.27Å; C192-K196 WeakPolarHBondContact O-CA 3.42Å; C192-K196 PolarHBondContact O-N 2.96Å | ||
| 197 | S | 74.6 | Confident | 73.6 | Confident | 34 Ų | 34 | 108 Ų | 108 | 24% | 0.238 | 52% | 0.516 | C | S | . | . | trans | -87.2 | 156.6 | 172.4 | 73.5 | 0 | 0 | 0 | 0 | 111.4 | C192 C195 H200 | C192-S197 PolarHBondContact N-O 2.92Å; C195-S197 PolarHBondContact O-N 3.18Å; C195-S197 PolarHBondContact SG-OG 3.4Å; S197-H200 PolarHBondContact OG-CE1 3.38Å; S197-H200 PolarHBondContact OG-ND1 3.41Å | ||
| 198 | T | 80.5 | Confident | 74.9 | Confident | 102 Ų | 102 | 107.6 Ų | 107.6 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -91.5 | 0.6 | -179.1 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | V191 | V191-T198 HydrophobicContact CG1-CG2 3.89Š|
| 199 | E | 77.7 | Confident | 75.9 | Confident | 177 Ų | 177 | 108.4 Ų | 108.4 | 83% | 0.827 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -93.8 | -13 | -168.7 | -98.4 | 162.7 | 161 | 0 | 0 | 115.2 | ||
| 200 | H | 80.3 | Confident | 76.4 | Confident | 33 Ų | 33 | 106.8 Ų | 106.8 | 15% | 0.153 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -150.1 | 157.9 | -179.5 | 59.1 | -96.1 | 0 | 0 | 0 | 112.4 | C192 C195 S197 C205 P206 | C192-H200 WeakPolarHBondContact CB-NE2 3.22Å; C192-H200 VanDerWaalsContact SG-CD2 3.52Å; C192-H200 PolarHBondContact SG-NE2 3.49Å; C195-H200 PolarHBondContact SG-CE1 3.24Å; C195-H200 PolarHBondContact SG-NE2 3.41Å; S197-H200 PolarHBondContact OG-CE1 3.38Å; S197-H200 PolarHBondContact OG-ND1 3.41Å; H200-C205 VanDerWaalsContact CD2-CA 3.42Å; H200-C205 WeakPolarHBondContact CD2-CA 3.32Å; H200-C205 WeakPolarHBondContact NE2-CA 3.47Å; H200-C205 PolarHBondContact NE2-SG 2.81Å; H200-C205 VanDerWaalsContact NE2-SG 3.38Å; H200-P206 VanDerWaalsContact CE1-CD 3.43Å; H200-P206 WeakPolarHBondContact CE1-CD 3.22Å; H200-P206 WeakPolarHBondContact NE2-CD 3.32Å |
| 201 | W | 78.2 | Confident | 76.4 | Confident | 190 Ų | 190 | 103.6 Ų | 103.6 | 72% | 0.72 | 50% | 0.497 | S | S | * | . | trans | -76.7 | 152.9 | 173.1 | -65.9 | -13.8 | 0 | 0 | 0 | 111.3 | T203 M204 C205 | W201-T203 PolarHBondContact O-N 3.26Å; W201-M204 CarbonylContact O-C 3.55Å; W201-M204 WeakPolarHBondContact O-CA 3.49Å; W201-M204 PolarHBondContact O-N 3.05Å; W201-C205 PolarHBondContact O-N 2.96Å | ||
| 202 | S | 78.9 | Confident | 75.4 | Confident | 50 Ų | 50 | 104.9 Ų | 104.9 | 35% | 0.35 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -57.5 | -20.6 | 177.4 | 37.5 | 0 | 0 | 0 | 0 | 114.1 | Y194 | Y194-S202 VanDerWaalsContact CE2-O 3.27Å; Y194-S202 WeakPolarHBondContact CE2-O 3.33Å |
| 203 | T | 79 | Confident | 74.3 | Confident | 112 Ų | 112 | 111.8 Ų | 111.8 | 69% | 0.687 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -77.4 | -19.5 | 173 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | W201 | W201-T203 PolarHBondContact O-N 3.26Š|
| 204 | M | 75.8 | Confident | 72.6 | Confident | 144 Ų | 144 | 109.7 Ų | 109.7 | 71% | 0.709 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -119.2 | 29.5 | -175.2 | -67 | -76 | -79 | 0 | 0 | 111.2 | W201 P206 | W201-M204 CarbonylContact O-C 3.55Å; W201-M204 WeakPolarHBondContact O-CA 3.49Å; W201-M204 PolarHBondContact O-N 3.05Å; M204-P206 WeakPolarHBondContact O-CD 3.31Å |
| 205 | C | 80.5 | Confident | 70.9 | Confident | 12 Ų | 12 | 115.8 Ų | 115.8 | 8% | 0.081 | 56% | 0.561 | C | S | . | * | trans | -76 | 118.4 | -176.2 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | Y194 H200 W201 Y207 K208 | Y194-C205 HydrophobicContact CD2-CB 3.85Å; Y194-C205 HydrophobicContact CG-CB 4.47Å; H200-C205 VanDerWaalsContact CD2-CA 3.42Å; H200-C205 WeakPolarHBondContact CD2-CA 3.32Å; H200-C205 WeakPolarHBondContact NE2-CA 3.47Å; H200-C205 PolarHBondContact NE2-SG 2.81Å; H200-C205 VanDerWaalsContact NE2-SG 3.38Å; W201-C205 PolarHBondContact O-N 2.96Å; C205-Y207 PolarHBondContact O-N 3.12Å; C205-Y207 VanDerWaalsContact O-N 3.11Å; C205-Y207 PolarHBondContact SG-N 3.17Å; C205-Y207 VanDerWaalsContact SG-N 3.39Å; C205-K208 HydrophobicContact CB-CB 4.24Å; C205-K208 VanDerWaalsContact O-CB 3.31Å; C205-K208 WeakPolarHBondContact O-CB 3.49Å; C205-K208 PolarHBondContact O-N 3.38Å; C205-K208 VanDerWaalsContact O-N 3.08Å | ||
| 206 | P | 81.7 | Confident | 69 | Low | 94 Ų | 94 | 120.5 Ų | 120.5 | 61% | 0.61 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -22.8 | 175.9 | -19.6 | 31.6 | 0 | 0 | 0 | 113 | H200 M204 | H200-P206 VanDerWaalsContact CE1-CD 3.43Å; H200-P206 WeakPolarHBondContact CE1-CD 3.22Å; H200-P206 WeakPolarHBondContact NE2-CD 3.32Å; M204-P206 WeakPolarHBondContact O-CD 3.31Å |
| 207 | Y | 77.7 | Confident | 66.9 | Low | 120 Ų | 120 | 120 Ų | 120 | 47% | 0.471 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.8 | 12.8 | -178.9 | -50.9 | -73.4 | 0 | 0 | 0 | 113.3 | C195 C205 E209 L210 Y211 | C195-Y207 HydrophobicContact CB-CD2 3.58Å; C195-Y207 HydrophobicContact CB-CE2 4.28Å; C195-Y207 HydrophobicContact CB-CG 4.33Å; C205-Y207 PolarHBondContact O-N 3.12Å; C205-Y207 VanDerWaalsContact O-N 3.11Å; C205-Y207 PolarHBondContact SG-N 3.17Å; C205-Y207 VanDerWaalsContact SG-N 3.39Å; Y207-E209 VanDerWaalsContact C-N 3.28Å; Y207-E209 PolarHBondContact O-N 3.02Å; Y207-L210 HydrophobicContact CD1-CD1 4.41Å; Y207-L210 PolarHBondContact O-N 3.14Å; Y207-L210 VanDerWaalsContact O-N 3.14Å; Y207-Y211 WeakPolarHBondContact O-CD2 3.38Å; Y207-Y211 PolarHBondContact O-N 3.26Å |
| 208 | K | 74.7 | Confident | 65.2 | Low | 86 Ų | 86 | 127.8 Ų | 127.8 | 37% | 0.374 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -55.1 | -43.8 | -175.6 | -176 | -177.5 | 172.5 | -160.1 | 0 | 111.9 | Y194 C205 Y211 E212 | Y194-K208 HydrophobicContact CE1-CG 4.45Å; Y194-K208 HydrophobicContact CE2-CG 4.27Å; C205-K208 HydrophobicContact CB-CB 4.24Å; C205-K208 VanDerWaalsContact O-CB 3.31Å; C205-K208 WeakPolarHBondContact O-CB 3.49Å; C205-K208 PolarHBondContact O-N 3.38Å; C205-K208 VanDerWaalsContact O-N 3.08Å; K208-Y211 PolarHBondContact O-N 3.34Å; K208-E212 WeakPolarHBondContact CE-OE1 3.04Å; K208-E212 PolarHBondContact O-N 3.11Å |
| 209 | E | 68.4 | Low | 63.3 | Low | 170 Ų | 170 | 127.5 Ų | 127.5 | 79% | 0.794 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.7 | -27.1 | -179.6 | -62.5 | -166.7 | 168.1 | 0 | 0 | 113.6 | Y207 Y211 | Y207-E209 VanDerWaalsContact C-N 3.28Å; Y207-E209 PolarHBondContact O-N 3.02Å; E209-Y211 VanDerWaalsContact C-N 3.33Å; E209-Y211 PolarHBondContact O-N 3.49Å |
| 210 | L | 66.1 | Low | 61.5 | Low | 124 Ų | 124 | 124.8 Ų | 124.8 | 65% | 0.649 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.3 | -23.2 | 177.7 | -84.7 | 104.4 | 0 | 0 | 0 | 113.6 | Y207 | Y207-L210 HydrophobicContact CD1-CD1 4.41Å; Y207-L210 PolarHBondContact O-N 3.14Å; Y207-L210 VanDerWaalsContact O-N 3.14Å |
| 211 | Y | 63.7 | Low | 59.4 | Low | 145 Ų | 145 | 130.2 Ų | 130.2 | 57% | 0.569 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -103.3 | -3.4 | 180 | -71.7 | -77.6 | 0 | 0 | 0 | 112.8 | Y207 K208 E209 I213 | Y207-Y211 WeakPolarHBondContact O-CD2 3.38Å; Y207-Y211 PolarHBondContact O-N 3.26Å; K208-Y211 PolarHBondContact O-N 3.34Å; E209-Y211 VanDerWaalsContact C-N 3.33Å; E209-Y211 PolarHBondContact O-N 3.49Å; Y211-I213 VanDerWaalsContact C-N 3.25Å; Y211-I213 PolarHBondContact O-N 3.39Å; Y211-I213 VanDerWaalsContact O-N 3.17Å |
| 212 | E | 57.7 | Low | 57.3 | Low | 105 Ų | 105 | 125.9 Ų | 125.9 | 49% | 0.491 | 68% | 0.676 | S | S | . | * | trans | -83.6 | 66.8 | 166.8 | -80.1 | 176.3 | 176.8 | 0 | 0 | 109.9 | K208 E214 | K208-E212 WeakPolarHBondContact CE-OE1 3.04Å; K208-E212 PolarHBondContact O-N 3.11Å; E212-E214 PolarHBondContact O-N 3.08Å | ||
| 213 | I | 54.6 | Low | 55.1 | Low | 146 Ų | 146 | 126.6 Ų | 126.6 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | trans | -86.1 | 98.3 | 169.3 | -59.9 | 174.8 | 0 | 0 | 0 | 108.5 | Y211 | Y211-I213 VanDerWaalsContact C-N 3.25Å; Y211-I213 PolarHBondContact O-N 3.39Å; Y211-I213 VanDerWaalsContact O-N 3.17Å | ||
| 214 | E | 39.7 | Very low | 53 | Low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 70% | 0.7 | S | S | * | * | trans | 19 | 104.2 | 151.6 | -60.8 | -179.8 | 163.8 | 0 | 0 | 118.1 | E212 | E212-E214 PolarHBondContact O-N 3.08Š| ||
| 215 | K | 44.2 | Very low | 51 | Low | 203 Ų | 203 | 130 Ų | 130 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 131.3 | 150.6 | -82.2 | -176.2 | 175.4 | 180 | 0 | 108.6 | ||
| 216 | P | 39 | Very low | 48.8 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 148.3 | -175.1 | 29.5 | -34.9 | 0 | 0 | 0 | 113 | ||
| 217 | N | 31.5 | Very low | 46.4 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 130 | 178.9 | -84.6 | -38.3 | 0 | 0 | 0 | 115.8 | ||
| 218 | E | 39.9 | Very low | 44.3 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -130.5 | 135.4 | 143.5 | -79.4 | -175.6 | 150.1 | 0 | 0 | 108.8 | ||||
| 219 | A | 40 | Very low | 42.3 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -81.1 | 171.6 | -153.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 220 | P | 39.5 | Very low | 40.5 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -91.2 | 156.4 | -154.4 | 36.9 | -33.8 | 0 | 0 | 0 | 113.3 | ||||
| 221 | T | 37.1 | Very low | 39.1 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | -137.2 | 115.5 | 158.1 | -47 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 222 | A | 33.4 | Very low | 37.7 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -75.9 | 156.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 223 | G | 33.9 | Very low | 36.8 | Very low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | trans | 118.8 | 97.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 224 | T | 33.9 | Very low | 36 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 87% | 0.871 | 82% | 0.821 | S | S | * | * | 126.6 | 124.8 | 117.1 | -41 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 225 | Q | 34.9 | Very low | 36.3 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -67 | 149 | 177.2 | -57.2 | 159.6 | 19.1 | 0 | 0 | 110.8 | ||||
| 226 | A | 34.2 | Very low | 35.9 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | trans | -174.2 | 147.9 | 130.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 227 | A | 30 | Very low | 36.3 | Very low | 80 Ų | 80 | 129 Ų | 129 | 66% | 0.661 | 82% | 0.824 | S | S | * | * | trans | -67.4 | 161.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 228 | D | 33.4 | Very low | 37.5 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | 38.9 | 110.1 | 140 | -52.5 | -24.3 | 0 | 0 | 0 | 118.5 | ||||
| 229 | T | 34 | Very low | 39 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | -171.6 | 125.7 | 117 | 3.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 230 | D | 30.7 | Very low | 40.1 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 17.6 | 142.3 | 140.5 | -158.7 | 35.5 | 0 | 0 | 0 | 123.3 | ||||
| 231 | S | 35 | Very low | 40.8 | Very low | 102 Ų | 102 | 121 Ų | 121 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 74.8 | 115.8 | 150.7 | -75.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 232 | G | 35.5 | Very low | 42.1 | Very low | 81 Ų | 81 | 118.4 Ų | 118.4 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | trans | 179 | 94.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 233 | I | 37.7 | Very low | 43.1 | Very low | 181 Ų | 181 | 120.7 Ų | 120.7 | 93% | 0.928 | 75% | 0.748 | S | S | * | * | trans | -77 | 143.4 | -172.1 | -71.8 | 150.8 | 0 | 0 | 0 | 114 | ||||
| 234 | G | 39.4 | Very low | 44.3 | Very low | 68 Ų | 68 | 122.3 Ų | 122.3 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | 125.5 | 124.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 235 | K | 45.1 | Very low | 45.8 | Very low | 213 Ų | 213 | 123.6 Ų | 123.6 | 93% | 0.926 | 73% | 0.73 | S | S | * | * | cis | -134.9 | 141.9 | 14.5 | -73.1 | 170.1 | 174.7 | 174 | 0 | 109.5 | ||||
| 236 | T | 36.2 | Very low | 46.9 | Very low | 141 Ų | 141 | 118.1 Ų | 118.1 | 87% | 0.865 | 72% | 0.724 | S | S | * | * | trans | -79.1 | 137.8 | -167.5 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 237 | G | 46.7 | Very low | 47.5 | Very low | 80 Ų | 80 | 117.5 Ų | 117.5 | 83% | 0.825 | 71% | 0.705 | S | S | * | * | 115.4 | 2.3 | 125.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 238 | V | 57.4 | Low | 47.9 | Very low | 133 Ų | 133 | 116.4 Ų | 116.4 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | trans | -99.4 | 113.1 | 179 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | V240 | V238-V240 PolarHBondContact O-N 3.26Š| ||
| 239 | Y | 70.5 | Confident | 48.8 | Very low | 167 Ų | 167 | 115 Ų | 115 | 66% | 0.655 | 71% | 0.71 | S | S | * | * | trans | -59.7 | 117.3 | 169.9 | 172.8 | -98.3 | 0 | 0 | 0 | 110.2 | P241 P242 | Y239-P241 HydrophobicContact CD1-CB 4.45Å; Y239-P241 HydrophobicContact CE1-CB 3.84Å; Y239-P241 WeakPolarHBondContact O-CD 3.36Å; Y239-P242 WeakPolarHBondContact OH-CD 3.25Å | ||
| 240 | V | 63.2 | Low | 49.2 | Very low | 65 Ų | 65 | 111.1 Ų | 111.1 | 39% | 0.394 | 70% | 0.7 | S | S | . | * | trans | -90.5 | 111.8 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | V238 L244 R245 | V238-V240 PolarHBondContact O-N 3.26Å; V240-L244 HydrophobicContact CG1-CB 3.66Å; V240-R245 HydrophobicContact CG1-CG 4.33Å; V240-R245 PolarHBondContact O-NE 2.8Å; V240-R245 PolarHBondContact O-NH2 3.36Å | ||
| 241 | P | 54.4 | Low | 50 | Low | 48 Ų | 48 | 105.5 Ų | 105.5 | 31% | 0.312 | 68% | 0.675 | S | S | . | * | trans | -62.7 | 150.9 | -177.6 | 26.2 | -34.3 | 0 | 0 | 0 | 110.8 | Y239 I243 L244 R245 | Y239-P241 HydrophobicContact CD1-CB 4.45Å; Y239-P241 HydrophobicContact CE1-CB 3.84Å; Y239-P241 WeakPolarHBondContact O-CD 3.36Å; P241-I243 PolarHBondContact O-N 3.38Å; P241-L244 HydrophobicContact CG-CB 4.35Å; P241-L244 HydrophobicContact CG-CD1 3.75Å; P241-L244 HydrophobicContact CG-CG 4.45Å; P241-L244 PolarHBondContact O-N 3.45Å; P241-R245 PolarHBondContact O-N 2.79Å | ||
| 242 | P | 63.7 | Low | 50.7 | Low | 92 Ų | 92 | 109.3 Ų | 109.3 | 60% | 0.597 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -27.4 | -174.8 | -28.6 | 34.6 | 0 | 0 | 0 | 114.8 | Y239 L244 R245 | Y239-P242 WeakPolarHBondContact OH-CD 3.25Å; P242-L244 VanDerWaalsContact C-N 3.25Å; P242-L244 PolarHBondContact O-N 3.26Å; P242-R245 PolarHBondContact O-N 2.86Å |
| 243 | I | 55.4 | Low | 51.4 | Low | 148 Ų | 148 | 109.3 Ų | 109.3 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -24.5 | 177.1 | -68.8 | 167.5 | 0 | 0 | 0 | 112.5 | P241 | P241-I243 PolarHBondContact O-N 3.38Š|
| 244 | L | 59.8 | Low | 52.1 | Low | 99 Ų | 99 | 105.4 Ų | 105.4 | 52% | 0.518 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.8 | -9.4 | -178.1 | -82.3 | 160 | 0 | 0 | 0 | 113.1 | V240 P241 P242 G246 | V240-L244 HydrophobicContact CG1-CB 3.66Å; P241-L244 HydrophobicContact CG-CB 4.35Å; P241-L244 HydrophobicContact CG-CD1 3.75Å; P241-L244 HydrophobicContact CG-CG 4.45Å; P241-L244 PolarHBondContact O-N 3.45Å; P242-L244 VanDerWaalsContact C-N 3.25Å; P242-L244 PolarHBondContact O-N 3.26Å; L244-G246 PolarHBondContact O-N 3.43Å |
| 245 | R | 64.9 | Low | 52.6 | Low | 168 Ų | 168 | 107.1 Ų | 107.1 | 63% | 0.634 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 83.5 | 177.3 | -114.1 | -178.5 | -79.5 | -156.4 | -3.5 | 109.8 | V240 P241 P242 | V240-R245 HydrophobicContact CG1-CG 4.33Å; V240-R245 PolarHBondContact O-NE 2.8Å; V240-R245 PolarHBondContact O-NH2 3.36Å; P241-R245 PolarHBondContact O-N 2.79Å; P242-R245 PolarHBondContact O-N 2.86Å |
| 246 | G | 56.9 | Low | 52.9 | Low | 72 Ų | 72 | 100 Ų | 100 | 74% | 0.742 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.6 | -6.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | L244 G248 | L244-G246 PolarHBondContact O-N 3.43Å; G246-G248 VanDerWaalsContact C-N 3.33Å; G246-G248 PolarHBondContact O-N 2.89Å |
| 247 | L | 46.8 | Very low | 53.9 | Low | 92 Ų | 92 | 96.5 Ų | 96.5 | 48% | 0.482 | 59% | 0.594 | S | S | . | * | trans | -79.5 | 87.2 | 169.4 | -92.9 | 68 | 0 | 0 | 0 | 108.8 | ||||
| 248 | G | 39.9 | Very low | 54.2 | Low | 56 Ų | 56 | 96.9 Ų | 96.9 | 58% | 0.577 | 58% | 0.576 | S | S | * | * | trans | -53.1 | 165.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G246 G250 G251 | G246-G248 VanDerWaalsContact C-N 3.33Å; G246-G248 PolarHBondContact O-N 2.89Å; G248-G250 PolarHBondContact O-N 3.04Å; G248-G251 PolarHBondContact O-N 3.46Å | ||
| 249 | A | 51.3 | Low | 54.1 | Low | 120 Ų | 120 | 96 Ų | 96 | 99% | 0.992 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 11.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 250 | G | 43 | Very low | 53.3 | Low | 66 Ų | 66 | 95.4 Ų | 95.4 | 68% | 0.68 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 6.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G248 K252 | G248-G250 PolarHBondContact O-N 3.04Å; G250-K252 PolarHBondContact O-N 3.35Å |
| 251 | G | 46.8 | Very low | 53.1 | Low | 23 Ų | 23 | 96.7 Ų | 96.7 | 24% | 0.237 | 56% | 0.558 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -67.2 | 0.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | G248 S253 | G248-G251 PolarHBondContact O-N 3.46Å; G251-S253 VanDerWaalsContact C-N 3.26Å; G251-S253 PolarHBondContact O-N 3.46Å |
| 252 | K | 49.2 | Very low | 53.8 | Low | 183 Ų | 183 | 99.5 Ų | 99.5 | 80% | 0.796 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.5 | -24.2 | -179.7 | -64.8 | -177 | 178.9 | 179.9 | 0 | 113.2 | G250 D256 | G250-K252 PolarHBondContact O-N 3.35Å; K252-D256 WeakPolarHBondContact O-CB 3.34Å; K252-D256 PolarHBondContact O-N 2.95Å |
| 253 | S | 50.8 | Low | 54.4 | Low | 81 Ų | 81 | 101 Ų | 101 | 57% | 0.566 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.5 | -35 | -176.7 | -179 | 0 | 0 | 0 | 0 | 113.9 | G251 D256 T257 | G251-S253 VanDerWaalsContact C-N 3.26Å; G251-S253 PolarHBondContact O-N 3.46Å; S253-D256 PolarHBondContact O-N 3.11Å; S253-T257 PolarHBondContact O-N 3.38Å; S253-T257 PolarHBondContact O-OG1 2.9Å |
| 254 | V | 52.2 | Low | 56 | Low | 98 Ų | 98 | 95.3 Ų | 95.3 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.8 | -32 | -179.7 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 255 | L | 50.9 | Low | 57.6 | Low | 105 Ų | 105 | 91.5 Ų | 91.5 | 55% | 0.55 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.1 | -40.6 | 173 | -168.8 | 65.4 | 0 | 0 | 0 | 111.3 | T257 L258 Q259 | L255-T257 VanDerWaalsContact C-N 3.28Å; L255-T257 PolarHBondContact O-N 3.43Å; L255-L258 PolarHBondContact O-N 3.46Å; L255-L258 VanDerWaalsContact O-N 3.1Å; L255-Q259 PolarHBondContact O-N 3.42Å |
| 256 | D | 51.6 | Low | 59 | Low | 63 Ų | 63 | 83.5 Ų | 83.5 | 34% | 0.337 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 175.1 | -165.9 | 57.8 | 0 | 0 | 0 | 111.8 | K252 S253 L258 Q259 R260 | K252-D256 WeakPolarHBondContact O-CB 3.34Å; K252-D256 PolarHBondContact O-N 2.95Å; S253-D256 PolarHBondContact O-N 3.11Å; D256-L258 PolarHBondContact O-N 2.77Å; D256-Q259 PolarHBondContact O-N 2.7Å; D256-R260 WeakPolarHBondContact O-CG 3.37Å; D256-R260 PolarHBondContact O-N 3.28Å; D256-R260 IonicContact OD2-CZ 3.11Å; D256-R260 IonicContact OD2-NE 3.84Å; D256-R260 PolarHBondContact OD2-NE 3.17Å; D256-R260 IonicContact OD2-NH2 3.21Å; D256-R260 PolarHBondContact OD2-NH2 3.45Å; D256-R260 VanDerWaalsContact OD2-NH2 3.13Å |
| 257 | T | 55.5 | Low | 60.8 | Low | 67 Ų | 67 | 84 Ų | 84 | 41% | 0.411 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.2 | -20.3 | 177.7 | -48.8 | 0 | 0 | 0 | 0 | 113 | S253 L255 R261 | S253-T257 PolarHBondContact O-N 3.38Å; S253-T257 PolarHBondContact O-OG1 2.9Å; L255-T257 VanDerWaalsContact C-N 3.28Å; L255-T257 PolarHBondContact O-N 3.43Å; T257-R261 WeakPolarHBondContact O-CG 3.39Å; T257-R261 PolarHBondContact O-NE 3.49Å |
| 258 | L | 54.3 | Low | 63.1 | Low | 88 Ų | 88 | 79.6 Ų | 79.6 | 46% | 0.461 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -87.4 | -38.8 | 172.5 | -70.4 | 171 | 0 | 0 | 0 | 111.1 | L255 D256 R261 | L255-L258 PolarHBondContact O-N 3.46Å; L255-L258 VanDerWaalsContact O-N 3.1Å; D256-L258 PolarHBondContact O-N 2.77Å; L258-R261 WeakPolarHBondContact O-CB 3.45Å; L258-R261 PolarHBondContact O-N 3.45Å |
| 259 | Q | 54 | Low | 65.7 | Low | 114 Ų | 114 | 78 Ų | 78 | 53% | 0.533 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 178.3 | -71.7 | 178.2 | -47.7 | 0 | 0 | 112.8 | L255 D256 R261 D262 | L255-Q259 PolarHBondContact O-N 3.42Å; D256-Q259 PolarHBondContact O-N 2.7Å; Q259-R261 PolarHBondContact O-N 3.29Å; Q259-R261 VanDerWaalsContact O-N 3.16Å; Q259-D262 PolarHBondContact O-N 3.45Å |
| 260 | R | 53.9 | Low | 67.7 | Low | 156 Ų | 156 | 76 Ų | 76 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.9 | -18.1 | 174 | -72.1 | -173.1 | -168.6 | -138.5 | 0.6 | 114.2 | D256 | D256-R260 WeakPolarHBondContact O-CG 3.37Å; D256-R260 PolarHBondContact O-N 3.28Å; D256-R260 IonicContact OD2-CZ 3.11Å; D256-R260 IonicContact OD2-NE 3.84Å; D256-R260 PolarHBondContact OD2-NE 3.17Å; D256-R260 IonicContact OD2-NH2 3.21Å; D256-R260 PolarHBondContact OD2-NH2 3.45Å; D256-R260 VanDerWaalsContact OD2-NH2 3.13Å |
| 261 | R | 59.6 | Low | 70 | Confident | 91 Ų | 91 | 73.3 Ų | 73.3 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.2 | -31.7 | -179.3 | -70.2 | 175.4 | -165.7 | -161 | -1.5 | 111.6 | T257 L258 Q259 E263 N264 T265 R292 | T257-R261 WeakPolarHBondContact O-CG 3.39Å; T257-R261 PolarHBondContact O-NE 3.49Å; L258-R261 WeakPolarHBondContact O-CB 3.45Å; L258-R261 PolarHBondContact O-N 3.45Å; Q259-R261 PolarHBondContact O-N 3.29Å; Q259-R261 VanDerWaalsContact O-N 3.16Å; R261-E263 VanDerWaalsContact C-N 3.33Å; R261-N264 PolarHBondContact O-N 2.84Å; R261-T265 WeakPolarHBondContact O-CG2 3Å; R261-R292 VanDerWaalsContact NH1-NH1 3.16Å; R261-R292 VanDerWaalsContact NH1-NH2 3.14Å |
| 262 | D | 69.1 | Low | 72.1 | Confident | 108 Ų | 108 | 72.4 Ų | 72.4 | 58% | 0.578 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69.9 | -32.6 | -178.3 | -65.2 | -24.2 | 0 | 0 | 0 | 111.2 | Q259 N264 T265 | Q259-D262 PolarHBondContact O-N 3.45Å; D262-N264 PolarHBondContact O-N 3.41Å; D262-N264 VanDerWaalsContact O-N 3.11Å; D262-T265 PolarHBondContact O-N 3.14Å; D262-T265 PolarHBondContact O-OG1 3.29Å |
| 263 | E | 77.5 | Confident | 74 | Confident | 123 Ų | 123 | 68.7 Ų | 68.7 | 58% | 0.575 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.8 | 175.6 | -61.8 | -178.4 | 170.6 | 0 | 0 | 114.1 | R261 R315 W339 | R261-E263 VanDerWaalsContact C-N 3.33Å; E263-R315 PolarHBondContact O-NH1 3.31Å; E263-W339 VanDerWaalsContact O-CZ3 3.27Å; E263-W339 WeakPolarHBondContact O-CZ3 3.35Å |
| 264 | N | 89 | Confident | 75.7 | Confident | 28 Ų | 28 | 71.7 Ų | 71.7 | 15% | 0.15 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 16.9 | 179.5 | -60.8 | -12.3 | 0 | 0 | 0 | 112.1 | R261 D262 Y312 R315 | R261-N264 PolarHBondContact O-N 2.84Å; D262-N264 PolarHBondContact O-N 3.41Å; D262-N264 VanDerWaalsContact O-N 3.11Å; N264-Y312 WeakPolarHBondContact CB-O 3.45Å; N264-Y312 PolarHBondContact O-N 3.21Å; N264-R315 WeakPolarHBondContact OD1-CB 3.4Å |
| 265 | T | 92.3 | Very high | 77.6 | Confident | 19 Ų | 19 | 67.5 Ų | 67.5 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 136.3 | 179 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | R261 D262 I310 A340 | R261-T265 WeakPolarHBondContact O-CG2 3Å; D262-T265 PolarHBondContact O-N 3.14Å; D262-T265 PolarHBondContact O-OG1 3.29Å; T265-I310 WeakPolarHBondContact CA-O 3.23Å; T265-A340 PolarHBondContact O-N 2.76Å; T265-A340 VanDerWaalsContact O-N 3.1Å; T265-A340 WeakPolarHBondContact OG1-CB 3.26Å |
| 266 | V | 94.2 | Very high | 79.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132.2 | 178.4 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | F309 I310 Y312 A318 I322 V337 E338 | V266-F309 WeakPolarHBondContact O-CA 3.3Å; V266-I310 PolarHBondContact N-O 2.66Å; V266-I310 PolarHBondContact O-N 3.33Å; V266-Y312 HydrophobicContact CG2-CD2 4.09Å; V266-Y312 HydrophobicContact CG2-CE2 4.14Å; V266-A318 HydrophobicContact CG2-CB 3.59Å; V266-I322 HydrophobicContact CG1-CG1 4.13Å; V266-I322 HydrophobicContact CG2-CD1 4.43Å; V266-I322 HydrophobicContact CG2-CG1 4.42Å; V266-V337 HydrophobicContact CG1-CG1 3.15Å; V266-E338 CarbonylContact C-O 3.55Å; V266-E338 WeakPolarHBondContact CA-O 3.32Å; V266-E338 WeakPolarHBondContact CG1-O 3.48Å |
| 267 | R | 94.8 | Very high | 81.4 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.5 | 173.4 | -171.9 | -177.5 | 77.5 | 114.7 | 0.7 | 109.4 | T269 F309 E338 A340 | R267-T269 HydrophobicContact CG-CG2 4.34Å; R267-T269 VanDerWaalsContact CZ-CG2 3.46Å; R267-T269 VanDerWaalsContact NH1-CG2 3.3Å; R267-F309 HydrophobicContact CB-CD1 4.12Å; R267-F309 HydrophobicContact CB-CE1 3.93Å; R267-F309 HydrophobicContact CG-CD1 4.19Å; R267-F309 HydrophobicContact CG-CE1 3.72Å; R267-F309 HydrophobicContact CG-CZ 4.18Å; R267-E338 IonicContact CZ-OE2 2.64Å; R267-E338 PolarHBondContact N-O 2.97Å; R267-E338 IonicContact NE-OE2 2.77Å; R267-E338 IonicContact NH2-OE2 3.78Å; R267-E338 PolarHBondContact NH2-OE2 2.83Å; R267-E338 PolarHBondContact O-N 2.76Å; R267-A340 HydrophobicContact CB-CB 4.41Å |
| 268 | V | 94.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.6 | 176.6 | -169.3 | 0 | 0 | 0 | 0 | 108.3 | L271 F284 Y307 A308 I310 V337 | V268-L271 HydrophobicContact CB-CD1 4.3Å; V268-L271 HydrophobicContact CG1-CD1 4.15Å; V268-L271 HydrophobicContact CG1-CD2 3.8Å; V268-L271 HydrophobicContact CG1-CG 4.02Å; V268-F284 HydrophobicContact CB-CZ 4.23Å; V268-F284 HydrophobicContact CG1-CE2 4.3Å; V268-F284 HydrophobicContact CG1-CZ 3.91Å; V268-F284 HydrophobicContact CG2-CE1 3.76Å; V268-F284 HydrophobicContact CG2-CE2 3.91Å; V268-F284 HydrophobicContact CG2-CZ 3.24Å; V268-Y307 CarbonylContact O-C 3.53Å; V268-Y307 WeakPolarHBondContact O-CA 3.39Å; V268-Y307 WeakPolarHBondContact O-CB 3.31Å; V268-A308 PolarHBondContact N-O 2.93Å; V268-A308 PolarHBondContact O-N 3.2Å; V268-I310 HydrophobicContact CG2-CD1 3.81Å; V268-I310 HydrophobicContact CG2-CG1 4.3Å; V268-V337 HydrophobicContact CG1-CG2 4.39Å |
| 269 | T | 94.3 | Very high | 85 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 14% | 0.135 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 162.7 | -179.6 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | R267 K336 | R267-T269 HydrophobicContact CG-CG2 4.34Å; R267-T269 VanDerWaalsContact CZ-CG2 3.46Å; R267-T269 VanDerWaalsContact NH1-CG2 3.3Å; T269-K336 PolarHBondContact N-O 2.82Å; T269-K336 PolarHBondContact O-N 2.82Å; T269-K336 VanDerWaalsContact O-N 3.09Å; T269-K336 WeakPolarHBondContact OG1-CB 3.19Å; T269-K336 PolarHBondContact OG1-O 3.01Å; T269-K336 VanDerWaalsContact OG1-O 3.06Å |
| 270 | N | 93.3 | Very high | 86.9 | Confident | 79 Ų | 79 | 59.9 Ų | 59.9 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 66.3 | 42 | -177.5 | -157.3 | 39.2 | 0 | 0 | 0 | 113 | G306 I334 L335 | N270-G306 PolarHBondContact N-O 3.05Å; N270-G306 VanDerWaalsContact N-O 3.08Å; N270-I334 PolarHBondContact ND2-O 3.29Å; N270-L335 WeakPolarHBondContact O-CD2 3.3Å |
| 271 | L | 92.9 | Very high | 88.8 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | trans | -84.8 | 144.7 | 176.1 | -67.4 | 167.2 | 0 | 0 | 0 | 111.2 | V268 I275 L280 L295 G306 A308 L335 | V268-L271 HydrophobicContact CB-CD1 4.3Å; V268-L271 HydrophobicContact CG1-CD1 4.15Å; V268-L271 HydrophobicContact CG1-CD2 3.8Å; V268-L271 HydrophobicContact CG1-CG 4.02Å; L271-I275 HydrophobicContact CB-CG2 4.14Å; L271-I275 HydrophobicContact CD2-CD1 3.64Å; L271-L280 HydrophobicContact CD1-CD1 4.48Å; L271-L280 HydrophobicContact CD1-CD2 4.43Å; L271-L280 HydrophobicContact CD2-CD2 3.84Å; L271-L295 HydrophobicContact CD1-CD1 4.37Å; L271-G306 PolarHBondContact N-O 2.84Å; L271-A308 HydrophobicContact CD1-CB 3.58Å; L271-L335 HydrophobicContact CD2-CD2 3.63Å; L271-L335 HydrophobicContact CG-CD2 4.45Å | ||
| 272 | P | 90.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.032 | 31% | 0.307 | C | S | . | . | trans | -64.4 | 152.7 | 173.9 | 19.7 | -22.5 | 0 | 0 | 0 | 111.6 | D274 I275 E331 L333 | P272-D274 PolarHBondContact O-N 2.98Å; P272-I275 HydrophobicContact CG-CB 4.06Å; P272-I275 WeakPolarHBondContact O-CG2 3.17Å; P272-I275 PolarHBondContact O-N 3.22Å; P272-E331 WeakPolarHBondContact CB-OE2 3.43Å; P272-L333 HydrophobicContact CB-CD1 3.92Å; P272-L333 HydrophobicContact CG-CD1 4.5Å | ||
| 273 | E | 88.1 | Confident | 91.5 | Very high | 105 Ų | 105 | 57.5 Ų | 57.5 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -32.4 | -179.9 | -66 | -172.7 | -170.3 | 0 | 0 | 112.3 | I275 R303 C304 | E273-I275 VanDerWaalsContact C-N 3.35Å; E273-R303 WeakPolarHBondContact OE2-CD 3.46Å; E273-R303 IonicContact OE2-CZ 2.8Å; E273-R303 IonicContact OE2-NH1 3.97Å; E273-R303 PolarHBondContact OE2-NH1 3.48Å; E273-C304 WeakPolarHBondContact O-CB 3.31Å; E273-C304 PolarHBondContact O-N 3.08Å; E273-C304 PolarHBondContact O-SG 2.82Å; E273-C304 VanDerWaalsContact O-SG 3.38Å |
| 274 | D | 87.5 | Confident | 92.2 | Very high | 143 Ų | 143 | 51.7 Ų | 51.7 | 77% | 0.765 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 4.6 | -175.5 | -63.7 | -35.4 | 0 | 0 | 0 | 113.8 | P272 S276 | P272-D274 PolarHBondContact O-N 2.98Å; D274-S276 PolarHBondContact O-N 2.85Å |
| 275 | I | 90.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | trans | -67.6 | 136.6 | -176.5 | -154.5 | 172.7 | 0 | 0 | 0 | 112.3 | L271 P272 E273 T279 L280 L295 C304 | L271-I275 HydrophobicContact CB-CG2 4.14Å; L271-I275 HydrophobicContact CD2-CD1 3.64Å; P272-I275 HydrophobicContact CG-CB 4.06Å; P272-I275 WeakPolarHBondContact O-CG2 3.17Å; P272-I275 PolarHBondContact O-N 3.22Å; E273-I275 VanDerWaalsContact C-N 3.35Å; I275-T279 HydrophobicContact CG1-CG2 4.35Å; I275-L280 HydrophobicContact CD1-CD2 3.63Å; I275-L280 HydrophobicContact CD1-CG 3.77Å; I275-L280 HydrophobicContact CG1-CG 4.32Å; I275-L295 HydrophobicContact CG2-CD1 4.08Å; I275-L295 HydrophobicContact CG2-CD2 4.21Å; I275-L295 WeakPolarHBondContact O-CD2 3.5Å; I275-C304 HydrophobicContact CG2-CB 4.4Å; I275-C304 PolarHBondContact O-SG 2.79Å | ||
| 276 | S | 90.5 | Very high | 92.4 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 31% | 0.308 | 30% | 0.299 | S | S | . | . | trans | -97.5 | 158.9 | 174.7 | 81.1 | 0 | 0 | 0 | 0 | 112.4 | D274 D278 T279 L280 | D274-S276 PolarHBondContact O-N 2.85Å; S276-D278 PolarHBondContact O-N 2.84Å; S276-D278 PolarHBondContact OG-N 3.01Å; S276-T279 PolarHBondContact O-N 3.21Å; S276-T279 PolarHBondContact OG-N 3.39Å; S276-T279 VanDerWaalsContact OG-N 3.11Å; S276-T279 PolarHBondContact OG-OG1 2.88Å; S276-L280 PolarHBondContact O-N 2.84Å | ||
| 277 | E | 92 | Very high | 92.2 | Very high | 82 Ų | 82 | 57 Ų | 57 | 38% | 0.383 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -31.9 | 174.3 | -71.1 | 169.3 | -142.5 | 0 | 0 | 111.7 | L280 K281 L295 K297 | E277-L280 PolarHBondContact O-N 2.83Å; E277-K281 WeakPolarHBondContact O-CB 3.29Å; E277-K281 PolarHBondContact O-N 3.2Å; E277-L295 HydrophobicContact CG-CB 3.77Å; E277-L295 HydrophobicContact CG-CD2 3.81Å; E277-L295 HydrophobicContact CG-CG 4.47Å; E277-K297 IonicContact OE1-NZ 2.83Å; E277-K297 PolarHBondContact OE1-NZ 2.97Å |
| 278 | D | 93 | Very high | 92 | Very high | 110 Ų | 110 | 54 Ų | 54 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.8 | -42.7 | 177.5 | -63.5 | -52.7 | 0 | 0 | 0 | 111.4 | S276 L280 K281 E282 | S276-D278 PolarHBondContact O-N 2.84Å; S276-D278 PolarHBondContact OG-N 3.01Å; D278-L280 VanDerWaalsContact C-N 3.34Å; D278-L280 PolarHBondContact O-N 3.38Å; D278-K281 WeakPolarHBondContact O-CB 3.35Å; D278-K281 PolarHBondContact O-N 3.34Å; D278-K281 VanDerWaalsContact O-N 3.11Å; D278-E282 WeakPolarHBondContact O-CG 3.45Å; D278-E282 PolarHBondContact O-N 3.45Å |
| 279 | T | 92.5 | Very high | 91.9 | Very high | 41 Ų | 41 | 63.2 Ų | 63.2 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 175 | -48.3 | 0 | 0 | 0 | 0 | 111.4 | I275 S276 K281 E282 L283 | I275-T279 HydrophobicContact CG1-CG2 4.35Å; S276-T279 PolarHBondContact O-N 3.21Å; S276-T279 PolarHBondContact OG-N 3.39Å; S276-T279 VanDerWaalsContact OG-N 3.11Å; S276-T279 PolarHBondContact OG-OG1 2.88Å; T279-K281 VanDerWaalsContact C-N 3.31Å; T279-K281 PolarHBondContact O-N 3.42Å; T279-E282 PolarHBondContact O-N 3.01Å; T279-L283 HydrophobicContact CG2-CD1 4.22Å; T279-L283 WeakPolarHBondContact O-CG 3.21Å; T279-L283 PolarHBondContact O-N 2.74Å |
| 280 | L | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 174 | -76.5 | 174.3 | 0 | 0 | 0 | 111.6 | L271 I275 S276 E277 D278 E282 L283 F284 I293 L295 A308 | L271-L280 HydrophobicContact CD1-CD1 4.48Å; L271-L280 HydrophobicContact CD1-CD2 4.43Å; L271-L280 HydrophobicContact CD2-CD2 3.84Å; I275-L280 HydrophobicContact CD1-CD2 3.63Å; I275-L280 HydrophobicContact CD1-CG 3.77Å; I275-L280 HydrophobicContact CG1-CG 4.32Å; S276-L280 PolarHBondContact O-N 2.84Å; E277-L280 PolarHBondContact O-N 2.83Å; D278-L280 VanDerWaalsContact C-N 3.34Å; D278-L280 PolarHBondContact O-N 3.38Å; L280-E282 VanDerWaalsContact C-N 3.35Å; L280-E282 PolarHBondContact O-N 3.14Å; L280-L283 PolarHBondContact O-N 2.97Å; L280-F284 HydrophobicContact CD2-CD2 4.15Å; L280-F284 HydrophobicContact CD2-CE2 3.85Å; L280-F284 WeakPolarHBondContact O-CB 3.28Å; L280-F284 VanDerWaalsContact O-CD2 3.31Å; L280-F284 WeakPolarHBondContact O-CD2 3.36Å; L280-F284 PolarHBondContact O-N 2.86Å; L280-I293 HydrophobicContact CB-CG2 4.48Å; L280-I293 HydrophobicContact CD1-CG2 4.33Å; L280-L295 HydrophobicContact CD1-CD1 3.97Å; L280-L295 HydrophobicContact CD1-CD2 4.35Å; L280-A308 HydrophobicContact CD1-CB 3.81Å |
| 281 | K | 93.7 | Very high | 91.7 | Very high | 123 Ų | 123 | 65 Ų | 65 | 54% | 0.535 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 177.8 | -170.3 | -179.8 | 175.9 | -172.4 | 0 | 111.4 | E277 D278 T279 S285 I293 | E277-K281 WeakPolarHBondContact O-CB 3.29Å; E277-K281 PolarHBondContact O-N 3.2Å; D278-K281 WeakPolarHBondContact O-CB 3.35Å; D278-K281 PolarHBondContact O-N 3.34Å; D278-K281 VanDerWaalsContact O-N 3.11Å; T279-K281 VanDerWaalsContact C-N 3.31Å; T279-K281 PolarHBondContact O-N 3.42Å; K281-S285 WeakPolarHBondContact O-CB 3.31Å; K281-S285 PolarHBondContact O-N 3.36Å; K281-I293 HydrophobicContact CB-CD1 3.59Å; K281-I293 HydrophobicContact CG-CD1 4.03Å |
| 282 | E | 93 | Very high | 91.6 | Very high | 151 Ų | 151 | 71.6 Ų | 71.6 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.1 | -48.9 | 177.7 | -71.5 | 177.9 | -178.6 | 0 | 0 | 112.1 | D278 T279 L280 S285 | D278-E282 WeakPolarHBondContact O-CG 3.45Å; D278-E282 PolarHBondContact O-N 3.45Å; T279-E282 PolarHBondContact O-N 3.01Å; L280-E282 VanDerWaalsContact C-N 3.35Å; L280-E282 PolarHBondContact O-N 3.14Å; E282-S285 PolarHBondContact O-N 2.91Å |
| 283 | L | 92.7 | Very high | 91.8 | Very high | 31 Ų | 31 | 73.3 Ų | 73.3 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61 | -48.9 | 179.8 | -70.2 | 171.7 | 0 | 0 | 0 | 111.9 | T279 L280 S286 F328 | T279-L283 HydrophobicContact CG2-CD1 4.22Å; T279-L283 WeakPolarHBondContact O-CG 3.21Å; T279-L283 PolarHBondContact O-N 2.74Å; L280-L283 PolarHBondContact O-N 2.97Å; L283-S286 WeakPolarHBondContact O-CB 3.3Å; L283-S286 PolarHBondContact O-N 2.81Å; L283-S286 PolarHBondContact O-OG 2.9Å; L283-F328 HydrophobicContact CD2-CE1 3.91Å; L283-F328 HydrophobicContact CD2-CZ 4.42Å |
| 284 | F | 93.7 | Very high | 92 | Very high | 1 Ų | 1 | 74.6 Ų | 74.6 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -81.6 | -13.5 | -175.8 | -77.4 | -91.7 | 0 | 0 | 0 | 113.5 | V268 L280 S286 A287 V290 I310 Y312 A321 L325 V337 | V268-F284 HydrophobicContact CB-CZ 4.23Å; V268-F284 HydrophobicContact CG1-CE2 4.3Å; V268-F284 HydrophobicContact CG1-CZ 3.91Å; V268-F284 HydrophobicContact CG2-CE1 3.76Å; V268-F284 HydrophobicContact CG2-CE2 3.91Å; V268-F284 HydrophobicContact CG2-CZ 3.24Å; L280-F284 HydrophobicContact CD2-CD2 4.15Å; L280-F284 HydrophobicContact CD2-CE2 3.85Å; L280-F284 WeakPolarHBondContact O-CB 3.28Å; L280-F284 VanDerWaalsContact O-CD2 3.31Å; L280-F284 WeakPolarHBondContact O-CD2 3.36Å; L280-F284 PolarHBondContact O-N 2.86Å; F284-S286 PolarHBondContact O-N 2.79Å; F284-A287 PolarHBondContact O-N 2.67Å; F284-V290 HydrophobicContact CB-CG2 4.13Å; F284-I310 HydrophobicContact CB-CD1 3.99Å; F284-I310 HydrophobicContact CB-CG2 4.49Å; F284-I310 HydrophobicContact CD1-CD1 3.56Å; F284-I310 HydrophobicContact CD2-CD1 3.27Å; F284-I310 HydrophobicContact CE1-CD1 3.82Å; F284-I310 HydrophobicContact CE2-CD1 3.54Å; F284-I310 HydrophobicContact CG-CD1 3.29Å; F284-I310 HydrophobicContact CZ-CD1 3.82Å; F284-Y312 WeakPolarHBondContact CB-OH 3.23Å; F284-Y312 HydrophobicContact CD1-CE2 4.48Å; F284-Y312 VanDerWaalsContact CD1-OH 3.31Å; F284-Y312 WeakPolarHBondContact CD1-OH 3.4Å; F284-Y312 PolarHBondContact O-OH 3.12Å; F284-A321 HydrophobicContact CD1-CB 4.35Å; F284-L325 HydrophobicContact CD1-CD1 3.47Å; F284-L325 VanDerWaalsContact CD1-CD1 3.47Å; F284-L325 HydrophobicContact CD2-CD1 4.43Å; F284-L325 HydrophobicContact CE1-CD1 3.53Å; F284-L325 HydrophobicContact CE2-CD1 4.49Å; F284-L325 HydrophobicContact CG-CD1 3.94Å; F284-L325 HydrophobicContact CZ-CD1 4.05Å; F284-V337 HydrophobicContact CE1-CG1 4.18Å; F284-V337 HydrophobicContact CE1-CG2 4.38Å; F284-V337 HydrophobicContact CZ-CG2 4.14Å |
| 285 | S | 92.6 | Very high | 92.3 | Very high | 74 Ų | 74 | 68.2 Ų | 68.2 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67 | -21.3 | 170.8 | -175.9 | 0 | 0 | 0 | 0 | 112.6 | K281 E282 A287 G288 | K281-S285 WeakPolarHBondContact O-CB 3.31Å; K281-S285 PolarHBondContact O-N 3.36Å; E282-S285 PolarHBondContact O-N 2.91Å; S285-A287 VanDerWaalsContact C-N 3.3Å; S285-A287 PolarHBondContact O-N 3.43Å; S285-G288 PolarHBondContact O-N 3.29Å |
| 286 | S | 91.5 | Very high | 92.4 | Very high | 81 Ų | 81 | 68 Ų | 68 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.1 | 176.7 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | L283 F284 | L283-S286 WeakPolarHBondContact O-CB 3.3Å; L283-S286 PolarHBondContact O-N 2.81Å; L283-S286 PolarHBondContact O-OG 2.9Å; F284-S286 PolarHBondContact O-N 2.79Å |
| 287 | A | 90.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 70.1 Ų | 70.1 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -29.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F284 S285 A321 | F284-A287 PolarHBondContact O-N 2.67Å; S285-A287 VanDerWaalsContact C-N 3.3Å; S285-A287 PolarHBondContact O-N 3.43Å; A287-A321 HydrophobicContact CB-CB 3.6Å |
| 288 | G | 91.3 | Very high | 92.3 | Very high | 17 Ų | 17 | 68.6 Ų | 68.6 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 164.5 | -173.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S285 V290 | S285-G288 PolarHBondContact O-N 3.29Å; G288-V290 PolarHBondContact O-N 3.39Å |
| 289 | R | 92.2 | Very high | 92 | Very high | 195 Ų | 195 | 72.8 Ų | 72.8 | 74% | 0.736 | 35% | 0.351 | S | S | * | . | trans | -73 | 114.7 | -178.5 | -172.8 | 177.3 | -176.9 | 179.6 | 2.1 | 111.7 | A313 | R289-A313 PolarHBondContact O-N 3.4Š| ||
| 290 | V | 92.8 | Very high | 91.7 | Very high | 31 Ų | 31 | 78.5 Ų | 78.5 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132.3 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | F284 G288 I293 I310 Y312 | F284-V290 HydrophobicContact CB-CG2 4.13Å; G288-V290 PolarHBondContact O-N 3.39Å; V290-I293 HydrophobicContact CG1-CD1 4.03Å; V290-I293 HydrophobicContact CG1-CG1 3.53Å; V290-I310 HydrophobicContact CG1-CG2 3.65Å; V290-I310 HydrophobicContact CG2-CG2 4.14Å; V290-Y312 HydrophobicContact CG2-CD1 4.42Å; V290-Y312 HydrophobicContact CG2-CE1 3.81Å |
| 291 | M | 91.4 | Very high | 91.3 | Very high | 106 Ų | 106 | 82.4 Ų | 82.4 | 52% | 0.522 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -46.7 | 178.1 | -77.2 | -56.7 | -33.5 | 0 | 0 | 113 | S311 A313 | M291-S311 WeakPolarHBondContact CB-O 3.39Å; M291-S311 PolarHBondContact N-O 2.84Å; M291-A313 HydrophobicContact CG-CB 3.89Å; M291-A313 HydrophobicContact SD-CB 4.21Å |
| 292 | R | 90.9 | Very high | 90.8 | Very high | 148 Ų | 148 | 80.8 Ų | 80.8 | 56% | 0.558 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 141 | -178.1 | -69.5 | -178.4 | 175.7 | 166.9 | -7.6 | 109.7 | R261 S311 | R261-R292 VanDerWaalsContact NH1-NH1 3.16Å; R261-R292 VanDerWaalsContact NH1-NH2 3.14Å; R292-S311 PolarHBondContact N-O 3.21Å; R292-S311 PolarHBondContact O-N 3.31Å |
| 293 | I | 93.6 | Very high | 90.4 | Very high | 41 Ų | 41 | 80.4 Ų | 80.4 | 21% | 0.21 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.6 | 173.4 | -58.1 | 172.8 | 0 | 0 | 0 | 106.2 | L280 K281 V290 | L280-I293 HydrophobicContact CB-CG2 4.48Å; L280-I293 HydrophobicContact CD1-CG2 4.33Å; K281-I293 HydrophobicContact CB-CD1 3.59Å; K281-I293 HydrophobicContact CG-CD1 4.03Å; V290-I293 HydrophobicContact CG1-CD1 4.03Å; V290-I293 HydrophobicContact CG1-CG1 3.53Å |
| 294 | F | 93.2 | Very high | 90.1 | Very high | 132 Ų | 132 | 79.5 Ų | 79.5 | 58% | 0.579 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 104.9 | 172.4 | 179.6 | -93.7 | 0 | 0 | 0 | 108.3 | A296 A308 F309 | F294-A296 HydrophobicContact CE1-CB 4.34Å; F294-A308 CarbonylContact O-C 3.55Å; F294-A308 VanDerWaalsContact O-CA 3.31Å; F294-A308 WeakPolarHBondContact O-CA 3.29Å; F294-F309 HydrophobicContact CB-CB 4.35Å; F294-F309 HydrophobicContact CD1-CD2 4.02Å; F294-F309 PolarHBondContact N-O 3.1Å; F294-F309 PolarHBondContact O-N 3.34Å |
| 295 | L | 93.8 | Very high | 89.9 | Confident | 10 Ų | 10 | 85 Ų | 85 | 5% | 0.052 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118.1 | 175.9 | -178.2 | 53.5 | 0 | 0 | 0 | 108.8 | L271 I275 E277 L280 K297 C304 A308 | L271-L295 HydrophobicContact CD1-CD1 4.37Å; I275-L295 HydrophobicContact CG2-CD1 4.08Å; I275-L295 HydrophobicContact CG2-CD2 4.21Å; I275-L295 WeakPolarHBondContact O-CD2 3.5Å; E277-L295 HydrophobicContact CG-CB 3.77Å; E277-L295 HydrophobicContact CG-CD2 3.81Å; E277-L295 HydrophobicContact CG-CG 4.47Å; L280-L295 HydrophobicContact CD1-CD1 3.97Å; L280-L295 HydrophobicContact CD1-CD2 4.35Å; L295-K297 VanDerWaalsContact CD2-CE 3.49Å; L295-K297 HydrophobicContact CG-CG 4.21Å; L295-K297 PolarHBondContact O-N 2.88Å; L295-K297 VanDerWaalsContact O-N 3.08Å; L295-C304 HydrophobicContact CD1-CB 4.34Å; L295-A308 HydrophobicContact CD1-CB 3.97Å |
| 296 | A | 92 | Very high | 89.8 | Confident | 5 Ų | 5 | 82.4 Ų | 82.4 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 103.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F294 K305 Y307 | F294-A296 HydrophobicContact CE1-CB 4.34Å; A296-K305 HydrophobicContact CB-CB 4.37Å; A296-K305 WeakPolarHBondContact O-CB 3.29Å; A296-K305 PolarHBondContact O-N 3.19Å; A296-Y307 HydrophobicContact CB-CD1 4.26Å; A296-Y307 HydrophobicContact CB-CD2 3.7Å; A296-Y307 HydrophobicContact CB-CE1 3.85Å; A296-Y307 HydrophobicContact CB-CE2 3.23Å; A296-Y307 HydrophobicContact CB-CG 4.19Å; A296-Y307 WeakPolarHBondContact CB-O 3.41Å; A296-Y307 PolarHBondContact N-O 2.91Å |
| 297 | K | 92.2 | Very high | 89.9 | Confident | 88 Ų | 88 | 82.5 Ų | 82.5 | 38% | 0.383 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 146.5 | 175.5 | -64.2 | 171.2 | -179.3 | 160.8 | 0 | 110.4 | E277 L295 R303 | E277-K297 IonicContact OE1-NZ 2.83Å; E277-K297 PolarHBondContact OE1-NZ 2.97Å; L295-K297 VanDerWaalsContact CD2-CE 3.49Å; L295-K297 HydrophobicContact CG-CG 4.21Å; L295-K297 PolarHBondContact O-N 2.88Å; L295-K297 VanDerWaalsContact O-N 3.08Å; K297-R303 CarbonylContact C-O 3.54Å; K297-R303 VanDerWaalsContact CA-O 3.32Å; K297-R303 WeakPolarHBondContact CA-O 3.33Å |
| 298 | D | 88.6 | Confident | 90.1 | Very high | 51 Ų | 51 | 82.2 Ų | 82.2 | 27% | 0.273 | 39% | 0.39 | S | S | . | . | trans | -71 | 137.9 | 169.5 | -179.3 | 29.5 | 0 | 0 | 0 | 110.5 | L300 T301 S302 R303 K305 | D298-L300 VanDerWaalsContact C-N 3.3Å; D298-L300 PolarHBondContact O-N 3.07Å; D298-T301 WeakPolarHBondContact CB-OG1 3.28Å; D298-T301 PolarHBondContact OD2-N 3.2Å; D298-T301 PolarHBondContact OD2-OG1 2.99Å; D298-S302 WeakPolarHBondContact O-CA 3.33Å; D298-S302 PolarHBondContact O-N 2.85Å; D298-R303 PolarHBondContact N-O 2.89Å; D298-K305 HydrophobicContact CB-CG 4.44Å | ||
| 299 | K | 87.2 | Confident | 90.3 | Very high | 198 Ų | 198 | 84.7 Ų | 84.7 | 86% | 0.861 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -26.3 | -172.1 | -69.7 | 174.1 | -179.7 | -78 | 0 | 112.5 | ||
| 300 | L | 85.9 | Confident | 90.4 | Very high | 161 Ų | 161 | 75.4 Ų | 75.4 | 84% | 0.843 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -51 | -176.3 | -62.3 | 172.8 | 0 | 0 | 0 | 111 | D298 | D298-L300 VanDerWaalsContact C-N 3.3Å; D298-L300 PolarHBondContact O-N 3.07Å |
| 301 | T | 84.5 | Confident | 90.4 | Very high | 82 Ų | 82 | 74.5 Ų | 74.5 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -12.6 | -175.1 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | D298 R303 | D298-T301 WeakPolarHBondContact CB-OG1 3.28Å; D298-T301 PolarHBondContact OD2-N 3.2Å; D298-T301 PolarHBondContact OD2-OG1 2.99Å; T301-R303 PolarHBondContact O-N 3.48Å |
| 302 | S | 83 | Confident | 90.6 | Very high | 89 Ų | 89 | 69.6 Ų | 69.6 | 62% | 0.622 | 33% | 0.332 | S | S | * | . | trans | 56.3 | 10.8 | -171.3 | -59.9 | 0 | 0 | 0 | 0 | 115.1 | D298 | D298-S302 WeakPolarHBondContact O-CA 3.33Å; D298-S302 PolarHBondContact O-N 2.85Å | ||
| 303 | R | 84.2 | Confident | 90.5 | Very high | 143 Ų | 143 | 65.2 Ų | 65.2 | 54% | 0.54 | 33% | 0.327 | S | S | . | . | trans | -80.2 | 152.4 | 175.8 | -65.2 | -168.3 | -174 | -159.5 | 3.1 | 111.5 | E273 K297 D298 T301 | E273-R303 WeakPolarHBondContact OE2-CD 3.46Å; E273-R303 IonicContact OE2-CZ 2.8Å; E273-R303 IonicContact OE2-NH1 3.97Å; E273-R303 PolarHBondContact OE2-NH1 3.48Å; K297-R303 CarbonylContact C-O 3.54Å; K297-R303 VanDerWaalsContact CA-O 3.32Å; K297-R303 WeakPolarHBondContact CA-O 3.33Å; D298-R303 PolarHBondContact N-O 2.89Å; T301-R303 PolarHBondContact O-N 3.48Å | ||
| 304 | C | 87.3 | Confident | 90.3 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 8% | 0.081 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 134.7 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | E273 I275 L295 G306 | E273-C304 WeakPolarHBondContact O-CB 3.31Å; E273-C304 PolarHBondContact O-N 3.08Å; E273-C304 PolarHBondContact O-SG 2.82Å; E273-C304 VanDerWaalsContact O-SG 3.38Å; I275-C304 HydrophobicContact CG2-CB 4.4Å; I275-C304 PolarHBondContact O-SG 2.79Å; L295-C304 HydrophobicContact CD1-CB 4.34Å; C304-G306 PolarHBondContact O-N 2.86Å; C304-G306 VanDerWaalsContact O-N 3.14Å |
| 305 | K | 89.9 | Confident | 90.2 | Very high | 116 Ų | 116 | 65 Ų | 65 | 50% | 0.504 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 9.8 | 176.2 | -61.5 | -171.2 | 176.9 | -168.4 | 0 | 113.5 | A296 D298 Y307 | A296-K305 HydrophobicContact CB-CB 4.37Å; A296-K305 WeakPolarHBondContact O-CB 3.29Å; A296-K305 PolarHBondContact O-N 3.19Å; D298-K305 HydrophobicContact CB-CG 4.44Å; K305-Y307 HydrophobicContact CB-CD1 3.94Å; K305-Y307 HydrophobicContact CB-CE1 3.57Å; K305-Y307 HydrophobicContact CD-CE1 4.16Å; K305-Y307 WeakPolarHBondContact O-CD1 3.37Å |
| 306 | G | 90.7 | Very high | 90.2 | Very high | 19 Ų | 19 | 72.2 Ų | 72.2 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.9 | 11.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | N270 L271 C304 | N270-G306 PolarHBondContact N-O 3.05Å; N270-G306 VanDerWaalsContact N-O 3.08Å; L271-G306 PolarHBondContact N-O 2.84Å; C304-G306 PolarHBondContact O-N 2.86Å; C304-G306 VanDerWaalsContact O-N 3.14Å |
| 307 | Y | 93.7 | Very high | 90.2 | Very high | 83 Ų | 83 | 74 Ų | 74 | 33% | 0.325 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.2 | 174.6 | 68.3 | -86.8 | 0 | 0 | 0 | 113.7 | V268 A296 K305 F309 | V268-Y307 CarbonylContact O-C 3.53Å; V268-Y307 WeakPolarHBondContact O-CA 3.39Å; V268-Y307 WeakPolarHBondContact O-CB 3.31Å; A296-Y307 HydrophobicContact CB-CD1 4.26Å; A296-Y307 HydrophobicContact CB-CD2 3.7Å; A296-Y307 HydrophobicContact CB-CE1 3.85Å; A296-Y307 HydrophobicContact CB-CE2 3.23Å; A296-Y307 HydrophobicContact CB-CG 4.19Å; A296-Y307 WeakPolarHBondContact CB-O 3.41Å; A296-Y307 PolarHBondContact N-O 2.91Å; K305-Y307 HydrophobicContact CB-CD1 3.94Å; K305-Y307 HydrophobicContact CB-CE1 3.57Å; K305-Y307 HydrophobicContact CD-CE1 4.16Å; K305-Y307 WeakPolarHBondContact O-CD1 3.37Å; Y307-F309 HydrophobicContact CD2-CD2 4.45Å; Y307-F309 AromaticContact CD2-CE2 3.88Å; Y307-F309 HydrophobicContact CD2-CE2 3.88Å; Y307-F309 AromaticContact CE2-CE2 3.86Å; Y307-F309 HydrophobicContact CE2-CE2 3.86Å |
| 308 | A | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 155.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V268 L271 L280 F294 L295 | V268-A308 PolarHBondContact N-O 2.93Å; V268-A308 PolarHBondContact O-N 3.2Å; L271-A308 HydrophobicContact CD1-CB 3.58Å; L280-A308 HydrophobicContact CD1-CB 3.81Å; F294-A308 CarbonylContact O-C 3.55Å; F294-A308 VanDerWaalsContact O-CA 3.31Å; F294-A308 WeakPolarHBondContact O-CA 3.29Å; L295-A308 HydrophobicContact CD1-CB 3.97Å |
| 309 | F | 94.7 | Very high | 90.5 | Very high | 68 Ų | 68 | 70.8 Ų | 70.8 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.2 | 172.6 | -66.2 | -85 | 0 | 0 | 0 | 110.2 | V266 R267 F294 Y307 A340 | V266-F309 WeakPolarHBondContact O-CA 3.3Å; R267-F309 HydrophobicContact CB-CD1 4.12Å; R267-F309 HydrophobicContact CB-CE1 3.93Å; R267-F309 HydrophobicContact CG-CD1 4.19Å; R267-F309 HydrophobicContact CG-CE1 3.72Å; R267-F309 HydrophobicContact CG-CZ 4.18Å; F294-F309 HydrophobicContact CB-CB 4.35Å; F294-F309 HydrophobicContact CD1-CD2 4.02Å; F294-F309 PolarHBondContact N-O 3.1Å; F294-F309 PolarHBondContact O-N 3.34Å; Y307-F309 HydrophobicContact CD2-CD2 4.45Å; Y307-F309 AromaticContact CD2-CE2 3.88Å; Y307-F309 HydrophobicContact CD2-CE2 3.88Å; Y307-F309 AromaticContact CE2-CE2 3.86Å; Y307-F309 HydrophobicContact CE2-CE2 3.86Å; F309-A340 HydrophobicContact CD1-CB 3.99Å; F309-A340 HydrophobicContact CE1-CB 4.02Å |
| 310 | I | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 118.7 | -175.8 | -58 | -180 | 0 | 0 | 0 | 108.3 | T265 V266 V268 F284 V290 Y312 | T265-I310 WeakPolarHBondContact CA-O 3.23Å; V266-I310 PolarHBondContact N-O 2.66Å; V266-I310 PolarHBondContact O-N 3.33Å; V268-I310 HydrophobicContact CG2-CD1 3.81Å; V268-I310 HydrophobicContact CG2-CG1 4.3Å; F284-I310 HydrophobicContact CB-CD1 3.99Å; F284-I310 HydrophobicContact CB-CG2 4.49Å; F284-I310 HydrophobicContact CD1-CD1 3.56Å; F284-I310 HydrophobicContact CD2-CD1 3.27Å; F284-I310 HydrophobicContact CE1-CD1 3.82Å; F284-I310 HydrophobicContact CE2-CD1 3.54Å; F284-I310 HydrophobicContact CG-CD1 3.29Å; F284-I310 HydrophobicContact CZ-CD1 3.82Å; V290-I310 HydrophobicContact CG1-CG2 3.65Å; V290-I310 HydrophobicContact CG2-CG2 4.14Å; I310-Y312 HydrophobicContact CG2-CD2 4.31Å; I310-Y312 HydrophobicContact CG2-CE2 3.86Å |
| 311 | S | 93.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.4 | 177.8 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | M291 R292 | M291-S311 WeakPolarHBondContact CB-O 3.39Å; M291-S311 PolarHBondContact N-O 2.84Å; R292-S311 PolarHBondContact N-O 3.21Å; R292-S311 PolarHBondContact O-N 3.31Å |
| 312 | Y | 94.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 154.4 | 174.7 | -78 | -83.3 | 0 | 0 | 0 | 112.1 | N264 V266 F284 V290 I310 A314 N317 A318 A321 | N264-Y312 WeakPolarHBondContact CB-O 3.45Å; N264-Y312 PolarHBondContact O-N 3.21Å; V266-Y312 HydrophobicContact CG2-CD2 4.09Å; V266-Y312 HydrophobicContact CG2-CE2 4.14Å; F284-Y312 WeakPolarHBondContact CB-OH 3.23Å; F284-Y312 HydrophobicContact CD1-CE2 4.48Å; F284-Y312 VanDerWaalsContact CD1-OH 3.31Å; F284-Y312 WeakPolarHBondContact CD1-OH 3.4Å; F284-Y312 PolarHBondContact O-OH 3.12Å; V290-Y312 HydrophobicContact CG2-CD1 4.42Å; V290-Y312 HydrophobicContact CG2-CE1 3.81Å; I310-Y312 HydrophobicContact CG2-CD2 4.31Å; I310-Y312 HydrophobicContact CG2-CE2 3.86Å; Y312-A314 VanDerWaalsContact C-N 3.32Å; Y312-N317 HydrophobicContact CD1-CB 3.68Å; Y312-N317 HydrophobicContact CE1-CB 4.25Å; Y312-N317 HydrophobicContact CG-CB 4.12Å; Y312-A318 HydrophobicContact CD2-CB 3.82Å; Y312-A318 HydrophobicContact CG-CB 4.28Å; Y312-A321 HydrophobicContact CE2-CB 3.84Å; Y312-A321 WeakPolarHBondContact OH-CB 3.06Å |
| 313 | A | 89.8 | Confident | 92.3 | Very high | 56 Ų | 56 | 57.3 Ų | 57.3 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -67.4 | -33.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R289 M291 | R289-A313 PolarHBondContact O-N 3.4Å; M291-A313 HydrophobicContact CG-CB 3.89Å; M291-A313 HydrophobicContact SD-CB 4.21Å |
| 314 | A | 89.7 | Confident | 92.7 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -128.1 | 143 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y312 E316 N317 A318 | Y312-A314 VanDerWaalsContact C-N 3.32Å; A314-E316 VanDerWaalsContact C-N 3.27Å; A314-E316 PolarHBondContact O-N 3.23Å; A314-N317 PolarHBondContact O-N 2.83Å; A314-A318 PolarHBondContact O-N 3.44Å |
| 315 | R | 91 | Very high | 92.9 | Very high | 134 Ų | 134 | 54.5 Ų | 54.5 | 51% | 0.506 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.7 | -35.8 | 177.6 | -171.3 | 177.6 | 175.1 | 79.3 | 2.7 | 112.7 | E263 N264 N317 A318 Q319 W339 | E263-R315 PolarHBondContact O-NH1 3.31Å; N264-R315 WeakPolarHBondContact OD1-CB 3.4Å; R315-N317 VanDerWaalsContact C-N 3.3Å; R315-N317 PolarHBondContact O-N 2.89Å; R315-A318 WeakPolarHBondContact O-CB 3.44Å; R315-A318 PolarHBondContact O-N 3.38Å; R315-Q319 PolarHBondContact O-N 3.37Å; R315-W339 HydrophobicContact CG-CH2 3.81Å |
| 316 | E | 92.6 | Very high | 93 | Very high | 162 Ų | 162 | 51.9 Ų | 51.9 | 76% | 0.757 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.4 | -39.6 | 178 | -63.8 | 174.7 | -178 | 0 | 0 | 112 | A314 Q319 K320 | A314-E316 VanDerWaalsContact C-N 3.27Å; A314-E316 PolarHBondContact O-N 3.23Å; E316-Q319 PolarHBondContact O-N 2.94Å; E316-K320 WeakPolarHBondContact O-CB 3.41Å; E316-K320 PolarHBondContact O-N 3.43Å |
| 317 | N | 93.5 | Very high | 92.9 | Very high | 42 Ų | 42 | 53.1 Ų | 53.1 | 23% | 0.225 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.2 | -37.3 | 177.2 | -65.1 | -22.8 | 0 | 0 | 0 | 111.7 | Y312 A314 R315 A321 | Y312-N317 HydrophobicContact CD1-CB 3.68Å; Y312-N317 HydrophobicContact CE1-CB 4.25Å; Y312-N317 HydrophobicContact CG-CB 4.12Å; A314-N317 PolarHBondContact O-N 2.83Å; R315-N317 VanDerWaalsContact C-N 3.3Å; R315-N317 PolarHBondContact O-N 2.89Å; N317-A321 WeakPolarHBondContact O-CB 3.22Å; N317-A321 PolarHBondContact O-N 3.22Å |
| 318 | A | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V266 Y312 A314 R315 A321 I322 W339 | V266-A318 HydrophobicContact CG2-CB 3.59Å; Y312-A318 HydrophobicContact CD2-CB 3.82Å; Y312-A318 HydrophobicContact CG-CB 4.28Å; A314-A318 PolarHBondContact O-N 3.44Å; R315-A318 WeakPolarHBondContact O-CB 3.44Å; R315-A318 PolarHBondContact O-N 3.38Å; A318-A321 WeakPolarHBondContact O-CB 3.3Å; A318-A321 PolarHBondContact O-N 2.91Å; A318-I322 WeakPolarHBondContact O-CG1 3.41Å; A318-I322 PolarHBondContact O-N 3.46Å; A318-I322 VanDerWaalsContact O-N 3.07Å; A318-W339 HydrophobicContact CB-CH2 3.67Å; A318-W339 HydrophobicContact CB-CZ3 3.76Å |
| 319 | Q | 93.8 | Very high | 92.6 | Very high | 71 Ų | 71 | 62.6 Ų | 62.6 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.6 | -176.7 | 59.4 | 39.4 | 0 | 0 | 111.4 | R315 E316 A321 I322 D323 W339 | R315-Q319 PolarHBondContact O-N 3.37Å; E316-Q319 PolarHBondContact O-N 2.94Å; Q319-A321 VanDerWaalsContact C-N 3.26Å; Q319-A321 PolarHBondContact O-N 2.91Å; Q319-I322 WeakPolarHBondContact O-CB 3.37Å; Q319-I322 PolarHBondContact O-N 3.31Å; Q319-I322 VanDerWaalsContact O-N 3.08Å; Q319-D323 PolarHBondContact NE2-OD1 3.36Å; Q319-D323 PolarHBondContact NE2-OD2 3.37Å; Q319-D323 VanDerWaalsContact NE2-OD2 3.12Å; Q319-D323 PolarHBondContact O-N 3Å; Q319-W339 HydrophobicContact CB-CZ2 4.1Å; Q319-W339 VanDerWaalsContact OE1-CZ2 3.22Å |
| 320 | K | 94.2 | Very high | 92.2 | Very high | 115 Ų | 115 | 61.1 Ų | 61.1 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.3 | -37.7 | 176 | -170.9 | 178.9 | -179.5 | -173.7 | 0 | 112.4 | E316 D323 T324 | E316-K320 WeakPolarHBondContact O-CB 3.41Å; E316-K320 PolarHBondContact O-N 3.43Å; K320-D323 PolarHBondContact O-N 2.97Å; K320-T324 VanDerWaalsContact O-CB 3.31Å; K320-T324 WeakPolarHBondContact O-CB 3.32Å; K320-T324 PolarHBondContact O-N 3.01Å; K320-T324 PolarHBondContact O-OG1 3.2Å |
| 321 | A | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | F284 A287 Y312 N317 A318 Q319 L325 | F284-A321 HydrophobicContact CD1-CB 4.35Å; A287-A321 HydrophobicContact CB-CB 3.6Å; Y312-A321 HydrophobicContact CE2-CB 3.84Å; Y312-A321 WeakPolarHBondContact OH-CB 3.06Å; N317-A321 WeakPolarHBondContact O-CB 3.22Å; N317-A321 PolarHBondContact O-N 3.22Å; A318-A321 WeakPolarHBondContact O-CB 3.3Å; A318-A321 PolarHBondContact O-N 2.91Å; Q319-A321 VanDerWaalsContact C-N 3.26Å; Q319-A321 PolarHBondContact O-N 2.91Å; A321-L325 HydrophobicContact CB-CD1 4.28Å; A321-L325 WeakPolarHBondContact O-CB 3.45Å; A321-L325 PolarHBondContact O-N 3.17Å |
| 322 | I | 94.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 73.8 Ų | 73.8 | 11% | 0.108 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 175.9 | -67.5 | 163.5 | 0 | 0 | 0 | 110.5 | V266 A318 Q319 T324 S326 V337 W339 | V266-I322 HydrophobicContact CG1-CG1 4.13Å; V266-I322 HydrophobicContact CG2-CD1 4.43Å; V266-I322 HydrophobicContact CG2-CG1 4.42Å; A318-I322 WeakPolarHBondContact O-CG1 3.41Å; A318-I322 PolarHBondContact O-N 3.46Å; A318-I322 VanDerWaalsContact O-N 3.07Å; Q319-I322 WeakPolarHBondContact O-CB 3.37Å; Q319-I322 PolarHBondContact O-N 3.31Å; Q319-I322 VanDerWaalsContact O-N 3.08Å; I322-T324 VanDerWaalsContact C-N 3.34Å; I322-T324 PolarHBondContact O-N 2.99Å; I322-S326 WeakPolarHBondContact O-CB 3.5Å; I322-S326 PolarHBondContact O-N 3.37Å; I322-S326 VanDerWaalsContact O-N 3.17Å; I322-V337 HydrophobicContact CG1-CG1 3.95Å; I322-W339 HydrophobicContact CD1-CD2 3.62Å; I322-W339 HydrophobicContact CD1-CE3 4.31Å; I322-W339 HydrophobicContact CD1-CG 3.8Å; I322-W339 HydrophobicContact CD1-CZ2 3.89Å; I322-W339 VanDerWaalsContact CD1-NE1 3.35Å |
| 323 | D | 93.7 | Very high | 91.3 | Very high | 112 Ų | 112 | 75.4 Ų | 75.4 | 60% | 0.599 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -69.3 | -32 | -175.2 | -61.8 | -29.2 | 0 | 0 | 0 | 112.9 | Q319 K320 | Q319-D323 PolarHBondContact NE2-OD1 3.36Å; Q319-D323 PolarHBondContact NE2-OD2 3.37Å; Q319-D323 VanDerWaalsContact NE2-OD2 3.12Å; Q319-D323 PolarHBondContact O-N 3Å; K320-D323 PolarHBondContact O-N 2.97Å |
| 324 | T | 92.1 | Very high | 91.5 | Very high | 87 Ų | 87 | 77.1 Ų | 77.1 | 53% | 0.534 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -93 | -37.6 | -175.3 | -46 | 0 | 0 | 0 | 0 | 113 | K320 I322 | K320-T324 VanDerWaalsContact O-CB 3.31Å; K320-T324 WeakPolarHBondContact O-CB 3.32Å; K320-T324 PolarHBondContact O-N 3.01Å; K320-T324 PolarHBondContact O-OG1 3.2Å; I322-T324 VanDerWaalsContact C-N 3.34Å; I322-T324 PolarHBondContact O-N 2.99Å |
| 325 | L | 92.7 | Very high | 91.6 | Very high | 9 Ų | 9 | 75.6 Ų | 75.6 | 5% | 0.047 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -99.8 | -11.6 | -171.6 | -60.2 | 168.2 | 0 | 0 | 0 | 113.1 | F284 A321 G327 F328 V337 | F284-L325 HydrophobicContact CD1-CD1 3.47Å; F284-L325 VanDerWaalsContact CD1-CD1 3.47Å; F284-L325 HydrophobicContact CD2-CD1 4.43Å; F284-L325 HydrophobicContact CE1-CD1 3.53Å; F284-L325 HydrophobicContact CE2-CD1 4.49Å; F284-L325 HydrophobicContact CG-CD1 3.94Å; F284-L325 HydrophobicContact CZ-CD1 4.05Å; A321-L325 HydrophobicContact CB-CD1 4.28Å; A321-L325 WeakPolarHBondContact O-CB 3.45Å; A321-L325 PolarHBondContact O-N 3.17Å; L325-G327 PolarHBondContact O-N 3.41Å; L325-F328 VanDerWaalsContact O-CB 3.26Å; L325-F328 WeakPolarHBondContact O-CB 3.36Å; L325-F328 PolarHBondContact O-N 3.13Å; L325-F328 VanDerWaalsContact O-N 3.14Å; L325-V337 HydrophobicContact CB-CG2 4.03Å |
| 326 | S | 91.6 | Very high | 91.8 | Very high | 61 Ų | 61 | 74.1 Ų | 74.1 | 43% | 0.427 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 121.6 | 170.6 | -170.2 | 0 | 0 | 0 | 0 | 110 | I322 | I322-S326 WeakPolarHBondContact O-CB 3.5Å; I322-S326 PolarHBondContact O-N 3.37Å; I322-S326 VanDerWaalsContact O-N 3.17Å |
| 327 | G | 89.3 | Confident | 91.9 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 46% | 0.464 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 2.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L325 R329 L335 | L325-G327 PolarHBondContact O-N 3.41Å; G327-R329 PolarHBondContact O-N 3.38Å; G327-L335 PolarHBondContact N-O 3.41Å |
| 328 | F | 91 | Very high | 91.9 | Very high | 88 Ų | 88 | 67.6 Ų | 67.6 | 39% | 0.386 | 34% | 0.335 | S | S | . | . | trans | -67.6 | 126.5 | 176.4 | -173.1 | -99.5 | 0 | 0 | 0 | 110.6 | L283 L325 H330 L335 | L283-F328 HydrophobicContact CD2-CE1 3.91Å; L283-F328 HydrophobicContact CD2-CZ 4.42Å; L325-F328 VanDerWaalsContact O-CB 3.26Å; L325-F328 WeakPolarHBondContact O-CB 3.36Å; L325-F328 PolarHBondContact O-N 3.13Å; L325-F328 VanDerWaalsContact O-N 3.14Å; F328-H330 HydrophobicContact CD1-CB 4.26Å; F328-H330 HydrophobicContact CE1-CB 4.28Å; F328-H330 PolarHBondContact O-N 3.12Å; F328-L335 HydrophobicContact CD1-CD1 4.28Å; F328-L335 PolarHBondContact O-N 3.15Å | ||
| 329 | R | 90.6 | Very high | 92 | Very high | 194 Ų | 194 | 71 Ų | 71 | 73% | 0.732 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 114.1 | 174.2 | -77.5 | -172.4 | -59.3 | -96.7 | 1.2 | 109.6 | G327 L333 I334 | G327-R329 PolarHBondContact O-N 3.38Å; R329-L333 WeakPolarHBondContact CA-O 3.41Å; R329-I334 HydrophobicContact CG-CG1 3.81Å |
| 330 | H | 86.6 | Confident | 91.7 | Very high | 36 Ų | 36 | 68.9 Ų | 68.9 | 17% | 0.167 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.1 | 169.7 | -167.7 | 65.5 | 0 | 0 | 0 | 108.1 | F328 H332 L333 L335 | F328-H330 HydrophobicContact CD1-CB 4.26Å; F328-H330 HydrophobicContact CE1-CB 4.28Å; F328-H330 PolarHBondContact O-N 3.12Å; H330-H332 PolarHBondContact O-N 2.96Å; H330-L333 PolarHBondContact N-O 3.33Å; H330-L333 PolarHBondContact O-N 3.28Å; H330-L333 VanDerWaalsContact O-N 3.14Å; H330-L333 VanDerWaalsContact O-O 3.05Å; H330-L335 HydrophobicContact CB-CD1 3.94Å; H330-L335 HydrophobicContact CB-CD2 4.36Å; H330-L335 HydrophobicContact CB-CG 4.08Å |
| 331 | E | 86.4 | Confident | 90.9 | Very high | 121 Ų | 121 | 78.3 Ų | 78.3 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -121.3 | -170.2 | -52.9 | -177.7 | 159.4 | 0 | 0 | 112.6 | P272 | P272-E331 WeakPolarHBondContact CB-OE2 3.43Š|
| 332 | H | 87 | Confident | 90.7 | Very high | 157 Ų | 157 | 82.3 Ų | 82.3 | 73% | 0.727 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 3.2 | 180 | 60.8 | -77.4 | 0 | 0 | 0 | 112.6 | H330 | H330-H332 PolarHBondContact O-N 2.96Š|
| 333 | L | 89.8 | Confident | 90.5 | Very high | 38 Ų | 38 | 85.5 Ų | 85.5 | 20% | 0.199 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.1 | -175.4 | -68.5 | 162.3 | 0 | 0 | 0 | 111.8 | P272 R329 H330 | P272-L333 HydrophobicContact CB-CD1 3.92Å; P272-L333 HydrophobicContact CG-CD1 4.5Å; R329-L333 WeakPolarHBondContact CA-O 3.41Å; H330-L333 PolarHBondContact N-O 3.33Å; H330-L333 PolarHBondContact O-N 3.28Å; H330-L333 VanDerWaalsContact O-N 3.14Å; H330-L333 VanDerWaalsContact O-O 3.05Å |
| 334 | I | 92.5 | Very high | 90.3 | Very high | 92 Ų | 92 | 84 Ų | 84 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116.9 | 174.3 | -62.2 | 170 | 0 | 0 | 0 | 107.8 | N270 R329 | N270-I334 PolarHBondContact ND2-O 3.29Å; R329-I334 HydrophobicContact CG-CG1 3.81Å |
| 335 | L | 93.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 83.8 Ų | 83.8 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | trans | -72 | 136.4 | -179.2 | -56.4 | -176.9 | 0 | 0 | 0 | 110.5 | N270 L271 G327 F328 H330 | N270-L335 WeakPolarHBondContact O-CD2 3.3Å; L271-L335 HydrophobicContact CD2-CD2 3.63Å; L271-L335 HydrophobicContact CG-CD2 4.45Å; G327-L335 PolarHBondContact N-O 3.41Å; F328-L335 HydrophobicContact CD1-CD1 4.28Å; F328-L335 PolarHBondContact O-N 3.15Å; H330-L335 HydrophobicContact CB-CD1 3.94Å; H330-L335 HydrophobicContact CB-CD2 4.36Å; H330-L335 HydrophobicContact CB-CG 4.08Å | ||
| 336 | K | 93.8 | Very high | 90 | Very high | 104 Ų | 104 | 88.5 Ų | 88.5 | 45% | 0.452 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.9 | 172.4 | -173.2 | -168.8 | -161.5 | -156.4 | 0 | 109.5 | T269 E338 | T269-K336 PolarHBondContact N-O 2.82Å; T269-K336 PolarHBondContact O-N 2.82Å; T269-K336 VanDerWaalsContact O-N 3.09Å; T269-K336 WeakPolarHBondContact OG1-CB 3.19Å; T269-K336 PolarHBondContact OG1-O 3.01Å; T269-K336 VanDerWaalsContact OG1-O 3.06Å; K336-E338 WeakPolarHBondContact CE-OE1 3.47Å; K336-E338 HydrophobicContact CG-CG 4.45Å; K336-E338 IonicContact NZ-OE1 2.86Å; K336-E338 PolarHBondContact NZ-OE1 3.37Å |
| 337 | V | 95.2 | Very high | 89.9 | Confident | 3 Ų | 3 | 90.3 Ų | 90.3 | 2% | 0.018 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.7 | -172.2 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | V266 V268 F284 I322 L325 | V266-V337 HydrophobicContact CG1-CG1 3.15Å; V268-V337 HydrophobicContact CG1-CG2 4.39Å; F284-V337 HydrophobicContact CE1-CG1 4.18Å; F284-V337 HydrophobicContact CE1-CG2 4.38Å; F284-V337 HydrophobicContact CZ-CG2 4.14Å; I322-V337 HydrophobicContact CG1-CG1 3.95Å; L325-V337 HydrophobicContact CB-CG2 4.03Å |
| 338 | E | 94.5 | Very high | 90 | Very high | 63 Ų | 63 | 93.6 Ų | 93.6 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 164 | -176.2 | -67.8 | -179.4 | 158.7 | 0 | 0 | 111 | V266 R267 K336 | V266-E338 CarbonylContact C-O 3.55Å; V266-E338 WeakPolarHBondContact CA-O 3.32Å; V266-E338 WeakPolarHBondContact CG1-O 3.48Å; R267-E338 IonicContact CZ-OE2 2.64Å; R267-E338 PolarHBondContact N-O 2.97Å; R267-E338 IonicContact NE-OE2 2.77Å; R267-E338 IonicContact NH2-OE2 3.78Å; R267-E338 PolarHBondContact NH2-OE2 2.83Å; R267-E338 PolarHBondContact O-N 2.76Å; K336-E338 WeakPolarHBondContact CE-OE1 3.47Å; K336-E338 HydrophobicContact CG-CG 4.45Å; K336-E338 IonicContact NZ-OE1 2.86Å; K336-E338 PolarHBondContact NZ-OE1 3.37Å |
| 339 | W | 94.1 | Very high | 89.9 | Confident | 73 Ų | 73 | 94 Ų | 94 | 28% | 0.277 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 138.4 | 168.1 | -71.2 | 104.1 | 0 | 0 | 0 | 111 | E263 R315 A318 Q319 I322 | E263-W339 VanDerWaalsContact O-CZ3 3.27Å; E263-W339 WeakPolarHBondContact O-CZ3 3.35Å; R315-W339 HydrophobicContact CG-CH2 3.81Å; A318-W339 HydrophobicContact CB-CH2 3.67Å; A318-W339 HydrophobicContact CB-CZ3 3.76Å; Q319-W339 HydrophobicContact CB-CZ2 4.1Å; Q319-W339 VanDerWaalsContact OE1-CZ2 3.22Å; I322-W339 HydrophobicContact CD1-CD2 3.62Å; I322-W339 HydrophobicContact CD1-CE3 4.31Å; I322-W339 HydrophobicContact CD1-CG 3.8Å; I322-W339 HydrophobicContact CD1-CZ2 3.89Å; I322-W339 VanDerWaalsContact CD1-NE1 3.35Å |
| 340 | A | 87.9 | Confident | 89.8 | Confident | 26 Ų | 26 | 85.7 Ų | 85.7 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | trans | -69.7 | 140.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T265 R267 F309 | T265-A340 PolarHBondContact O-N 2.76Å; T265-A340 VanDerWaalsContact O-N 3.1Å; T265-A340 WeakPolarHBondContact OG1-CB 3.26Å; R267-A340 HydrophobicContact CB-CB 4.41Å; F309-A340 HydrophobicContact CD1-CB 3.99Å; F309-A340 HydrophobicContact CE1-CB 4.02Å | ||
| 341 | R | 76.8 | Confident | 90.1 | Very high | 313 Ų | 313 | 90.2 Ų | 90.2 | 100% | 1.181 | 40% | 0.401 | S | S | * | . | trans | -113.7 | 0 | 178.7 | -78.5 | -170.9 | 176.7 | -175.3 | -0.3 | 111 |
Retrieved 341 of 341 residues in 74 ms
(Link to these results)