| 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 | 38.6 | Very low | 42 | Very low | 179 Ų | 179 | 86.1 Ų | 86.1 | 88% | 0.882 | 49% | 0.49 | S | S | * | . | 0 | 116.2 | 0 | -166.9 | 174.4 | -90.1 | 0 | 0 | 106.1 | F3 E9 | M1-F3 HydrophobicContact CB-CE2 4.3Å; M1-F3 HydrophobicContact CG-CD2 4.49Å; M1-F3 HydrophobicContact CG-CE2 3.63Å; M1-F3 HydrophobicContact CG-CZ 3.68Å; M1-F3 HydrophobicContact SD-CE2 3.88Å; M1-F3 HydrophobicContact SD-CZ 3.51Å; M1-F3 VanDerWaalsContact SD-CZ 3.51Å; M1-E9 WeakPolarHBondContact CE-OE1 3.39Å; M1-E9 HydrophobicContact CG-CG 4.33Å | |||
| 2 | T | 36.2 | Very low | 43.5 | Very low | 87 Ų | 87 | 84 Ų | 84 | 53% | 0.534 | 48% | 0.476 | S | S | . | . | trans | -111.1 | 136.7 | -178.8 | 29.8 | 0 | 0 | 0 | 0 | 107.6 | V10 | T2-V10 VanDerWaalsContact O-CB 3.23Å; T2-V10 WeakPolarHBondContact O-CB 3.44Å; T2-V10 VanDerWaalsContact O-CG2 3.26Å; T2-V10 WeakPolarHBondContact O-CG2 3.26Å; T2-V10 PolarHBondContact O-N 3.22Å | ||
| 3 | F | 36.4 | Very low | 44.7 | Very low | 117 Ų | 117 | 88.6 Ų | 88.6 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | B | Isolated β-bridge | trans | -114.4 | 143.1 | 179.4 | -66 | -89.6 | 0 | 0 | 0 | 108.8 | M1 G7 K8 E9 | M1-F3 HydrophobicContact CB-CE2 4.3Å; M1-F3 HydrophobicContact CG-CD2 4.49Å; M1-F3 HydrophobicContact CG-CE2 3.63Å; M1-F3 HydrophobicContact CG-CZ 3.68Å; M1-F3 HydrophobicContact SD-CE2 3.88Å; M1-F3 HydrophobicContact SD-CZ 3.51Å; M1-F3 VanDerWaalsContact SD-CZ 3.51Å; F3-G7 WeakPolarHBondContact CD1-O 3.34Å; F3-K8 CarbonylContact C-O 3.58Å; F3-K8 VanDerWaalsContact CA-O 3.25Å; F3-K8 WeakPolarHBondContact CA-O 3.32Å; F3-E9 HydrophobicContact CD1-CB 4.21Å; F3-E9 HydrophobicContact CE1-CB 4.03Å; F3-E9 HydrophobicContact CE1-CG 4.17Å |
| 4 | E | 41.6 | Very low | 46 | Very low | 56 Ų | 56 | 89.6 Ų | 89.6 | 26% | 0.262 | 49% | 0.486 | S | S | . | . | trans | -66.3 | 159.7 | 166.5 | -66.6 | -163.6 | 163.1 | 0 | 0 | 109.9 | D6 G7 K8 V10 | E4-D6 VanDerWaalsContact CB-OD1 3.31Å; E4-D6 WeakPolarHBondContact CB-OD1 3.39Å; E4-D6 PolarHBondContact O-N 2.92Å; E4-G7 PolarHBondContact O-N 2.77Å; E4-K8 PolarHBondContact N-O 3.18Å; E4-V10 HydrophobicContact CG-CG2 3.87Å | ||
| 5 | P | 36.4 | Very low | 47.7 | Very low | 125 Ų | 125 | 85.1 Ų | 85.1 | 81% | 0.812 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.5 | 180 | -24.2 | 33.6 | 0 | 0 | 0 | 114.8 | ||
| 6 | D | 45.8 | Very low | 49.3 | Very low | 77 Ų | 77 | 80.2 Ų | 80.2 | 41% | 0.412 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 9.3 | 174.4 | 66.6 | -6.3 | 0 | 0 | 0 | 113.3 | E4 K8 | E4-D6 VanDerWaalsContact CB-OD1 3.31Å; E4-D6 WeakPolarHBondContact CB-OD1 3.39Å; E4-D6 PolarHBondContact O-N 2.92Å; D6-K8 PolarHBondContact O-N 2.92Å; D6-K8 WeakPolarHBondContact OD1-CB 3.35Å; D6-K8 WeakPolarHBondContact OD1-CG 3.35Å; D6-K8 PolarHBondContact OD1-N 3.26Å; D6-K8 WeakPolarHBondContact OD2-CD 3.34Å; D6-K8 WeakPolarHBondContact OD2-CE 3.21Å; D6-K8 IonicContact OD2-NZ 3.27Å; D6-K8 PolarHBondContact OD2-NZ 2.84Å |
| 7 | G | 41.8 | Very low | 50.9 | Low | 54 Ų | 54 | 81.4 Ų | 81.4 | 56% | 0.557 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 78.5 | 3.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | F3 E4 | F3-G7 WeakPolarHBondContact CD1-O 3.34Å; E4-G7 PolarHBondContact O-N 2.77Å |
| 8 | K | 42.3 | Very low | 52.3 | Low | 77 Ų | 77 | 80.2 Ų | 80.2 | 34% | 0.335 | 43% | 0.428 | S | S | . | . | trans | -76 | 141.9 | 174.6 | -63.4 | -176.3 | -171.7 | 169.4 | 0 | 110.5 | F3 E4 D6 V10 D15 | F3-K8 CarbonylContact C-O 3.58Å; F3-K8 VanDerWaalsContact CA-O 3.25Å; F3-K8 WeakPolarHBondContact CA-O 3.32Å; E4-K8 PolarHBondContact N-O 3.18Å; D6-K8 PolarHBondContact O-N 2.92Å; D6-K8 WeakPolarHBondContact OD1-CB 3.35Å; D6-K8 WeakPolarHBondContact OD1-CG 3.35Å; D6-K8 PolarHBondContact OD1-N 3.26Å; D6-K8 WeakPolarHBondContact OD2-CD 3.34Å; D6-K8 WeakPolarHBondContact OD2-CE 3.21Å; D6-K8 IonicContact OD2-NZ 3.27Å; D6-K8 PolarHBondContact OD2-NZ 2.84Å; K8-V10 PolarHBondContact O-N 3.29Å; K8-D15 WeakPolarHBondContact CD-OD2 3.45Å; K8-D15 IonicContact NZ-OD1 3.14Å; K8-D15 PolarHBondContact NZ-OD1 2.89Å; K8-D15 IonicContact NZ-OD2 3.78Å | ||
| 9 | E | 45 | Very low | 53.7 | Low | 98 Ų | 98 | 80.3 Ų | 80.3 | 46% | 0.458 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 129.6 | 175.4 | -162 | 176.3 | -177.1 | 0 | 0 | 108.5 | M1 F3 G11 D12 | M1-E9 WeakPolarHBondContact CE-OE1 3.39Å; M1-E9 HydrophobicContact CG-CG 4.33Å; F3-E9 HydrophobicContact CD1-CB 4.21Å; F3-E9 HydrophobicContact CE1-CB 4.03Å; F3-E9 HydrophobicContact CE1-CG 4.17Å; E9-G11 VanDerWaalsContact C-N 3.26Å; E9-G11 PolarHBondContact O-N 3.3Å; E9-D12 PolarHBondContact O-N 3.45Å |
| 10 | V | 47.9 | Very low | 55 | Low | 39 Ų | 39 | 77 Ų | 77 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 97.9 | 169.2 | 177.8 | 0 | 0 | 0 | 0 | 106.1 | T2 E4 K8 L46 Y53 | T2-V10 VanDerWaalsContact O-CB 3.23Å; T2-V10 WeakPolarHBondContact O-CB 3.44Å; T2-V10 VanDerWaalsContact O-CG2 3.26Å; T2-V10 WeakPolarHBondContact O-CG2 3.26Å; T2-V10 PolarHBondContact O-N 3.22Å; E4-V10 HydrophobicContact CG-CG2 3.87Å; K8-V10 PolarHBondContact O-N 3.29Å; V10-L46 HydrophobicContact CG1-CD1 4.37Å; V10-L46 HydrophobicContact CG1-CD2 3.87Å; V10-Y53 WeakPolarHBondContact CG1-OH 3.48Å |
| 11 | G | 50.4 | Low | 56.1 | Low | 38 Ų | 38 | 76.7 Ų | 76.7 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 133 | 5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E9 R13 Y53 | E9-G11 VanDerWaalsContact C-N 3.26Å; E9-G11 PolarHBondContact O-N 3.3Å; G11-R13 PolarHBondContact O-N 2.91Å; G11-Y53 WeakPolarHBondContact CA-OH 3.25Å; G11-Y53 PolarHBondContact N-OH 3.48Å |
| 12 | D | 59.3 | Low | 58 | Low | 61 Ų | 61 | 71.8 Ų | 71.8 | 33% | 0.326 | 38% | 0.38 | S | S | . | . | trans | -60.1 | 114.6 | 168.3 | -169.9 | -14 | 0 | 0 | 0 | 108.7 | E9 N14 D15 V16 | E9-D12 PolarHBondContact O-N 3.45Å; D12-N14 PolarHBondContact O-N 3.01Å; D12-N14 WeakPolarHBondContact OD1-CB 3.22Å; D12-N14 PolarHBondContact OD1-N 3.31Å; D12-N14 PolarHBondContact OD1-ND2 2.71Å; D12-N14 VanDerWaalsContact OD1-ND2 3.08Å; D12-D15 PolarHBondContact O-N 2.61Å; D12-V16 PolarHBondContact O-N 3.18Å | ||
| 13 | R | 58.6 | Low | 60.1 | Low | 144 Ų | 144 | 73.7 Ų | 73.7 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -53.5 | -26.2 | 179 | -171.5 | 177.4 | 178.9 | 179.8 | 0.4 | 111.8 | G11 R17 V41 | G11-R13 PolarHBondContact O-N 2.91Å; R13-R17 PolarHBondContact O-N 2.97Å; R13-R17 VanDerWaalsContact O-N 3.13Å; R13-V41 PolarHBondContact NH2-O 3.13Å |
| 14 | N | 63.9 | Low | 62 | Low | 102 Ų | 102 | 68.4 Ų | 68.4 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 174.6 | -66.5 | -47 | 0 | 0 | 0 | 112.6 | D12 R17 V18 | D12-N14 PolarHBondContact O-N 3.01Å; D12-N14 WeakPolarHBondContact OD1-CB 3.22Å; D12-N14 PolarHBondContact OD1-N 3.31Å; D12-N14 PolarHBondContact OD1-ND2 2.71Å; D12-N14 VanDerWaalsContact OD1-ND2 3.08Å; N14-R17 PolarHBondContact O-N 3.42Å; N14-V18 WeakPolarHBondContact O-CG2 3.31Å; N14-V18 PolarHBondContact O-N 3.27Å |
| 15 | D | 70.5 | Confident | 63.7 | Low | 22 Ų | 22 | 71 Ų | 71 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | 179.7 | -67.3 | -35.1 | 0 | 0 | 0 | 110.4 | K8 D12 R17 V18 D19 | K8-D15 WeakPolarHBondContact CD-OD2 3.45Å; K8-D15 IonicContact NZ-OD1 3.14Å; K8-D15 PolarHBondContact NZ-OD1 2.89Å; K8-D15 IonicContact NZ-OD2 3.78Å; D12-D15 PolarHBondContact O-N 2.61Å; D15-R17 VanDerWaalsContact C-N 3.29Å; D15-R17 PolarHBondContact O-N 2.65Å; D15-V18 PolarHBondContact O-N 2.91Å; D15-V18 VanDerWaalsContact O-N 3.12Å; D15-D19 PolarHBondContact O-N 2.91Å |
| 16 | V | 73.3 | Confident | 65.6 | Low | 7 Ų | 7 | 72.9 Ų | 72.9 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 174 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | D12 D19 I20 A44 Y53 V55 | D12-V16 PolarHBondContact O-N 3.18Å; V16-D19 PolarHBondContact O-N 2.96Å; V16-I20 HydrophobicContact CG1-CD1 3.85Å; V16-I20 HydrophobicContact CG1-CG1 4.45Å; V16-I20 VanDerWaalsContact O-CG1 3.25Å; V16-I20 WeakPolarHBondContact O-CG1 3.33Å; V16-I20 PolarHBondContact O-N 3.13Å; V16-A44 HydrophobicContact CB-CB 4.39Å; V16-A44 HydrophobicContact CG1-CB 3.94Å; V16-A44 HydrophobicContact CG2-CB 4.41Å; V16-Y53 HydrophobicContact CG2-CD1 3.76Å; V16-Y53 HydrophobicContact CG2-CD2 4.33Å; V16-Y53 HydrophobicContact CG2-CE1 3.74Å; V16-Y53 HydrophobicContact CG2-CE2 4.3Å; V16-Y53 HydrophobicContact CG2-CG 4.07Å; V16-V55 HydrophobicContact CG1-CG1 3.56Å |
| 17 | R | 76.4 | Confident | 67.2 | Low | 101 Ų | 101 | 77.1 Ų | 77.1 | 38% | 0.381 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 177 | -179 | -179.3 | 160.7 | 85.6 | -6.3 | 111.3 | R13 N14 D15 I20 M21 L38 V41 | R13-R17 PolarHBondContact O-N 2.97Å; R13-R17 VanDerWaalsContact O-N 3.13Å; N14-R17 PolarHBondContact O-N 3.42Å; D15-R17 VanDerWaalsContact C-N 3.29Å; D15-R17 PolarHBondContact O-N 2.65Å; R17-I20 PolarHBondContact O-N 2.88Å; R17-M21 HydrophobicContact CG-CE 4.26Å; R17-M21 VanDerWaalsContact O-CG 3.31Å; R17-M21 WeakPolarHBondContact O-CG 3.46Å; R17-M21 PolarHBondContact O-N 3.04Å; R17-L38 HydrophobicContact CG-CD2 3.74Å; R17-V41 HydrophobicContact CB-CG2 4.42Å; R17-V41 HydrophobicContact CG-CG2 4.46Å |
| 18 | V | 77.5 | Confident | 68.9 | Low | 60 Ų | 60 | 80.1 Ų | 80.1 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.5 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | N14 D15 M21 R22 | N14-V18 WeakPolarHBondContact O-CG2 3.31Å; N14-V18 PolarHBondContact O-N 3.27Å; D15-V18 PolarHBondContact O-N 2.91Å; D15-V18 VanDerWaalsContact O-N 3.12Å; V18-M21 WeakPolarHBondContact O-CB 3.44Å; V18-M21 PolarHBondContact O-N 2.97Å; V18-R22 HydrophobicContact CG1-CG 4.42Å; V18-R22 WeakPolarHBondContact O-CB 3.4Å; V18-R22 WeakPolarHBondContact O-CG 3.33Å; V18-R22 PolarHBondContact O-N 3.01Å |
| 19 | D | 78.6 | Confident | 70.8 | Confident | 82 Ų | 82 | 78.8 Ų | 78.8 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 179.2 | -75.7 | -16.4 | 0 | 0 | 0 | 112.5 | D15 V16 M21 R22 Y23 | D15-D19 PolarHBondContact O-N 2.91Å; V16-D19 PolarHBondContact O-N 2.96Å; D19-M21 PolarHBondContact O-N 3.01Å; D19-R22 PolarHBondContact O-N 2.64Å; D19-Y23 WeakPolarHBondContact O-CB 3.35Å; D19-Y23 PolarHBondContact O-N 3.41Å |
| 20 | I | 79.2 | Confident | 72.6 | Confident | 14 Ų | 14 | 77.5 Ų | 77.5 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 173.9 | -65.8 | 164.3 | 0 | 0 | 0 | 110.1 | V16 R17 R22 Y23 V24 L38 V41 V55 F57 | V16-I20 HydrophobicContact CG1-CD1 3.85Å; V16-I20 HydrophobicContact CG1-CG1 4.45Å; V16-I20 VanDerWaalsContact O-CG1 3.25Å; V16-I20 WeakPolarHBondContact O-CG1 3.33Å; V16-I20 PolarHBondContact O-N 3.13Å; R17-I20 PolarHBondContact O-N 2.88Å; I20-R22 PolarHBondContact O-N 3.37Å; I20-Y23 PolarHBondContact O-N 3.31Å; I20-V24 HydrophobicContact CG2-CG2 4.11Å; I20-V24 WeakPolarHBondContact O-CB 3.43Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 3.08Å; I20-L38 HydrophobicContact CB-CD2 3.99Å; I20-L38 HydrophobicContact CG2-CD1 3.8Å; I20-L38 HydrophobicContact CG2-CD2 3.81Å; I20-L38 HydrophobicContact CG2-CG 4.33Å; I20-V41 HydrophobicContact CD1-CG1 4.43Å; I20-V41 HydrophobicContact CD1-CG2 3.92Å; I20-V55 HydrophobicContact CD1-CB 4.33Å; I20-V55 HydrophobicContact CD1-CG1 4.46Å; I20-V55 HydrophobicContact CD1-CG2 4.32Å; I20-F57 HydrophobicContact CD1-CB 4.46Å; I20-F57 HydrophobicContact CD1-CD1 3.91Å; I20-F57 HydrophobicContact CD1-CE1 4.47Å; I20-F57 HydrophobicContact CD1-CG 4.3Å; I20-F57 HydrophobicContact CG1-CD1 4.48Å; I20-F57 HydrophobicContact CG2-CD1 4.36Å; I20-F57 HydrophobicContact CG2-CD2 4.09Å; I20-F57 HydrophobicContact CG2-CE1 4.42Å; I20-F57 HydrophobicContact CG2-CE2 4.15Å; I20-F57 HydrophobicContact CG2-CG 4.2Å; I20-F57 HydrophobicContact CG2-CZ 4.32Å |
| 21 | M | 78.9 | Confident | 74.3 | Confident | 71 Ų | 71 | 77.5 Ų | 77.5 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 177.6 | -76 | -177.9 | 168.2 | 0 | 0 | 112 | R17 V18 D19 Y23 V24 Y25 L38 | R17-M21 HydrophobicContact CG-CE 4.26Å; R17-M21 VanDerWaalsContact O-CG 3.31Å; R17-M21 WeakPolarHBondContact O-CG 3.46Å; R17-M21 PolarHBondContact O-N 3.04Å; V18-M21 WeakPolarHBondContact O-CB 3.44Å; V18-M21 PolarHBondContact O-N 2.97Å; D19-M21 PolarHBondContact O-N 3.01Å; M21-Y23 VanDerWaalsContact C-N 3.32Å; M21-Y23 PolarHBondContact O-N 2.82Å; M21-V24 PolarHBondContact O-N 3.34Å; M21-Y25 VanDerWaalsContact O-CB 3.25Å; M21-Y25 WeakPolarHBondContact O-CB 3.46Å; M21-Y25 PolarHBondContact O-N 2.81Å; M21-L38 HydrophobicContact CE-CB 4.09Å; M21-L38 HydrophobicContact CE-CD2 4.16Å; M21-L38 HydrophobicContact CE-CG 4.49Å; M21-L38 HydrophobicContact CG-CB 3.93Å; M21-L38 HydrophobicContact CG-CD2 3.69Å; M21-L38 HydrophobicContact CG-CG 4.47Å |
| 22 | R | 78.9 | Confident | 76.2 | Confident | 75 Ų | 75 | 82.4 Ų | 82.4 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 176.6 | -75.2 | 174.6 | 176.5 | 178.5 | -4 | 111.2 | V18 D19 I20 Y25 K26 D78 | V18-R22 HydrophobicContact CG1-CG 4.42Å; V18-R22 WeakPolarHBondContact O-CB 3.4Å; V18-R22 WeakPolarHBondContact O-CG 3.33Å; V18-R22 PolarHBondContact O-N 3.01Å; D19-R22 PolarHBondContact O-N 2.64Å; I20-R22 PolarHBondContact O-N 3.37Å; R22-Y25 PolarHBondContact O-N 2.77Å; R22-K26 WeakPolarHBondContact O-CB 3.03Å; R22-K26 PolarHBondContact O-N 3.4Å; R22-D78 IonicContact CZ-OD1 2.75Å; R22-D78 IonicContact NE-OD2 3.81Å; R22-D78 VanDerWaalsContact NH2-CG 3.35Å; R22-D78 IonicContact NH2-OD1 3.97Å; R22-D78 PolarHBondContact NH2-OD1 2.82Å; R22-D78 IonicContact NH2-OD2 3.88Å |
| 23 | Y | 79.2 | Confident | 77.4 | Confident | 127 Ų | 127 | 81.6 Ų | 81.6 | 50% | 0.498 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.2 | -51 | 177.3 | -179.9 | -92.4 | 0 | 0 | 0 | 112 | D19 I20 M21 Y25 K26 R27 I29 | D19-Y23 WeakPolarHBondContact O-CB 3.35Å; D19-Y23 PolarHBondContact O-N 3.41Å; I20-Y23 PolarHBondContact O-N 3.31Å; M21-Y23 VanDerWaalsContact C-N 3.32Å; M21-Y23 PolarHBondContact O-N 2.82Å; Y23-Y25 VanDerWaalsContact C-N 3.26Å; Y23-Y25 PolarHBondContact O-N 3.42Å; Y23-K26 PolarHBondContact O-N 3.12Å; Y23-R27 HydrophobicContact CD1-CG 4.31Å; Y23-R27 HydrophobicContact CD2-CG 4.16Å; Y23-R27 HydrophobicContact CE1-CG 3.97Å; Y23-R27 HydrophobicContact CE2-CG 3.83Å; Y23-R27 HydrophobicContact CG-CG 4.4Å; Y23-R27 VanDerWaalsContact O-CB 3.3Å; Y23-R27 WeakPolarHBondContact O-CB 3.25Å; Y23-R27 WeakPolarHBondContact O-CG 3.24Å; Y23-R27 PolarHBondContact O-N 3.31Å; Y23-I29 HydrophobicContact CD1-CD1 4.16Å; Y23-I29 HydrophobicContact CE1-CD1 3.92Å |
| 24 | V | 77.2 | Confident | 78.6 | Confident | 6 Ų | 6 | 78.3 Ų | 78.3 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.2 | -45.6 | 178.9 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | I20 M21 K28 I29 A36 L59 | I20-V24 HydrophobicContact CG2-CG2 4.11Å; I20-V24 WeakPolarHBondContact O-CB 3.43Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 3.08Å; M21-V24 PolarHBondContact O-N 3.34Å; V24-K28 PolarHBondContact O-N 2.8Å; V24-I29 HydrophobicContact CB-CD1 4.49Å; V24-I29 HydrophobicContact CG1-CB 4.26Å; V24-I29 HydrophobicContact CG2-CD1 4.23Å; V24-I29 PolarHBondContact O-N 3.33Å; V24-A36 HydrophobicContact CG1-CB 3.72Å; V24-A36 WeakPolarHBondContact CG1-O 3.26Å; V24-L59 HydrophobicContact CG1-CD2 4.35Å; V24-L59 HydrophobicContact CG2-CD1 4.07Å; V24-L59 HydrophobicContact CG2-CD2 3.64Å |
| 25 | Y | 76.1 | Confident | 79.6 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.9 | -49.9 | 179.4 | 176.9 | -95.2 | 0 | 0 | 0 | 112.8 | M21 R22 Y23 R27 K28 L72 | M21-Y25 VanDerWaalsContact O-CB 3.25Å; M21-Y25 WeakPolarHBondContact O-CB 3.46Å; M21-Y25 PolarHBondContact O-N 2.81Å; R22-Y25 PolarHBondContact O-N 2.77Å; Y23-Y25 VanDerWaalsContact C-N 3.26Å; Y23-Y25 PolarHBondContact O-N 3.42Å; Y25-R27 VanDerWaalsContact C-N 3.29Å; Y25-R27 PolarHBondContact O-N 2.89Å; Y25-K28 PolarHBondContact O-N 2.87Å; Y25-L72 HydrophobicContact CD1-CD1 4.46Å; Y25-L72 HydrophobicContact CE1-CD1 3.45Å; Y25-L72 VanDerWaalsContact CE1-CD1 3.45Å; Y25-L72 HydrophobicContact CE1-CD2 4.36Å; Y25-L72 HydrophobicContact CE1-CG 4.3Å; Y25-L72 HydrophobicContact CE2-CD1 4Å; Y25-L72 HydrophobicContact CE2-CD2 3.38Å; Y25-L72 HydrophobicContact CE2-CG 4.19Å; Y25-L72 WeakPolarHBondContact OH-CB 3.29Å; Y25-L72 WeakPolarHBondContact OH-CD1 3.49Å; Y25-L72 WeakPolarHBondContact OH-CD2 3.17Å; Y25-L72 WeakPolarHBondContact OH-CG 3.25Å |
| 26 | K | 77 | Confident | 80.4 | Confident | 164 Ų | 164 | 75.2 Ų | 75.2 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.8 | -38.4 | 179.8 | -176.8 | 175.2 | -177.8 | 174.3 | 0 | 111.8 | R22 Y23 K28 | R22-K26 WeakPolarHBondContact O-CB 3.03Å; R22-K26 PolarHBondContact O-N 3.4Å; Y23-K26 PolarHBondContact O-N 3.12Å; K26-K28 PolarHBondContact O-N 3Å |
| 27 | R | 78.6 | Confident | 81 | Confident | 166 Ų | 166 | 80.2 Ų | 80.2 | 63% | 0.626 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2.5 | 177.2 | -67.9 | -64.4 | -174.5 | 177.5 | 0.1 | 113.6 | Y23 Y25 I29 | Y23-R27 HydrophobicContact CD1-CG 4.31Å; Y23-R27 HydrophobicContact CD2-CG 4.16Å; Y23-R27 HydrophobicContact CE1-CG 3.97Å; Y23-R27 HydrophobicContact CE2-CG 3.83Å; Y23-R27 HydrophobicContact CG-CG 4.4Å; Y23-R27 VanDerWaalsContact O-CB 3.3Å; Y23-R27 WeakPolarHBondContact O-CB 3.25Å; Y23-R27 WeakPolarHBondContact O-CG 3.24Å; Y23-R27 PolarHBondContact O-N 3.31Å; Y25-R27 VanDerWaalsContact C-N 3.29Å; Y25-R27 PolarHBondContact O-N 2.89Å; R27-I29 HydrophobicContact CB-CD1 4.29Å; R27-I29 HydrophobicContact CB-CG1 3.76Å; R27-I29 PolarHBondContact O-N 3.29Å |
| 28 | K | 78.8 | Confident | 81.4 | Confident | 117 Ų | 117 | 76 Ų | 76 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 42 | -177.3 | -62.4 | -178.5 | 179.1 | 178 | 0 | 111.3 | V24 Y25 K26 T30 Y35 | V24-K28 PolarHBondContact O-N 2.8Å; Y25-K28 PolarHBondContact O-N 2.87Å; K26-K28 PolarHBondContact O-N 3Å; K28-T30 PolarHBondContact O-N 3.49Å; K28-Y35 HydrophobicContact CB-CE1 4.09Å; K28-Y35 HydrophobicContact CG-CE1 4.34Å |
| 29 | I | 80.6 | Confident | 81.8 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 26% | 0.256 | 36% | 0.355 | S | S | . | . | trans | -61.6 | 139.2 | -178.9 | -57.7 | -175.8 | 0 | 0 | 0 | 108.5 | Y23 V24 R27 A36 L59 | Y23-I29 HydrophobicContact CD1-CD1 4.16Å; Y23-I29 HydrophobicContact CE1-CD1 3.92Å; V24-I29 HydrophobicContact CB-CD1 4.49Å; V24-I29 HydrophobicContact CG1-CB 4.26Å; V24-I29 HydrophobicContact CG2-CD1 4.23Å; V24-I29 PolarHBondContact O-N 3.33Å; R27-I29 HydrophobicContact CB-CD1 4.29Å; R27-I29 HydrophobicContact CB-CG1 3.76Å; R27-I29 PolarHBondContact O-N 3.29Å; I29-A36 HydrophobicContact CB-CB 4.06Å; I29-A36 HydrophobicContact CG2-CB 3.87Å; I29-A36 WeakPolarHBondContact O-CB 3.28Å; I29-A36 PolarHBondContact O-N 2.88Å; I29-L59 HydrophobicContact CD1-CD1 4.43Å; I29-L59 HydrophobicContact CG2-CD1 3.93Å | ||
| 30 | T | 84.7 | Confident | 82 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 44% | 0.436 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 147.1 | 179.1 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | K28 Y34 A66 | K28-T30 PolarHBondContact O-N 3.49Å; T30-Y34 CarbonylContact C-O 3.54Å; T30-Y34 WeakPolarHBondContact CA-O 3.19Å; T30-Y34 VanDerWaalsContact CB-O 3.28Å; T30-Y34 WeakPolarHBondContact CB-O 3.43Å; T30-A66 HydrophobicContact CG2-CB 3.43Å; T30-A66 VanDerWaalsContact CG2-CB 3.43Å |
| 31 | V | 83.1 | Confident | 82.1 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.3 | 169 | 178.9 | 0 | 0 | 0 | 0 | 105.7 | G33 Y34 A36 L59 A61 | V31-G33 PolarHBondContact O-N 3Å; V31-G33 VanDerWaalsContact O-N 3.13Å; V31-Y34 PolarHBondContact N-O 3.49Å; V31-Y34 PolarHBondContact O-N 3.39Å; V31-A36 HydrophobicContact CG2-CB 3.97Å; V31-L59 HydrophobicContact CG2-CB 4.21Å; V31-A61 HydrophobicContact CB-CB 4.39Å; V31-A61 HydrophobicContact CG1-CB 4.39Å |
| 32 | D | 89.2 | Confident | 82.2 | Confident | 142 Ų | 142 | 74.5 Ų | 74.5 | 76% | 0.759 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 35.6 | 179.3 | -55.4 | -33.4 | 0 | 0 | 0 | 115 | Y34 | D32-Y34 VanDerWaalsContact C-N 3.28Å; D32-Y34 VanDerWaalsContact O-CD2 3.24Å; D32-Y34 WeakPolarHBondContact O-CD2 3.37Å; D32-Y34 PolarHBondContact O-N 2.98Å |
| 33 | G | 84.4 | Confident | 82.1 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 45% | 0.454 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 4.1 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | V31 A66 | V31-G33 PolarHBondContact O-N 3Å; V31-G33 VanDerWaalsContact O-N 3.13Å; G33-A66 WeakPolarHBondContact O-CB 3.16Å; G33-A66 PolarHBondContact O-N 3.23Å |
| 34 | Y | 84.4 | Confident | 81.9 | Confident | 75 Ų | 75 | 68.6 Ų | 68.6 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 151.4 | 170.8 | -63.2 | -96.8 | 0 | 0 | 0 | 109.9 | T30 V31 D32 A36 A61 S62 C64 R65 | T30-Y34 CarbonylContact C-O 3.54Å; T30-Y34 WeakPolarHBondContact CA-O 3.19Å; T30-Y34 VanDerWaalsContact CB-O 3.28Å; T30-Y34 WeakPolarHBondContact CB-O 3.43Å; V31-Y34 PolarHBondContact N-O 3.49Å; V31-Y34 PolarHBondContact O-N 3.39Å; D32-Y34 VanDerWaalsContact C-N 3.28Å; D32-Y34 VanDerWaalsContact O-CD2 3.24Å; D32-Y34 WeakPolarHBondContact O-CD2 3.37Å; D32-Y34 PolarHBondContact O-N 2.98Å; Y34-A36 PolarHBondContact O-N 2.83Å; Y34-A61 HydrophobicContact CD2-CB 4.44Å; Y34-A61 HydrophobicContact CG-CB 4.41Å; Y34-S62 WeakPolarHBondContact CB-O 2.91Å; Y34-S62 WeakPolarHBondContact CD1-O 3.16Å; Y34-C64 CarbonylContact C-O 3.56Å; Y34-C64 VanDerWaalsContact CA-O 3.29Å; Y34-C64 WeakPolarHBondContact CA-O 3.44Å; Y34-R65 HydrophobicContact CD1-CG 3.9Å; Y34-R65 HydrophobicContact CE1-CB 4.49Å; Y34-R65 HydrophobicContact CE1-CG 3.43Å; Y34-R65 VanDerWaalsContact CE1-CG 3.43Å |
| 35 | Y | 85.4 | Confident | 81.7 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 136.7 | 171.1 | -74.9 | -69.9 | 0 | 0 | 0 | 109.7 | K28 S62 C64 A66 V70 | K28-Y35 HydrophobicContact CB-CE1 4.09Å; K28-Y35 HydrophobicContact CG-CE1 4.34Å; Y35-S62 WeakPolarHBondContact O-CA 3.39Å; Y35-S62 WeakPolarHBondContact O-CB 3.1Å; Y35-S62 PolarHBondContact O-N 2.99Å; Y35-S62 PolarHBondContact O-OG 3.45Å; Y35-C64 HydrophobicContact CD2-CB 3.87Å; Y35-C64 PolarHBondContact N-O 3.25Å; Y35-A66 PolarHBondContact OH-O 3.22Å; Y35-V70 HydrophobicContact CD2-CG2 3.87Å; Y35-V70 HydrophobicContact CE2-CG2 3.31Å |
| 36 | A | 86 | Confident | 81.3 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 12% | 0.116 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 140.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V24 I29 V31 Y34 L59 E60 | V24-A36 HydrophobicContact CG1-CB 3.72Å; V24-A36 WeakPolarHBondContact CG1-O 3.26Å; I29-A36 HydrophobicContact CB-CB 4.06Å; I29-A36 HydrophobicContact CG2-CB 3.87Å; I29-A36 WeakPolarHBondContact O-CB 3.28Å; I29-A36 PolarHBondContact O-N 2.88Å; V31-A36 HydrophobicContact CG2-CB 3.97Å; Y34-A36 PolarHBondContact O-N 2.83Å; A36-L59 HydrophobicContact CB-CB 4.26Å; A36-L59 HydrophobicContact CB-CD1 4.06Å; A36-E60 CarbonylContact C-O 3.58Å; A36-E60 WeakPolarHBondContact CA-O 3.16Å |
| 37 | R | 86.2 | Confident | 80.8 | Confident | 112 Ų | 112 | 67.8 Ų | 67.8 | 42% | 0.423 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.7 | 166.4 | 64.2 | 175.7 | 177.5 | 91.6 | -2.7 | 109.8 | S39 L59 E60 A61 | R37-S39 PolarHBondContact O-N 2.86Å; R37-L59 WeakPolarHBondContact O-CA 3.23Å; R37-E60 HydrophobicContact CG-CB 4.24Å; R37-E60 WeakPolarHBondContact CG-O 3.38Å; R37-E60 IonicContact CZ-OE2 3.49Å; R37-E60 PolarHBondContact N-O 3.4Å; R37-E60 IonicContact NH1-OE2 3.86Å; R37-E60 PolarHBondContact NH1-OE2 3.34Å; R37-E60 IonicContact NH2-OE2 2.81Å; R37-E60 PolarHBondContact NH2-OE2 2.89Å; R37-E60 PolarHBondContact O-N 2.86Å; R37-A61 PolarHBondContact NE-O 3.47Å |
| 38 | L | 84.6 | Confident | 80.5 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 109.5 | 171 | -178.6 | 61.3 | 0 | 0 | 0 | 109.3 | R17 I20 M21 V41 F57 L59 | R17-L38 HydrophobicContact CG-CD2 3.74Å; I20-L38 HydrophobicContact CB-CD2 3.99Å; I20-L38 HydrophobicContact CG2-CD1 3.8Å; I20-L38 HydrophobicContact CG2-CD2 3.81Å; I20-L38 HydrophobicContact CG2-CG 4.33Å; M21-L38 HydrophobicContact CE-CB 4.09Å; M21-L38 HydrophobicContact CE-CD2 4.16Å; M21-L38 HydrophobicContact CE-CG 4.49Å; M21-L38 HydrophobicContact CG-CB 3.93Å; M21-L38 HydrophobicContact CG-CD2 3.69Å; M21-L38 HydrophobicContact CG-CG 4.47Å; L38-V41 HydrophobicContact CD1-CG2 4.08Å; L38-V41 HydrophobicContact CD2-CG2 3.84Å; L38-V41 HydrophobicContact CG-CG2 4.31Å; L38-F57 HydrophobicContact CD1-CB 3.75Å; L38-F57 HydrophobicContact CD1-CD2 3.96Å; L38-F57 HydrophobicContact CD1-CG 4.15Å; L38-L59 HydrophobicContact CB-CD2 4.4Å; L38-L59 HydrophobicContact CD1-CD2 4.14Å |
| 39 | S | 86.2 | Confident | 80.2 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -53 | 178.3 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | R37 T58 E60 | R37-S39 PolarHBondContact O-N 2.86Å; S39-T58 PolarHBondContact N-O 3.06Å; S39-E60 VanDerWaalsContact CB-CD 3.41Å; S39-E60 WeakPolarHBondContact CB-OE1 3.3Å; S39-E60 PolarHBondContact OG-OE1 2.83Å; S39-E60 PolarHBondContact OG-OE2 3.32Å |
| 40 | N | 84.2 | Confident | 80 | Confident | 75 Ų | 75 | 74.9 Ų | 74.9 | 40% | 0.401 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 152.1 | -176.4 | -165.8 | 10.4 | 0 | 0 | 0 | 111.9 | F57 T58 | N40-F57 CarbonylContact O-C 3.58Å; N40-F57 WeakPolarHBondContact O-CA 3.35Å; N40-F57 VanDerWaalsContact O-CB 3.25Å; N40-F57 WeakPolarHBondContact O-CB 3.2Å; N40-T58 PolarHBondContact O-N 2.97Å |
| 41 | V | 79.6 | Confident | 79.3 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.03 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 101.1 | 165.2 | -179.3 | 0 | 0 | 0 | 0 | 106.2 | R13 R17 I20 L38 F43 A44 E56 F57 | R13-V41 PolarHBondContact NH2-O 3.13Å; R17-V41 HydrophobicContact CB-CG2 4.42Å; R17-V41 HydrophobicContact CG-CG2 4.46Å; I20-V41 HydrophobicContact CD1-CG1 4.43Å; I20-V41 HydrophobicContact CD1-CG2 3.92Å; L38-V41 HydrophobicContact CD1-CG2 4.08Å; L38-V41 HydrophobicContact CD2-CG2 3.84Å; L38-V41 HydrophobicContact CG-CG2 4.31Å; V41-F43 WeakPolarHBondContact CG1-O 3.19Å; V41-A44 HydrophobicContact CG1-CB 4.17Å; V41-E56 CarbonylContact C-O 3.47Å; V41-F57 HydrophobicContact CG2-CB 4.25Å |
| 42 | T | 82 | Confident | 78.6 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 45% | 0.454 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -31.1 | -176.9 | 45.8 | 0 | 0 | 0 | 0 | 111.6 | E56 | T42-E56 PolarHBondContact N-O 2.87Å; T42-E56 WeakPolarHBondContact OG1-CB 3.34Å; T42-E56 PolarHBondContact OG1-O 2.9Å |
| 43 | F | 75.7 | Confident | 77.5 | Confident | 47 Ų | 47 | 76 Ų | 76 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 136.4 | -177.2 | -178.6 | -95.3 | 0 | 0 | 0 | 110.2 | V41 R45 E54 V55 E56 | V41-F43 WeakPolarHBondContact CG1-O 3.19Å; F43-R45 HydrophobicContact CD2-CG 4.31Å; F43-R45 HydrophobicContact CE1-CB 3.9Å; F43-R45 HydrophobicContact CE1-CG 3.96Å; F43-R45 HydrophobicContact CE2-CB 4.42Å; F43-R45 VanDerWaalsContact CE2-CD 3.43Å; F43-R45 HydrophobicContact CE2-CG 3.62Å; F43-R45 VanDerWaalsContact CE2-NE 3.34Å; F43-R45 HydrophobicContact CZ-CB 3.74Å; F43-R45 HydrophobicContact CZ-CG 3.44Å; F43-R45 VanDerWaalsContact CZ-CG 3.44Å; F43-E54 HydrophobicContact CD1-CG 4.43Å; F43-E54 VanDerWaalsContact CD1-O 3.32Å; F43-E54 WeakPolarHBondContact CD1-O 3.49Å; F43-E54 HydrophobicContact CE1-CB 3.92Å; F43-E54 HydrophobicContact CE1-CG 3.75Å; F43-E54 WeakPolarHBondContact CE1-O 3.25Å; F43-V55 CarbonylContact O-C 3.54Å; F43-V55 VanDerWaalsContact O-CA 3.26Å; F43-V55 WeakPolarHBondContact O-CA 3.34Å; F43-E56 HydrophobicContact CB-CB 3.84Å; F43-E56 HydrophobicContact CB-CG 4.01Å; F43-E56 HydrophobicContact CD1-CG 4.43Å; F43-E56 PolarHBondContact N-O 3.15Å; F43-E56 PolarHBondContact O-N 2.84Å |
| 44 | A | 75.1 | Confident | 77 | Confident | 31 Ų | 31 | 79.6 Ų | 79.6 | 26% | 0.256 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 115.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | V16 V41 E54 V55 | V16-A44 HydrophobicContact CB-CB 4.39Å; V16-A44 HydrophobicContact CG1-CB 3.94Å; V16-A44 HydrophobicContact CG2-CB 4.41Å; V41-A44 HydrophobicContact CG1-CB 4.17Å; A44-E54 CarbonylContact C-O 3.52Å; A44-E54 WeakPolarHBondContact CA-O 3.37Å; A44-V55 HydrophobicContact CB-CG1 4.09Å |
| 45 | R | 73.1 | Confident | 76.7 | Confident | 166 Ų | 166 | 78.2 Ų | 78.2 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.3 | 175.8 | -70.3 | -166 | -177.2 | 157.8 | -2.2 | 110.6 | F43 N47 Y53 E54 | F43-R45 HydrophobicContact CD2-CG 4.31Å; F43-R45 HydrophobicContact CE1-CB 3.9Å; F43-R45 HydrophobicContact CE1-CG 3.96Å; F43-R45 HydrophobicContact CE2-CB 4.42Å; F43-R45 VanDerWaalsContact CE2-CD 3.43Å; F43-R45 HydrophobicContact CE2-CG 3.62Å; F43-R45 VanDerWaalsContact CE2-NE 3.34Å; F43-R45 HydrophobicContact CZ-CB 3.74Å; F43-R45 HydrophobicContact CZ-CG 3.44Å; F43-R45 VanDerWaalsContact CZ-CG 3.44Å; R45-N47 PolarHBondContact O-N 3.39Å; R45-Y53 CarbonylContact O-C 3.6Å; R45-Y53 WeakPolarHBondContact O-CA 3.38Å; R45-E54 PolarHBondContact N-O 3.47Å; R45-E54 PolarHBondContact O-N 3.27Å |
| 46 | L | 68.8 | Low | 76.5 | Confident | 47 Ų | 47 | 81.8 Ų | 81.8 | 25% | 0.246 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 114.7 | 170.1 | -175.4 | 68.7 | 0 | 0 | 0 | 109 | V10 L48 S52 Y53 | V10-L46 HydrophobicContact CG1-CD1 4.37Å; V10-L46 HydrophobicContact CG1-CD2 3.87Å; L46-L48 HydrophobicContact CD2-CD2 3.56Å; L46-L48 HydrophobicContact CD2-CG 4.45Å; L46-L48 HydrophobicContact CG-CD2 4.1Å; L46-L48 PolarHBondContact O-N 3.46Å; L46-S52 CarbonylContact C-O 3.54Å; L46-Y53 HydrophobicContact CB-CD1 4.29Å; L46-Y53 HydrophobicContact CB-CE1 3.99Å; L46-Y53 HydrophobicContact CD1-CD1 4.44Å; L46-Y53 HydrophobicContact CD1-CE1 4.17Å; L46-Y53 HydrophobicContact CD1-CE2 4.27Å |
| 47 | N | 65.1 | Low | 76.5 | Confident | 50 Ų | 50 | 85 Ų | 85 | 27% | 0.267 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 101.6 | 164 | 178.7 | -1.6 | 0 | 0 | 0 | 108.5 | R45 R49 D50 I51 S52 | R45-N47 PolarHBondContact O-N 3.39Å; N47-R49 PolarHBondContact O-N 3.49Å; N47-R49 WeakPolarHBondContact OD1-CB 3.36Å; N47-R49 PolarHBondContact OD1-N 3.4Å; N47-D50 PolarHBondContact ND2-OD2 3Å; N47-D50 PolarHBondContact O-N 2.81Å; N47-I51 WeakPolarHBondContact O-CA 3.31Å; N47-I51 PolarHBondContact O-N 2.88Å; N47-S52 PolarHBondContact N-O 2.89Å; N47-S52 PolarHBondContact O-N 3.35Å |
| 48 | L | 72.9 | Confident | 76.4 | Confident | 136 Ų | 136 | 82.9 Ų | 82.9 | 71% | 0.712 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.4 | 179.5 | -69.1 | 173.1 | 0 | 0 | 0 | 113.9 | L46 | L46-L48 HydrophobicContact CD2-CD2 3.56Å; L46-L48 HydrophobicContact CD2-CG 4.45Å; L46-L48 HydrophobicContact CG-CD2 4.1Å; L46-L48 PolarHBondContact O-N 3.46Å |
| 49 | R | 73.5 | Confident | 76.6 | Confident | 229 Ų | 229 | 84.3 Ų | 84.3 | 86% | 0.864 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -39.7 | 178.9 | -65.5 | -176.1 | 174.4 | -173 | -1.1 | 111.3 | N47 | N47-R49 PolarHBondContact O-N 3.49Å; N47-R49 WeakPolarHBondContact OD1-CB 3.36Å; N47-R49 PolarHBondContact OD1-N 3.4Å |
| 50 | D | 75.9 | Confident | 76.6 | Confident | 117 Ų | 117 | 85.6 Ų | 85.6 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 4.1 | -174.5 | -52.8 | -50.5 | 0 | 0 | 0 | 113.2 | N47 S52 | N47-D50 PolarHBondContact ND2-OD2 3Å; N47-D50 PolarHBondContact O-N 2.81Å; D50-S52 VanDerWaalsContact C-N 3.32Å; D50-S52 PolarHBondContact O-N 3.33Å |
| 51 | I | 70.1 | Confident | 76.8 | Confident | 149 Ų | 149 | 83.6 Ų | 83.6 | 76% | 0.764 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 53.8 | -176 | -45.2 | 178.5 | 0 | 0 | 0 | 110.6 | N47 | N47-I51 WeakPolarHBondContact O-CA 3.31Å; N47-I51 PolarHBondContact O-N 2.88Å |
| 52 | S | 67.7 | Low | 77 | Confident | 51 Ų | 51 | 84.3 Ų | 84.3 | 36% | 0.357 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 157.5 | -179.7 | 59.8 | 0 | 0 | 0 | 0 | 111 | L46 N47 D50 | L46-S52 CarbonylContact C-O 3.54Å; N47-S52 PolarHBondContact N-O 2.89Å; N47-S52 PolarHBondContact O-N 3.35Å; D50-S52 VanDerWaalsContact C-N 3.32Å; D50-S52 PolarHBondContact O-N 3.33Å |
| 53 | Y | 67.2 | Low | 77 | Confident | 74 Ų | 74 | 88.5 Ų | 88.5 | 29% | 0.29 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 120.6 | 170 | -73.2 | -81.4 | 0 | 0 | 0 | 110.1 | V10 G11 V16 R45 L46 | V10-Y53 WeakPolarHBondContact CG1-OH 3.48Å; G11-Y53 WeakPolarHBondContact CA-OH 3.25Å; G11-Y53 PolarHBondContact N-OH 3.48Å; V16-Y53 HydrophobicContact CG2-CD1 3.76Å; V16-Y53 HydrophobicContact CG2-CD2 4.33Å; V16-Y53 HydrophobicContact CG2-CE1 3.74Å; V16-Y53 HydrophobicContact CG2-CE2 4.3Å; V16-Y53 HydrophobicContact CG2-CG 4.07Å; R45-Y53 CarbonylContact O-C 3.6Å; R45-Y53 WeakPolarHBondContact O-CA 3.38Å; L46-Y53 HydrophobicContact CB-CD1 4.29Å; L46-Y53 HydrophobicContact CB-CE1 3.99Å; L46-Y53 HydrophobicContact CD1-CD1 4.44Å; L46-Y53 HydrophobicContact CD1-CE1 4.17Å; L46-Y53 HydrophobicContact CD1-CE2 4.27Å |
| 54 | E | 73.8 | Confident | 77.1 | Confident | 120 Ų | 120 | 89.3 Ų | 89.3 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 119.9 | 162.3 | -171.8 | -179.6 | -158.3 | 0 | 0 | 107.6 | F43 A44 R45 | F43-E54 HydrophobicContact CD1-CG 4.43Å; F43-E54 VanDerWaalsContact CD1-O 3.32Å; F43-E54 WeakPolarHBondContact CD1-O 3.49Å; F43-E54 HydrophobicContact CE1-CB 3.92Å; F43-E54 HydrophobicContact CE1-CG 3.75Å; F43-E54 WeakPolarHBondContact CE1-O 3.25Å; A44-E54 CarbonylContact C-O 3.52Å; A44-E54 WeakPolarHBondContact CA-O 3.37Å; R45-E54 PolarHBondContact N-O 3.47Å; R45-E54 PolarHBondContact O-N 3.27Å |
| 55 | V | 78.7 | Confident | 77.4 | Confident | 47 Ų | 47 | 94.5 Ų | 94.5 | 29% | 0.285 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 138.2 | -173.4 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | V16 I20 F43 A44 F57 | V16-V55 HydrophobicContact CG1-CG1 3.56Å; I20-V55 HydrophobicContact CD1-CB 4.33Å; I20-V55 HydrophobicContact CD1-CG1 4.46Å; I20-V55 HydrophobicContact CD1-CG2 4.32Å; F43-V55 CarbonylContact O-C 3.54Å; F43-V55 VanDerWaalsContact O-CA 3.26Å; F43-V55 WeakPolarHBondContact O-CA 3.34Å; A44-V55 HydrophobicContact CB-CG1 4.09Å; V55-F57 HydrophobicContact CB-CD1 4.37Å; V55-F57 HydrophobicContact CG2-CD1 3.89Å; V55-F57 HydrophobicContact CG2-CE1 3.9Å |
| 56 | E | 80.2 | Confident | 77.6 | Confident | 119 Ų | 119 | 88.2 Ų | 88.2 | 56% | 0.556 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.9 | 165.1 | -60.2 | -177.8 | 166 | 0 | 0 | 108.6 | V41 T42 F43 | V41-E56 CarbonylContact C-O 3.47Å; T42-E56 PolarHBondContact N-O 2.87Å; T42-E56 WeakPolarHBondContact OG1-CB 3.34Å; T42-E56 PolarHBondContact OG1-O 2.9Å; F43-E56 HydrophobicContact CB-CB 3.84Å; F43-E56 HydrophobicContact CB-CG 4.01Å; F43-E56 HydrophobicContact CD1-CG 4.43Å; F43-E56 PolarHBondContact N-O 3.15Å; F43-E56 PolarHBondContact O-N 2.84Å |
| 57 | F | 85.6 | Confident | 77.6 | Confident | 83 Ų | 83 | 92.3 Ų | 92.3 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 159.5 | -177.5 | 61.1 | -92.1 | 0 | 0 | 0 | 111.7 | I20 L38 N40 V41 V55 L59 | I20-F57 HydrophobicContact CD1-CB 4.46Å; I20-F57 HydrophobicContact CD1-CD1 3.91Å; I20-F57 HydrophobicContact CD1-CE1 4.47Å; I20-F57 HydrophobicContact CD1-CG 4.3Å; I20-F57 HydrophobicContact CG1-CD1 4.48Å; I20-F57 HydrophobicContact CG2-CD1 4.36Å; I20-F57 HydrophobicContact CG2-CD2 4.09Å; I20-F57 HydrophobicContact CG2-CE1 4.42Å; I20-F57 HydrophobicContact CG2-CE2 4.15Å; I20-F57 HydrophobicContact CG2-CG 4.2Å; I20-F57 HydrophobicContact CG2-CZ 4.32Å; L38-F57 HydrophobicContact CD1-CB 3.75Å; L38-F57 HydrophobicContact CD1-CD2 3.96Å; L38-F57 HydrophobicContact CD1-CG 4.15Å; N40-F57 CarbonylContact O-C 3.58Å; N40-F57 WeakPolarHBondContact O-CA 3.35Å; N40-F57 VanDerWaalsContact O-CB 3.25Å; N40-F57 WeakPolarHBondContact O-CB 3.2Å; V41-F57 HydrophobicContact CG2-CB 4.25Å; V55-F57 HydrophobicContact CB-CD1 4.37Å; V55-F57 HydrophobicContact CG2-CD1 3.89Å; V55-F57 HydrophobicContact CG2-CE1 3.9Å; F57-L59 HydrophobicContact CD2-CD2 3.88Å; F57-L59 HydrophobicContact CD2-CG 4Å; F57-L59 HydrophobicContact CE2-CD1 4.09Å; F57-L59 HydrophobicContact CE2-CD2 3.92Å; F57-L59 HydrophobicContact CE2-CG 3.82Å |
| 58 | T | 84.9 | Confident | 77.1 | Confident | 66 Ų | 66 | 98.8 Ų | 98.8 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.9 | 178.3 | -51 | 0 | 0 | 0 | 0 | 109.6 | S39 N40 E60 | S39-T58 PolarHBondContact N-O 3.06Å; N40-T58 PolarHBondContact O-N 2.97Å; T58-E60 HydrophobicContact CG2-CG 4.48Å |
| 59 | L | 88 | Confident | 76 | Confident | 43 Ų | 43 | 97.7 Ų | 97.7 | 23% | 0.225 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 136.2 | 168.6 | -59.6 | -176.1 | 0 | 0 | 0 | 109.5 | V24 I29 V31 A36 R37 L38 F57 | V24-L59 HydrophobicContact CG1-CD2 4.35Å; V24-L59 HydrophobicContact CG2-CD1 4.07Å; V24-L59 HydrophobicContact CG2-CD2 3.64Å; I29-L59 HydrophobicContact CD1-CD1 4.43Å; I29-L59 HydrophobicContact CG2-CD1 3.93Å; V31-L59 HydrophobicContact CG2-CB 4.21Å; A36-L59 HydrophobicContact CB-CB 4.26Å; A36-L59 HydrophobicContact CB-CD1 4.06Å; R37-L59 WeakPolarHBondContact O-CA 3.23Å; L38-L59 HydrophobicContact CB-CD2 4.4Å; L38-L59 HydrophobicContact CD1-CD2 4.14Å; F57-L59 HydrophobicContact CD2-CD2 3.88Å; F57-L59 HydrophobicContact CD2-CG 4Å; F57-L59 HydrophobicContact CE2-CD1 4.09Å; F57-L59 HydrophobicContact CE2-CD2 3.92Å; F57-L59 HydrophobicContact CE2-CG 3.82Å |
| 60 | E | 87.6 | Confident | 74.8 | Confident | 69 Ų | 69 | 90 Ų | 90 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 159.3 | 173.3 | -72.6 | 172.5 | -158.1 | 0 | 0 | 109.5 | A36 R37 S39 T58 S62 | A36-E60 CarbonylContact C-O 3.58Å; A36-E60 WeakPolarHBondContact CA-O 3.16Å; R37-E60 HydrophobicContact CG-CB 4.24Å; R37-E60 WeakPolarHBondContact CG-O 3.38Å; R37-E60 IonicContact CZ-OE2 3.49Å; R37-E60 PolarHBondContact N-O 3.4Å; R37-E60 IonicContact NH1-OE2 3.86Å; R37-E60 PolarHBondContact NH1-OE2 3.34Å; R37-E60 IonicContact NH2-OE2 2.81Å; R37-E60 PolarHBondContact NH2-OE2 2.89Å; R37-E60 PolarHBondContact O-N 2.86Å; S39-E60 VanDerWaalsContact CB-CD 3.41Å; S39-E60 WeakPolarHBondContact CB-OE1 3.3Å; S39-E60 PolarHBondContact OG-OE1 2.83Å; S39-E60 PolarHBondContact OG-OE2 3.32Å; T58-E60 HydrophobicContact CG2-CG 4.48Å; E60-S62 PolarHBondContact O-N 3.07Å |
| 61 | A | 87.1 | Confident | 73.2 | Confident | 33 Ų | 33 | 95.5 Ų | 95.5 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 130.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V31 Y34 R37 | V31-A61 HydrophobicContact CB-CB 4.39Å; V31-A61 HydrophobicContact CG1-CB 4.39Å; Y34-A61 HydrophobicContact CD2-CB 4.44Å; Y34-A61 HydrophobicContact CG-CB 4.41Å; R37-A61 PolarHBondContact NE-O 3.47Å |
| 62 | S | 84.3 | Confident | 72 | Confident | 20 Ų | 20 | 90.4 Ų | 90.4 | 14% | 0.14 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 178.2 | 163.3 | 74.3 | 0 | 0 | 0 | 0 | 110.4 | Y34 Y35 E60 C64 | Y34-S62 WeakPolarHBondContact CB-O 2.91Å; Y34-S62 WeakPolarHBondContact CD1-O 3.16Å; Y35-S62 WeakPolarHBondContact O-CA 3.39Å; Y35-S62 WeakPolarHBondContact O-CB 3.1Å; Y35-S62 PolarHBondContact O-N 2.99Å; Y35-S62 PolarHBondContact O-OG 3.45Å; E60-S62 PolarHBondContact O-N 3.07Å; S62-C64 PolarHBondContact O-N 3.23Å; S62-C64 PolarHBondContact OG-N 3.22Å; S62-C64 VanDerWaalsContact OG-N 3.15Å |
| 63 | N | 82.4 | Confident | 71 | Confident | 162 Ų | 162 | 96.1 Ų | 96.1 | 87% | 0.866 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 7.1 | 173.8 | -61.2 | -23.9 | 0 | 0 | 0 | 112.9 | ||
| 64 | C | 78 | Confident | 70.1 | Confident | 63 Ų | 63 | 94.1 Ų | 94.1 | 43% | 0.426 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 112.8 | -176.6 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | Y34 Y35 S62 A66 | Y34-C64 CarbonylContact C-O 3.56Å; Y34-C64 VanDerWaalsContact CA-O 3.29Å; Y34-C64 WeakPolarHBondContact CA-O 3.44Å; Y35-C64 HydrophobicContact CD2-CB 3.87Å; Y35-C64 PolarHBondContact N-O 3.25Å; S62-C64 PolarHBondContact O-N 3.23Å; S62-C64 PolarHBondContact OG-N 3.22Å; S62-C64 VanDerWaalsContact OG-N 3.15Å; C64-A66 PolarHBondContact O-N 3.45Å |
| 65 | R | 81.3 | Confident | 69.1 | Low | 141 Ų | 141 | 93.1 Ų | 93.1 | 53% | 0.532 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 135.6 | 173.3 | -72.4 | -172.5 | 176.7 | -176.6 | 0.6 | 110.6 | Y34 N67 R68 | Y34-R65 HydrophobicContact CD1-CG 3.9Å; Y34-R65 HydrophobicContact CE1-CB 4.49Å; Y34-R65 HydrophobicContact CE1-CG 3.43Å; Y34-R65 VanDerWaalsContact CE1-CG 3.43Å; R65-N67 WeakPolarHBondContact CB-OD1 3.09Å; R65-N67 PolarHBondContact O-N 2.99Å; R65-N67 VanDerWaalsContact O-N 3.1Å; R65-R68 PolarHBondContact O-N 3.1Å |
| 66 | A | 76.1 | Confident | 67.9 | Low | 33 Ų | 33 | 93 Ų | 93 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | T30 G33 Y35 C64 R68 | T30-A66 HydrophobicContact CG2-CB 3.43Å; T30-A66 VanDerWaalsContact CG2-CB 3.43Å; G33-A66 WeakPolarHBondContact O-CB 3.16Å; G33-A66 PolarHBondContact O-N 3.23Å; Y35-A66 PolarHBondContact OH-O 3.22Å; C64-A66 PolarHBondContact O-N 3.45Å; A66-R68 VanDerWaalsContact C-N 3.33Å |
| 67 | N | 69.7 | Low | 66.8 | Low | 133 Ų | 133 | 94.5 Ų | 94.5 | 71% | 0.711 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -9.2 | 175.7 | 70 | -7.7 | 0 | 0 | 0 | 113.8 | R65 | R65-N67 WeakPolarHBondContact CB-OD1 3.09Å; R65-N67 PolarHBondContact O-N 2.99Å; R65-N67 VanDerWaalsContact O-N 3.1Å |
| 68 | R | 54.1 | Low | 65.9 | Low | 187 Ų | 187 | 93.9 Ų | 93.9 | 71% | 0.706 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -82.7 | 119.8 | 170.4 | -74.4 | -172.1 | 174.4 | -174.3 | -1 | 108 | R65 A66 V70 | R65-R68 PolarHBondContact O-N 3.1Å; A66-R68 VanDerWaalsContact C-N 3.33Å; R68-V70 PolarHBondContact O-N 2.75Å |
| 69 | S | 49.6 | Very low | 65.2 | Low | 112 Ų | 112 | 91.2 Ų | 91.2 | 78% | 0.783 | 47% | 0.469 | S | S | * | . | trans | -59.2 | 101.3 | 165.9 | 44.8 | 0 | 0 | 0 | 0 | 108.3 | R71 | S69-R71 PolarHBondContact O-N 3.31Å; S69-R71 VanDerWaalsContact O-N 3.16Å | ||
| 70 | V | 47.9 | Very low | 64.6 | Low | 67 Ų | 67 | 93.6 Ų | 93.6 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | trans | -69.3 | 114.9 | 171.9 | -164.7 | 0 | 0 | 0 | 0 | 105.7 | Y35 R68 L72 | Y35-V70 HydrophobicContact CD2-CG2 3.87Å; Y35-V70 HydrophobicContact CE2-CG2 3.31Å; R68-V70 PolarHBondContact O-N 2.75Å; V70-L72 VanDerWaalsContact C-N 3.31Å; V70-L72 HydrophobicContact CB-CD2 3.57Å; V70-L72 HydrophobicContact CG1-CD2 3.43Å; V70-L72 VanDerWaalsContact CG1-CD2 3.43Å; V70-L72 PolarHBondContact O-N 2.89Å | ||
| 71 | R | 42.6 | Very low | 63.9 | Low | 234 Ų | 234 | 93.1 Ų | 93.1 | 88% | 0.883 | 48% | 0.477 | S | S | * | . | trans | -68.3 | 100 | 165.1 | -76.4 | -175.8 | 176.1 | 174.6 | -1 | 106.1 | S69 E73 | S69-R71 PolarHBondContact O-N 3.31Å; S69-R71 VanDerWaalsContact O-N 3.16Å; R71-E73 VanDerWaalsContact C-N 3.33Å; R71-E73 PolarHBondContact O-N 3.34Å; R71-E73 VanDerWaalsContact O-N 3.09Å | ||
| 72 | L | 45.4 | Very low | 63.4 | Low | 42 Ų | 42 | 95.3 Ų | 95.3 | 22% | 0.22 | 48% | 0.484 | C | S | . | . | trans | -77.1 | 91.1 | 175.4 | -56.1 | -175 | 0 | 0 | 0 | 106.5 | Y25 V70 P74 L109 | Y25-L72 HydrophobicContact CD1-CD1 4.46Å; Y25-L72 HydrophobicContact CE1-CD1 3.45Å; Y25-L72 VanDerWaalsContact CE1-CD1 3.45Å; Y25-L72 HydrophobicContact CE1-CD2 4.36Å; Y25-L72 HydrophobicContact CE1-CG 4.3Å; Y25-L72 HydrophobicContact CE2-CD1 4Å; Y25-L72 HydrophobicContact CE2-CD2 3.38Å; Y25-L72 HydrophobicContact CE2-CG 4.19Å; Y25-L72 WeakPolarHBondContact OH-CB 3.29Å; Y25-L72 WeakPolarHBondContact OH-CD1 3.49Å; Y25-L72 WeakPolarHBondContact OH-CD2 3.17Å; Y25-L72 WeakPolarHBondContact OH-CG 3.25Å; V70-L72 VanDerWaalsContact C-N 3.31Å; V70-L72 HydrophobicContact CB-CD2 3.57Å; V70-L72 HydrophobicContact CG1-CD2 3.43Å; V70-L72 VanDerWaalsContact CG1-CD2 3.43Å; V70-L72 PolarHBondContact O-N 2.89Å; L72-P74 VanDerWaalsContact O-CD 3.25Å; L72-P74 WeakPolarHBondContact O-CD 3.36Å; L72-L109 HydrophobicContact CB-CD2 4.1Å; L72-L109 HydrophobicContact CD1-CD2 4.05Å; L72-L109 HydrophobicContact CG-CD2 4.37Å | ||
| 73 | E | 46.6 | Very low | 63.2 | Low | 170 Ų | 170 | 95 Ų | 95 | 79% | 0.794 | 48% | 0.481 | S | S | * | . | trans | -69.9 | 115.6 | 159.7 | -66.7 | -161.5 | 171.8 | 0 | 0 | 105.8 | R71 D75 | R71-E73 VanDerWaalsContact C-N 3.33Å; R71-E73 PolarHBondContact O-N 3.34Å; R71-E73 VanDerWaalsContact O-N 3.09Å; E73-D75 PolarHBondContact O-N 3.12Å; E73-D75 VanDerWaalsContact O-N 3.16Å | ||
| 74 | P | 49 | Very low | 62.9 | Low | 32 Ų | 32 | 91.2 Ų | 91.2 | 21% | 0.208 | 46% | 0.459 | C | S | . | . | trans | -55.8 | 126.2 | 171.5 | 21 | -27.5 | 0 | 0 | 0 | 107.1 | L72 G76 V79 A107 Y116 | L72-P74 VanDerWaalsContact O-CD 3.25Å; L72-P74 WeakPolarHBondContact O-CD 3.36Å; P74-G76 VanDerWaalsContact C-N 3.3Å; P74-G76 PolarHBondContact O-N 2.73Å; P74-V79 HydrophobicContact CB-CG2 3.75Å; P74-V79 HydrophobicContact CG-CG2 4.48Å; P74-A107 HydrophobicContact CG-CB 4.1Å; P74-Y116 HydrophobicContact CB-CD1 4.47Å; P74-Y116 HydrophobicContact CB-CE1 3.74Å; P74-Y116 HydrophobicContact CG-CD1 4.37Å; P74-Y116 HydrophobicContact CG-CE1 3.91Å | ||
| 75 | D | 52.8 | Low | 62.9 | Low | 99 Ų | 99 | 93.4 Ų | 93.4 | 53% | 0.529 | 46% | 0.458 | S | S | . | . | trans | -58.6 | 108 | 159 | -176.5 | -7.5 | 0 | 0 | 0 | 104.5 | E73 K77 D78 | E73-D75 PolarHBondContact O-N 3.12Å; E73-D75 VanDerWaalsContact O-N 3.16Å; D75-K77 PolarHBondContact O-N 2.88Å; D75-K77 WeakPolarHBondContact OD1-CG 3.38Å; D75-K77 PolarHBondContact OD1-N 2.79Å; D75-D78 PolarHBondContact O-N 3.44Å | ||
| 76 | G | 52.7 | Low | 62.9 | Low | 45 Ų | 45 | 93 Ų | 93 | 46% | 0.464 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -55.1 | -16 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P74 R80 | P74-G76 VanDerWaalsContact C-N 3.3Å; P74-G76 PolarHBondContact O-N 2.73Å; G76-R80 WeakPolarHBondContact O-CB 3.46Å; G76-R80 PolarHBondContact O-N 2.88Å |
| 77 | K | 56.4 | Low | 63 | Low | 150 Ų | 150 | 91.8 Ų | 91.8 | 65% | 0.652 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60 | -45 | 170.9 | -66.2 | -179.1 | -178.6 | 178.6 | 0 | 113.3 | D75 R80 V81 | D75-K77 PolarHBondContact O-N 2.88Å; D75-K77 WeakPolarHBondContact OD1-CG 3.38Å; D75-K77 PolarHBondContact OD1-N 2.79Å; K77-R80 PolarHBondContact O-N 2.9Å; K77-V81 WeakPolarHBondContact O-CG2 3.25Å; K77-V81 PolarHBondContact O-N 3.16Å |
| 78 | D | 67.2 | Low | 63.3 | Low | 71 Ų | 71 | 94 Ų | 94 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66 | -46.2 | -176.2 | -86.9 | -14.7 | 0 | 0 | 0 | 111.1 | R22 D75 R80 V81 D82 | R22-D78 IonicContact CZ-OD1 2.75Å; R22-D78 IonicContact NE-OD2 3.81Å; R22-D78 VanDerWaalsContact NH2-CG 3.35Å; R22-D78 IonicContact NH2-OD1 3.97Å; R22-D78 PolarHBondContact NH2-OD1 2.82Å; R22-D78 IonicContact NH2-OD2 3.88Å; D75-D78 PolarHBondContact O-N 3.44Å; D78-R80 VanDerWaalsContact C-N 3.3Å; D78-R80 PolarHBondContact O-N 3.16Å; D78-V81 PolarHBondContact O-N 3.22Å; D78-D82 PolarHBondContact O-N 3.44Å; D78-D82 VanDerWaalsContact O-N 3.11Å |
| 79 | V | 70.5 | Confident | 64.4 | Low | 9 Ų | 9 | 88.4 Ų | 88.4 | 6% | 0.055 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 179 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | P74 V81 D82 I83 A107 V118 | P74-V79 HydrophobicContact CB-CG2 3.75Å; P74-V79 HydrophobicContact CG-CG2 4.48Å; V79-V81 VanDerWaalsContact C-N 3.35Å; V79-V81 PolarHBondContact O-N 3.23Å; V79-D82 PolarHBondContact O-N 3.46Å; V79-I83 HydrophobicContact CG1-CD1 3.69Å; V79-I83 HydrophobicContact CG1-CG1 4.35Å; V79-I83 VanDerWaalsContact O-CG1 3.24Å; V79-I83 WeakPolarHBondContact O-CG1 3.48Å; V79-I83 PolarHBondContact O-N 3.35Å; V79-A107 HydrophobicContact CB-CB 4.46Å; V79-A107 HydrophobicContact CG1-CB 4.02Å; V79-A107 HydrophobicContact CG2-CB 4.23Å; V79-V118 HydrophobicContact CG1-CG1 3.65Å |
| 80 | R | 75.5 | Confident | 66 | Low | 94 Ų | 94 | 88.3 Ų | 88.3 | 36% | 0.355 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 179.2 | -165 | -169.2 | 167.3 | 98.2 | 6 | 111.7 | G76 K77 D78 M84 L101 V104 | G76-R80 WeakPolarHBondContact O-CB 3.46Å; G76-R80 PolarHBondContact O-N 2.88Å; K77-R80 PolarHBondContact O-N 2.9Å; D78-R80 VanDerWaalsContact C-N 3.3Å; D78-R80 PolarHBondContact O-N 3.16Å; R80-M84 HydrophobicContact CB-CE 4.5Å; R80-M84 HydrophobicContact CG-CE 3.52Å; R80-M84 WeakPolarHBondContact O-CG 3.4Å; R80-M84 PolarHBondContact O-N 3.09Å; R80-L101 HydrophobicContact CG-CD2 3.61Å; R80-V104 HydrophobicContact CB-CG2 4.45Å; R80-V104 HydrophobicContact CG-CG2 4.27Å |
| 81 | V | 73.3 | Confident | 67.7 | Low | 58 Ų | 58 | 89.7 Ų | 89.7 | 35% | 0.352 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | K77 D78 V79 I83 M84 R85 | K77-V81 WeakPolarHBondContact O-CG2 3.25Å; K77-V81 PolarHBondContact O-N 3.16Å; D78-V81 PolarHBondContact O-N 3.22Å; V79-V81 VanDerWaalsContact C-N 3.35Å; V79-V81 PolarHBondContact O-N 3.23Å; V81-I83 PolarHBondContact O-N 3.39Å; V81-M84 PolarHBondContact O-N 3.01Å; V81-R85 HydrophobicContact CG1-CG 4.49Å; V81-R85 WeakPolarHBondContact O-CG 3.36Å; V81-R85 PolarHBondContact O-N 3.36Å |
| 82 | D | 76.4 | Confident | 69.7 | Low | 79 Ų | 79 | 80.9 Ų | 80.9 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 180 | -71.9 | -16.2 | 0 | 0 | 0 | 111.9 | D78 V79 R85 Y86 | D78-D82 PolarHBondContact O-N 3.44Å; D78-D82 VanDerWaalsContact O-N 3.11Å; V79-D82 PolarHBondContact O-N 3.46Å; D82-R85 PolarHBondContact O-N 3.05Å; D82-R85 IonicContact OD1-NH1 2.61Å; D82-Y86 WeakPolarHBondContact O-CB 3.5Å; D82-Y86 PolarHBondContact O-N 3.07Å |
| 83 | I | 79.8 | Confident | 71.8 | Confident | 15 Ų | 15 | 82.5 Ų | 82.5 | 8% | 0.077 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 174.7 | -66.5 | 166.3 | 0 | 0 | 0 | 110.9 | V79 V81 R85 Y86 I87 L101 V104 V118 F120 | V79-I83 HydrophobicContact CG1-CD1 3.69Å; V79-I83 HydrophobicContact CG1-CG1 4.35Å; V79-I83 VanDerWaalsContact O-CG1 3.24Å; V79-I83 WeakPolarHBondContact O-CG1 3.48Å; V79-I83 PolarHBondContact O-N 3.35Å; V81-I83 PolarHBondContact O-N 3.39Å; I83-R85 VanDerWaalsContact C-N 3.35Å; I83-R85 PolarHBondContact O-N 3.47Å; I83-Y86 WeakPolarHBondContact O-CB 3.24Å; I83-Y86 PolarHBondContact O-N 3.26Å; I83-I87 HydrophobicContact CG2-CD1 3.7Å; I83-I87 HydrophobicContact CG2-CG1 4.35Å; I83-I87 WeakPolarHBondContact O-CD1 3.27Å; I83-I87 VanDerWaalsContact O-CG1 3.27Å; I83-I87 WeakPolarHBondContact O-CG1 3.45Å; I83-I87 PolarHBondContact O-N 3.11Å; I83-L101 HydrophobicContact CB-CD2 4.06Å; I83-L101 HydrophobicContact CG2-CD1 3.78Å; I83-L101 HydrophobicContact CG2-CD2 3.81Å; I83-L101 HydrophobicContact CG2-CG 4.32Å; I83-V104 HydrophobicContact CD1-CG1 4.33Å; I83-V104 HydrophobicContact CD1-CG2 3.84Å; I83-V118 HydrophobicContact CD1-CB 4.32Å; I83-V118 HydrophobicContact CD1-CG2 4.24Å; I83-F120 HydrophobicContact CD1-CD1 4.04Å; I83-F120 HydrophobicContact CD1-CG 4.47Å; I83-F120 HydrophobicContact CG2-CD1 4.38Å; I83-F120 HydrophobicContact CG2-CD2 4.28Å; I83-F120 HydrophobicContact CG2-CE1 4.42Å; I83-F120 HydrophobicContact CG2-CE2 4.32Å; I83-F120 HydrophobicContact CG2-CG 4.31Å; I83-F120 HydrophobicContact CG2-CZ 4.39Å |
| 84 | M | 76.8 | Confident | 73.8 | Confident | 82 Ų | 82 | 76.1 Ų | 76.1 | 40% | 0.404 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 177.4 | -77.1 | -168.3 | -119.4 | 0 | 0 | 112.4 | R80 V81 Y86 I87 Y88 L101 | R80-M84 HydrophobicContact CB-CE 4.5Å; R80-M84 HydrophobicContact CG-CE 3.52Å; R80-M84 WeakPolarHBondContact O-CG 3.4Å; R80-M84 PolarHBondContact O-N 3.09Å; V81-M84 PolarHBondContact O-N 3.01Å; M84-Y86 VanDerWaalsContact C-N 3.32Å; M84-Y86 PolarHBondContact O-N 3.45Å; M84-I87 PolarHBondContact O-N 3.38Å; M84-Y88 PolarHBondContact O-N 2.96Å; M84-L101 HydrophobicContact CE-CD2 4.39Å; M84-L101 HydrophobicContact CG-CB 3.96Å; M84-L101 HydrophobicContact CG-CD2 3.79Å |
| 85 | R | 77.6 | Confident | 75.7 | Confident | 108 Ų | 108 | 81.6 Ų | 81.6 | 41% | 0.408 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.3 | -73.3 | 171.5 | 176.7 | -178.5 | -9.1 | 111.2 | V81 D82 I83 Y88 S89 | V81-R85 HydrophobicContact CG1-CG 4.49Å; V81-R85 WeakPolarHBondContact O-CG 3.36Å; V81-R85 PolarHBondContact O-N 3.36Å; D82-R85 PolarHBondContact O-N 3.05Å; D82-R85 IonicContact OD1-NH1 2.61Å; I83-R85 VanDerWaalsContact C-N 3.35Å; I83-R85 PolarHBondContact O-N 3.47Å; R85-Y88 PolarHBondContact O-N 2.97Å; R85-S89 WeakPolarHBondContact O-CB 3.47Å; R85-S89 PolarHBondContact O-N 2.87Å; R85-S89 PolarHBondContact O-OG 3.21Å |
| 86 | Y | 80.7 | Confident | 77.3 | Confident | 133 Ų | 133 | 78.8 Ų | 78.8 | 52% | 0.522 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.6 | -51.1 | 176.8 | -179.5 | -101.6 | 0 | 0 | 0 | 111.4 | D82 I83 M84 Y88 S89 Q90 I92 | D82-Y86 WeakPolarHBondContact O-CB 3.5Å; D82-Y86 PolarHBondContact O-N 3.07Å; I83-Y86 WeakPolarHBondContact O-CB 3.24Å; I83-Y86 PolarHBondContact O-N 3.26Å; M84-Y86 VanDerWaalsContact C-N 3.32Å; M84-Y86 PolarHBondContact O-N 3.45Å; Y86-Y88 VanDerWaalsContact C-N 3.31Å; Y86-Y88 PolarHBondContact O-N 3.39Å; Y86-S89 PolarHBondContact O-N 3.3Å; Y86-S89 PolarHBondContact O-OG 2.92Å; Y86-Q90 HydrophobicContact CD1-CG 4.38Å; Y86-Q90 HydrophobicContact CD2-CG 3.89Å; Y86-Q90 HydrophobicContact CE1-CG 4.06Å; Y86-Q90 HydrophobicContact CE2-CG 3.53Å; Y86-Q90 HydrophobicContact CG-CG 4.3Å; Y86-Q90 WeakPolarHBondContact O-CB 3.47Å; Y86-Q90 WeakPolarHBondContact O-CG 3.37Å; Y86-Q90 PolarHBondContact O-N 3.25Å; Y86-I92 HydrophobicContact CD1-CD1 4.14Å; Y86-I92 HydrophobicContact CE1-CD1 3.93Å |
| 87 | I | 78.1 | Confident | 79 | Confident | 8 Ų | 8 | 81.6 Ų | 81.6 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -53.4 | -47.9 | 178.3 | -68.9 | 159.5 | 0 | 0 | 0 | 111.5 | I83 M84 N91 I92 A99 L101 L122 | I83-I87 HydrophobicContact CG2-CD1 3.7Å; I83-I87 HydrophobicContact CG2-CG1 4.35Å; I83-I87 WeakPolarHBondContact O-CD1 3.27Å; I83-I87 VanDerWaalsContact O-CG1 3.27Å; I83-I87 WeakPolarHBondContact O-CG1 3.45Å; I83-I87 PolarHBondContact O-N 3.11Å; M84-I87 PolarHBondContact O-N 3.38Å; I87-N91 PolarHBondContact O-N 3.46Å; I87-I92 HydrophobicContact CB-CD1 4.47Å; I87-I92 HydrophobicContact CG1-CD1 4.19Å; I87-I92 HydrophobicContact CG2-CB 4.29Å; I87-I92 PolarHBondContact O-N 3.02Å; I87-A99 HydrophobicContact CG2-CB 3.91Å; I87-A99 VanDerWaalsContact CG2-O 3.28Å; I87-A99 WeakPolarHBondContact CG2-O 3.44Å; I87-L101 HydrophobicContact CD1-CB 3.77Å; I87-L101 HydrophobicContact CD1-CD1 4.41Å; I87-L122 HydrophobicContact CD1-CD2 3.37Å; I87-L122 HydrophobicContact CG1-CD2 4Å |
| 88 | Y | 76.6 | Confident | 80.4 | Confident | 180 Ų | 180 | 78.7 Ų | 78.7 | 71% | 0.706 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.9 | -47.8 | 179.6 | -175.4 | -97.5 | 0 | 0 | 0 | 111.9 | M84 R85 Y86 Q90 N91 | M84-Y88 PolarHBondContact O-N 2.96Å; R85-Y88 PolarHBondContact O-N 2.97Å; Y86-Y88 VanDerWaalsContact C-N 3.31Å; Y86-Y88 PolarHBondContact O-N 3.39Å; Y88-Q90 VanDerWaalsContact C-N 3.29Å; Y88-Q90 PolarHBondContact O-N 3.21Å; Y88-N91 PolarHBondContact O-N 3.34Å |
| 89 | S | 77.6 | Confident | 81.4 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.5 | -32.8 | -177.7 | 72.3 | 0 | 0 | 0 | 0 | 113.6 | R85 Y86 N91 | R85-S89 WeakPolarHBondContact O-CB 3.47Å; R85-S89 PolarHBondContact O-N 2.87Å; R85-S89 PolarHBondContact O-OG 3.21Å; Y86-S89 PolarHBondContact O-N 3.3Å; Y86-S89 PolarHBondContact O-OG 2.92Å; S89-N91 VanDerWaalsContact C-N 3.31Å |
| 90 | Q | 82 | Confident | 82.2 | Confident | 110 Ų | 110 | 82.8 Ų | 82.8 | 51% | 0.514 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.9 | -178.3 | -62.9 | -51.6 | -68.6 | 0 | 0 | 112.7 | Y86 Y88 I92 | Y86-Q90 HydrophobicContact CD1-CG 4.38Å; Y86-Q90 HydrophobicContact CD2-CG 3.89Å; Y86-Q90 HydrophobicContact CE1-CG 4.06Å; Y86-Q90 HydrophobicContact CE2-CG 3.53Å; Y86-Q90 HydrophobicContact CG-CG 4.3Å; Y86-Q90 WeakPolarHBondContact O-CB 3.47Å; Y86-Q90 WeakPolarHBondContact O-CG 3.37Å; Y86-Q90 PolarHBondContact O-N 3.25Å; Y88-Q90 VanDerWaalsContact C-N 3.29Å; Y88-Q90 PolarHBondContact O-N 3.21Å; Q90-I92 HydrophobicContact CB-CD1 4.27Å; Q90-I92 HydrophobicContact CB-CG1 3.75Å; Q90-I92 PolarHBondContact O-N 3.41Å |
| 91 | N | 83.7 | Confident | 82.7 | Confident | 97 Ų | 97 | 78.6 Ų | 78.6 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 44.2 | -174.3 | -66.9 | -61.4 | 0 | 0 | 0 | 112 | I87 Y88 S89 T93 Y98 | I87-N91 PolarHBondContact O-N 3.46Å; Y88-N91 PolarHBondContact O-N 3.34Å; S89-N91 VanDerWaalsContact C-N 3.31Å; N91-T93 WeakPolarHBondContact O-CG2 3.28Å; N91-T93 PolarHBondContact O-N 3.31Å; N91-Y98 HydrophobicContact CB-CE1 4.16Å |
| 92 | I | 85.9 | Confident | 83.3 | Confident | 48 Ų | 48 | 77.7 Ų | 77.7 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | trans | -65.1 | 138.2 | -178.5 | -54.6 | -174.9 | 0 | 0 | 0 | 108.8 | Y86 I87 Q90 A99 L122 | Y86-I92 HydrophobicContact CD1-CD1 4.14Å; Y86-I92 HydrophobicContact CE1-CD1 3.93Å; I87-I92 HydrophobicContact CB-CD1 4.47Å; I87-I92 HydrophobicContact CG1-CD1 4.19Å; I87-I92 HydrophobicContact CG2-CB 4.29Å; I87-I92 PolarHBondContact O-N 3.02Å; Q90-I92 HydrophobicContact CB-CD1 4.27Å; Q90-I92 HydrophobicContact CB-CG1 3.75Å; Q90-I92 PolarHBondContact O-N 3.41Å; I92-A99 HydrophobicContact CB-CB 4.01Å; I92-A99 HydrophobicContact CG2-CB 3.8Å; I92-A99 WeakPolarHBondContact O-CB 3.42Å; I92-A99 PolarHBondContact O-N 2.98Å; I92-L122 HydrophobicContact CG2-CD1 3.94Å | ||
| 93 | T | 88.5 | Confident | 83.6 | Confident | 76 Ų | 76 | 77.9 Ų | 77.9 | 47% | 0.466 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.6 | -177.5 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | N91 Y97 T129 | N91-T93 WeakPolarHBondContact O-CG2 3.28Å; N91-T93 PolarHBondContact O-N 3.31Å; T93-Y97 CarbonylContact C-O 3.49Å; T93-Y97 WeakPolarHBondContact CA-O 3.27Å; T93-Y97 WeakPolarHBondContact CB-O 3.49Å; T93-T129 HydrophobicContact CG2-CG2 3.36Å |
| 94 | V | 88.8 | Confident | 83.6 | Confident | 37 Ų | 37 | 78.8 Ų | 78.8 | 22% | 0.224 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.6 | 169.6 | 179.2 | 0 | 0 | 0 | 0 | 106.8 | G96 Y97 A99 L122 A124 | V94-G96 VanDerWaalsContact C-N 3.28Å; V94-G96 PolarHBondContact O-N 3.36Å; V94-G96 VanDerWaalsContact O-N 3.16Å; V94-Y97 PolarHBondContact N-O 2.85Å; V94-Y97 PolarHBondContact O-N 2.89Å; V94-A99 HydrophobicContact CG2-CB 3.88Å; V94-L122 HydrophobicContact CG2-CB 4.11Å; V94-A124 HydrophobicContact CB-CB 4.35Å; V94-A124 HydrophobicContact CG1-CB 4.34Å |
| 95 | D | 88.9 | Confident | 83.6 | Confident | 146 Ų | 146 | 78.7 Ų | 78.7 | 78% | 0.781 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 37.5 | 175.9 | -56.4 | -31.3 | 0 | 0 | 0 | 115.5 | Y97 | D95-Y97 VanDerWaalsContact C-N 3.34Å; D95-Y97 VanDerWaalsContact O-CD2 3.25Å; D95-Y97 WeakPolarHBondContact O-CD2 3.37Å |
| 96 | G | 86.9 | Confident | 83.4 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V94 T129 | V94-G96 VanDerWaalsContact C-N 3.28Å; V94-G96 PolarHBondContact O-N 3.36Å; V94-G96 VanDerWaalsContact O-N 3.16Å; G96-T129 PolarHBondContact O-N 2.79Å; G96-T129 PolarHBondContact O-OG1 3.27Å; G96-T129 VanDerWaalsContact O-OG1 3.07Å |
| 97 | Y | 87.5 | Confident | 82.8 | Confident | 104 Ų | 104 | 69.7 Ų | 69.7 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 154.4 | 173.2 | -60.8 | -95.4 | 0 | 0 | 0 | 110.1 | T93 V94 D95 A99 A124 S125 C127 P128 | T93-Y97 CarbonylContact C-O 3.49Å; T93-Y97 WeakPolarHBondContact CA-O 3.27Å; T93-Y97 WeakPolarHBondContact CB-O 3.49Å; V94-Y97 PolarHBondContact N-O 2.85Å; V94-Y97 PolarHBondContact O-N 2.89Å; D95-Y97 VanDerWaalsContact C-N 3.34Å; D95-Y97 VanDerWaalsContact O-CD2 3.25Å; D95-Y97 WeakPolarHBondContact O-CD2 3.37Å; Y97-A99 PolarHBondContact O-N 3.11Å; Y97-A124 HydrophobicContact CD2-CB 4.24Å; Y97-A124 HydrophobicContact CG-CB 4.33Å; Y97-S125 WeakPolarHBondContact CB-O 3.45Å; Y97-S125 WeakPolarHBondContact CD1-O 3.39Å; Y97-C127 CarbonylContact C-O 3.56Å; Y97-C127 VanDerWaalsContact CA-O 3.31Å; Y97-C127 WeakPolarHBondContact CA-O 3.14Å; Y97-P128 HydrophobicContact CD1-CB 4.21Å; Y97-P128 HydrophobicContact CE1-CB 4.12Å |
| 98 | Y | 86.8 | Confident | 82.2 | Confident | 89 Ų | 89 | 78 Ų | 78 | 35% | 0.349 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 138.9 | 170.3 | -75.4 | -74.9 | 0 | 0 | 0 | 110.3 | N91 S125 C127 T129 | N91-Y98 HydrophobicContact CB-CE1 4.16Å; Y98-S125 WeakPolarHBondContact O-CA 3.37Å; Y98-S125 WeakPolarHBondContact O-CB 3.02Å; Y98-S125 PolarHBondContact O-N 3.22Å; Y98-S125 PolarHBondContact O-OG 2.9Å; Y98-C127 HydrophobicContact CD2-CB 3.82Å; Y98-C127 PolarHBondContact N-O 3.39Å; Y98-T129 HydrophobicContact CD2-CG2 4.31Å; Y98-T129 HydrophobicContact CE2-CG2 4.32Å; Y98-T129 HydrophobicContact CG-CG2 4.43Å |
| 99 | A | 88.1 | Confident | 81.3 | Confident | 11 Ų | 11 | 71.7 Ų | 71.7 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 143.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I87 I92 V94 Y97 L122 | I87-A99 HydrophobicContact CG2-CB 3.91Å; I87-A99 VanDerWaalsContact CG2-O 3.28Å; I87-A99 WeakPolarHBondContact CG2-O 3.44Å; I92-A99 HydrophobicContact CB-CB 4.01Å; I92-A99 HydrophobicContact CG2-CB 3.8Å; I92-A99 WeakPolarHBondContact O-CB 3.42Å; I92-A99 PolarHBondContact O-N 2.98Å; V94-A99 HydrophobicContact CG2-CB 3.88Å; Y97-A99 PolarHBondContact O-N 3.11Å; A99-L122 HydrophobicContact CB-CB 4.44Å; A99-L122 HydrophobicContact CB-CD1 4.1Å |
| 100 | R | 87.2 | Confident | 80.3 | Confident | 155 Ų | 155 | 70.2 Ų | 70.2 | 59% | 0.585 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.2 | 171.8 | 165.7 | 179 | 158.2 | 141.6 | -4.7 | 109.1 | S102 L122 E123 | R100-S102 PolarHBondContact O-N 2.65Å; R100-S102 VanDerWaalsContact O-N 3.16Å; R100-L122 WeakPolarHBondContact O-CA 3.31Å; R100-E123 PolarHBondContact N-O 2.9Å; R100-E123 PolarHBondContact O-N 3.16Å |
| 101 | L | 84.8 | Confident | 79 | Confident | 6 Ų | 6 | 71.5 Ų | 71.5 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 111.6 | 169.4 | -177 | 61.3 | 0 | 0 | 0 | 110 | R80 I83 M84 I87 V104 F120 L122 | R80-L101 HydrophobicContact CG-CD2 3.61Å; I83-L101 HydrophobicContact CB-CD2 4.06Å; I83-L101 HydrophobicContact CG2-CD1 3.78Å; I83-L101 HydrophobicContact CG2-CD2 3.81Å; I83-L101 HydrophobicContact CG2-CG 4.32Å; M84-L101 HydrophobicContact CE-CD2 4.39Å; M84-L101 HydrophobicContact CG-CB 3.96Å; M84-L101 HydrophobicContact CG-CD2 3.79Å; I87-L101 HydrophobicContact CD1-CB 3.77Å; I87-L101 HydrophobicContact CD1-CD1 4.41Å; L101-V104 HydrophobicContact CD1-CG2 4.19Å; L101-V104 HydrophobicContact CD2-CG2 3.94Å; L101-V104 HydrophobicContact CG-CG2 4.44Å; L101-F120 HydrophobicContact CD1-CB 3.78Å; L101-F120 HydrophobicContact CD1-CD2 3.93Å; L101-F120 HydrophobicContact CD1-CG 4.11Å; L101-L122 HydrophobicContact CD1-CD2 4.38Å |
| 102 | S | 87 | Confident | 77.7 | Confident | 38 Ų | 38 | 75.6 Ų | 75.6 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -58.2 | 176 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | R100 T121 E123 | R100-S102 PolarHBondContact O-N 2.65Å; R100-S102 VanDerWaalsContact O-N 3.16Å; S102-T121 PolarHBondContact N-O 2.95Å; S102-E123 VanDerWaalsContact CB-CD 3.4Å; S102-E123 VanDerWaalsContact CB-OE1 3.23Å; S102-E123 WeakPolarHBondContact CB-OE1 3.33Å; S102-E123 VanDerWaalsContact OG-CD 3.22Å; S102-E123 PolarHBondContact OG-OE1 2.96Å |
| 103 | N | 83 | Confident | 76.2 | Confident | 83 Ų | 83 | 78.4 Ų | 78.4 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 152.3 | -176.8 | -162.8 | 11.6 | 0 | 0 | 0 | 112.5 | F120 T121 | N103-F120 CarbonylContact O-C 3.59Å; N103-F120 WeakPolarHBondContact O-CA 3.29Å; N103-F120 WeakPolarHBondContact O-CB 3.43Å; N103-T121 PolarHBondContact O-N 3.25Å |
| 104 | V | 78.4 | Confident | 74.7 | Confident | 34 Ų | 34 | 80.5 Ų | 80.5 | 21% | 0.206 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 106.1 | 166.8 | -179.2 | 0 | 0 | 0 | 0 | 106.4 | R80 I83 L101 A107 E119 F120 | R80-V104 HydrophobicContact CB-CG2 4.45Å; R80-V104 HydrophobicContact CG-CG2 4.27Å; I83-V104 HydrophobicContact CD1-CG1 4.33Å; I83-V104 HydrophobicContact CD1-CG2 3.84Å; L101-V104 HydrophobicContact CD1-CG2 4.19Å; L101-V104 HydrophobicContact CD2-CG2 3.94Å; L101-V104 HydrophobicContact CG-CG2 4.44Å; V104-A107 HydrophobicContact CG1-CB 4.49Å; V104-E119 CarbonylContact C-O 3.45Å; V104-F120 HydrophobicContact CG2-CB 4.38Å |
| 105 | T | 78.1 | Confident | 73.2 | Confident | 81 Ų | 81 | 80.8 Ų | 80.8 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -30.3 | -174 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | E119 | T105-E119 PolarHBondContact N-O 2.79Å; T105-E119 VanDerWaalsContact OG1-C 3.3Å; T105-E119 WeakPolarHBondContact OG1-CB 3.4Å; T105-E119 PolarHBondContact OG1-O 3.4Å; T105-E119 VanDerWaalsContact OG1-O 3.08Å |
| 106 | S | 73.8 | Confident | 72.1 | Confident | 23 Ų | 23 | 78.3 Ų | 78.3 | 16% | 0.161 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 147.5 | 173 | 72.5 | 0 | 0 | 0 | 0 | 111.7 | V118 E119 | S106-V118 VanDerWaalsContact O-CA 3.29Å; S106-V118 WeakPolarHBondContact O-CA 3.23Å; S106-E119 PolarHBondContact N-O 3.26Å; S106-E119 PolarHBondContact O-N 2.77Å; S106-E119 VanDerWaalsContact OG-CB 3.31Å; S106-E119 WeakPolarHBondContact OG-CB 3.18Å; S106-E119 WeakPolarHBondContact OG-CG 3.2Å; S106-E119 PolarHBondContact OG-OE2 3.42Å |
| 107 | A | 67.3 | Low | 71.4 | Confident | 28 Ų | 28 | 80.5 Ų | 80.5 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 107.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | P74 V79 V104 V118 | P74-A107 HydrophobicContact CG-CB 4.1Å; V79-A107 HydrophobicContact CB-CB 4.46Å; V79-A107 HydrophobicContact CG1-CB 4.02Å; V79-A107 HydrophobicContact CG2-CB 4.23Å; V104-A107 HydrophobicContact CG1-CB 4.49Å; A107-V118 HydrophobicContact CB-CG1 4.06Å |
| 108 | R | 66.4 | Low | 70.9 | Confident | 184 Ų | 184 | 77.9 Ų | 77.9 | 69% | 0.694 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.7 | -176.7 | -64 | -176.1 | -179 | -178.3 | 3.2 | 109.6 | N110 Y116 D117 | R108-N110 PolarHBondContact O-N 2.78Å; R108-Y116 CarbonylContact O-C 3.54Å; R108-Y116 WeakPolarHBondContact O-CA 3.37Å; R108-D117 PolarHBondContact N-O 2.9Å; R108-D117 PolarHBondContact O-N 3.47Å |
| 109 | L | 55.9 | Low | 70.6 | Confident | 47 Ų | 47 | 79.5 Ų | 79.5 | 25% | 0.246 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 114.6 | 173.9 | -176.7 | 67.2 | 0 | 0 | 0 | 109.6 | L72 L111 Y116 | L72-L109 HydrophobicContact CB-CD2 4.1Å; L72-L109 HydrophobicContact CD1-CD2 4.05Å; L72-L109 HydrophobicContact CG-CD2 4.37Å; L109-L111 HydrophobicContact CD2-CD2 3.7Å; L109-L111 HydrophobicContact CG-CD2 4.12Å; L109-L111 PolarHBondContact O-N 3.22Å; L109-Y116 HydrophobicContact CB-CD1 4.34Å; L109-Y116 HydrophobicContact CB-CE1 4.18Å; L109-Y116 HydrophobicContact CD1-CD1 4.3Å; L109-Y116 HydrophobicContact CD1-CE1 4.06Å |
| 110 | N | 57.5 | Low | 70.5 | Confident | 36 Ų | 36 | 82.6 Ų | 82.6 | 19% | 0.193 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 106.9 | 167.7 | -176 | -23.7 | 0 | 0 | 0 | 108.9 | R108 K112 D113 I114 A115 D117 | R108-N110 PolarHBondContact O-N 2.78Å; N110-K112 VanDerWaalsContact C-N 3.27Å; N110-K112 PolarHBondContact O-N 3.37Å; N110-K112 VanDerWaalsContact OD1-CB 3.29Å; N110-K112 WeakPolarHBondContact OD1-CB 3.34Å; N110-K112 PolarHBondContact OD1-N 2.98Å; N110-D113 PolarHBondContact ND2-OD2 3.4Å; N110-D113 PolarHBondContact OD1-N 3.41Å; N110-I114 VanDerWaalsContact O-CA 3.27Å; N110-I114 WeakPolarHBondContact O-CA 3.31Å; N110-I114 PolarHBondContact O-N 2.98Å; N110-A115 WeakPolarHBondContact CB-O 3.45Å; N110-A115 PolarHBondContact N-O 3.21Å; N110-A115 PolarHBondContact O-N 3.14Å; N110-D117 WeakPolarHBondContact CB-OD2 3.29Å; N110-D117 PolarHBondContact ND2-OD2 2.93Å |
| 111 | L | 53.8 | Low | 70.6 | Confident | 137 Ų | 137 | 78.4 Ų | 78.4 | 72% | 0.717 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20 | -177.7 | -67.6 | 175.3 | 0 | 0 | 0 | 113.6 | L109 | L109-L111 HydrophobicContact CD2-CD2 3.7Å; L109-L111 HydrophobicContact CG-CD2 4.12Å; L109-L111 PolarHBondContact O-N 3.22Å |
| 112 | K | 56.1 | Low | 70.9 | Confident | 183 Ų | 183 | 80.4 Ų | 80.4 | 80% | 0.796 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -44.3 | 179.9 | -170.3 | -175.9 | 176.7 | -170.2 | 0 | 110.5 | N110 | N110-K112 VanDerWaalsContact C-N 3.27Å; N110-K112 PolarHBondContact O-N 3.37Å; N110-K112 VanDerWaalsContact OD1-CB 3.29Å; N110-K112 WeakPolarHBondContact OD1-CB 3.34Å; N110-K112 PolarHBondContact OD1-N 2.98Å |
| 113 | D | 54.3 | Low | 71.1 | Confident | 107 Ų | 107 | 83.1 Ų | 83.1 | 57% | 0.572 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -4.8 | -176.1 | -55.5 | -46.4 | 0 | 0 | 0 | 112.9 | N110 A115 | N110-D113 PolarHBondContact ND2-OD2 3.4Å; N110-D113 PolarHBondContact OD1-N 3.41Å; D113-A115 HydrophobicContact CB-CB 4.4Å; D113-A115 PolarHBondContact O-N 3.01Å |
| 114 | I | 58 | Low | 71.4 | Confident | 121 Ų | 121 | 81.2 Ų | 81.2 | 62% | 0.621 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 46.4 | -175.5 | -43 | 178.2 | 0 | 0 | 0 | 110.2 | N110 | N110-I114 VanDerWaalsContact O-CA 3.27Å; N110-I114 WeakPolarHBondContact O-CA 3.31Å; N110-I114 PolarHBondContact O-N 2.98Å |
| 115 | A | 57.7 | Low | 71.7 | Confident | 43 Ų | 43 | 80.8 Ų | 80.8 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 161.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | N110 D113 | N110-A115 WeakPolarHBondContact CB-O 3.45Å; N110-A115 PolarHBondContact N-O 3.21Å; N110-A115 PolarHBondContact O-N 3.14Å; D113-A115 HydrophobicContact CB-CB 4.4Å; D113-A115 PolarHBondContact O-N 3.01Å |
| 116 | Y | 65 | Low | 72.1 | Confident | 93 Ų | 93 | 83.9 Ų | 83.9 | 37% | 0.365 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.4 | 170.6 | -68.5 | -79 | 0 | 0 | 0 | 109.5 | P74 R108 L109 V118 | P74-Y116 HydrophobicContact CB-CD1 4.47Å; P74-Y116 HydrophobicContact CB-CE1 3.74Å; P74-Y116 HydrophobicContact CG-CD1 4.37Å; P74-Y116 HydrophobicContact CG-CE1 3.91Å; R108-Y116 CarbonylContact O-C 3.54Å; R108-Y116 WeakPolarHBondContact O-CA 3.37Å; L109-Y116 HydrophobicContact CB-CD1 4.34Å; L109-Y116 HydrophobicContact CB-CE1 4.18Å; L109-Y116 HydrophobicContact CD1-CD1 4.3Å; L109-Y116 HydrophobicContact CD1-CE1 4.06Å; Y116-V118 PolarHBondContact O-N 3.21Å |
| 117 | D | 72 | Confident | 72.5 | Confident | 88 Ų | 88 | 85.7 Ų | 85.7 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 110.8 | 162.5 | -65.9 | -24.9 | 0 | 0 | 0 | 106.7 | R108 N110 | R108-D117 PolarHBondContact N-O 2.9Å; R108-D117 PolarHBondContact O-N 3.47Å; N110-D117 WeakPolarHBondContact CB-OD2 3.29Å; N110-D117 PolarHBondContact ND2-OD2 2.93Å |
| 118 | V | 78.3 | Confident | 73.3 | Confident | 48 Ų | 48 | 87.7 Ų | 87.7 | 29% | 0.291 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.2 | -176.8 | -63.2 | 0 | 0 | 0 | 0 | 110.4 | V79 I83 S106 A107 Y116 F120 | V79-V118 HydrophobicContact CG1-CG1 3.65Å; I83-V118 HydrophobicContact CD1-CB 4.32Å; I83-V118 HydrophobicContact CD1-CG2 4.24Å; S106-V118 VanDerWaalsContact O-CA 3.29Å; S106-V118 WeakPolarHBondContact O-CA 3.23Å; A107-V118 HydrophobicContact CB-CG1 4.06Å; Y116-V118 PolarHBondContact O-N 3.21Å; V118-F120 HydrophobicContact CB-CD1 4.45Å; V118-F120 HydrophobicContact CG2-CD1 3.97Å; V118-F120 HydrophobicContact CG2-CE1 3.99Å |
| 119 | E | 79.4 | Confident | 74 | Confident | 123 Ų | 123 | 81.1 Ų | 81.1 | 58% | 0.575 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.8 | 167 | -63.8 | 170.3 | 158.3 | 0 | 0 | 108.1 | V104 T105 S106 | V104-E119 CarbonylContact C-O 3.45Å; T105-E119 PolarHBondContact N-O 2.79Å; T105-E119 VanDerWaalsContact OG1-C 3.3Å; T105-E119 WeakPolarHBondContact OG1-CB 3.4Å; T105-E119 PolarHBondContact OG1-O 3.4Å; T105-E119 VanDerWaalsContact OG1-O 3.08Å; S106-E119 PolarHBondContact N-O 3.26Å; S106-E119 PolarHBondContact O-N 2.77Å; S106-E119 VanDerWaalsContact OG-CB 3.31Å; S106-E119 WeakPolarHBondContact OG-CB 3.18Å; S106-E119 WeakPolarHBondContact OG-CG 3.2Å; S106-E119 PolarHBondContact OG-OE2 3.42Å |
| 120 | F | 87.3 | Confident | 75 | Confident | 77 Ų | 77 | 85.1 Ų | 85.1 | 34% | 0.338 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 163.9 | -177.8 | 59.5 | -92.5 | 0 | 0 | 0 | 111.1 | I83 L101 N103 V104 V118 L122 | I83-F120 HydrophobicContact CD1-CD1 4.04Å; I83-F120 HydrophobicContact CD1-CG 4.47Å; I83-F120 HydrophobicContact CG2-CD1 4.38Å; I83-F120 HydrophobicContact CG2-CD2 4.28Å; I83-F120 HydrophobicContact CG2-CE1 4.42Å; I83-F120 HydrophobicContact CG2-CE2 4.32Å; I83-F120 HydrophobicContact CG2-CG 4.31Å; I83-F120 HydrophobicContact CG2-CZ 4.39Å; L101-F120 HydrophobicContact CD1-CB 3.78Å; L101-F120 HydrophobicContact CD1-CD2 3.93Å; L101-F120 HydrophobicContact CD1-CG 4.11Å; N103-F120 CarbonylContact O-C 3.59Å; N103-F120 WeakPolarHBondContact O-CA 3.29Å; N103-F120 WeakPolarHBondContact O-CB 3.43Å; V104-F120 HydrophobicContact CG2-CB 4.38Å; V118-F120 HydrophobicContact CB-CD1 4.45Å; V118-F120 HydrophobicContact CG2-CD1 3.97Å; V118-F120 HydrophobicContact CG2-CE1 3.99Å; F120-L122 HydrophobicContact CD2-CD2 3.85Å; F120-L122 HydrophobicContact CD2-CG 4.1Å; F120-L122 HydrophobicContact CE2-CD1 4.19Å; F120-L122 HydrophobicContact CE2-CD2 3.79Å; F120-L122 HydrophobicContact CE2-CG 3.9Å |
| 121 | T | 89.1 | Confident | 75 | Confident | 67 Ų | 67 | 94.2 Ų | 94.2 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.2 | 178.5 | -48.9 | 0 | 0 | 0 | 0 | 109.8 | S102 N103 | S102-T121 PolarHBondContact N-O 2.95Å; N103-T121 PolarHBondContact O-N 3.25Å |
| 122 | L | 90.6 | Very high | 74.7 | Confident | 47 Ų | 47 | 91.9 Ų | 91.9 | 25% | 0.246 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 144.5 | 172.5 | -59.1 | -177.8 | 0 | 0 | 0 | 110 | I87 I92 V94 A99 R100 L101 F120 | I87-L122 HydrophobicContact CD1-CD2 3.37Å; I87-L122 HydrophobicContact CG1-CD2 4Å; I92-L122 HydrophobicContact CG2-CD1 3.94Å; V94-L122 HydrophobicContact CG2-CB 4.11Å; A99-L122 HydrophobicContact CB-CB 4.44Å; A99-L122 HydrophobicContact CB-CD1 4.1Å; R100-L122 WeakPolarHBondContact O-CA 3.31Å; L101-L122 HydrophobicContact CD1-CD2 4.38Å; F120-L122 HydrophobicContact CD2-CD2 3.85Å; F120-L122 HydrophobicContact CD2-CG 4.1Å; F120-L122 HydrophobicContact CE2-CD1 4.19Å; F120-L122 HydrophobicContact CE2-CD2 3.79Å; F120-L122 HydrophobicContact CE2-CG 3.9Å |
| 123 | E | 90.3 | Very high | 74.3 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 157.1 | 171.3 | -73.4 | 169.7 | -165.3 | 0 | 0 | 109.3 | R100 S102 S125 | R100-E123 PolarHBondContact N-O 2.9Å; R100-E123 PolarHBondContact O-N 3.16Å; S102-E123 VanDerWaalsContact CB-CD 3.4Å; S102-E123 VanDerWaalsContact CB-OE1 3.23Å; S102-E123 WeakPolarHBondContact CB-OE1 3.33Å; S102-E123 VanDerWaalsContact OG-CD 3.22Å; S102-E123 PolarHBondContact OG-OE1 2.96Å; E123-S125 PolarHBondContact O-N 2.83Å |
| 124 | A | 89.8 | Confident | 73.7 | Confident | 44 Ų | 44 | 93.8 Ų | 93.8 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 129.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V94 Y97 | V94-A124 HydrophobicContact CB-CB 4.35Å; V94-A124 HydrophobicContact CG1-CB 4.34Å; Y97-A124 HydrophobicContact CD2-CB 4.24Å; Y97-A124 HydrophobicContact CG-CB 4.33Å |
| 125 | S | 85.2 | Confident | 72.8 | Confident | 24 Ų | 24 | 96.1 Ų | 96.1 | 17% | 0.168 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 179.5 | 166.5 | 73.3 | 0 | 0 | 0 | 0 | 110.7 | Y97 Y98 E123 C127 | Y97-S125 WeakPolarHBondContact CB-O 3.45Å; Y97-S125 WeakPolarHBondContact CD1-O 3.39Å; Y98-S125 WeakPolarHBondContact O-CA 3.37Å; Y98-S125 WeakPolarHBondContact O-CB 3.02Å; Y98-S125 PolarHBondContact O-N 3.22Å; Y98-S125 PolarHBondContact O-OG 2.9Å; E123-S125 PolarHBondContact O-N 2.83Å; S125-C127 VanDerWaalsContact C-N 3.25Å; S125-C127 PolarHBondContact OG-N 2.8Å; S125-C127 VanDerWaalsContact OG-N 3.11Å |
| 126 | N | 85.3 | Confident | 71.6 | Confident | 146 Ų | 146 | 104.1 Ų | 104.1 | 78% | 0.781 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 8 | 170.6 | 61.8 | -22.6 | 0 | 0 | 0 | 113.4 | P128 | N126-P128 WeakPolarHBondContact O-CD 3.4Å |
| 127 | C | 82.4 | Confident | 70.3 | Confident | 61 Ų | 61 | 104.9 Ų | 104.9 | 41% | 0.412 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 106.8 | -178.6 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | Y97 Y98 S125 | Y97-C127 CarbonylContact C-O 3.56Å; Y97-C127 VanDerWaalsContact CA-O 3.31Å; Y97-C127 WeakPolarHBondContact CA-O 3.14Å; Y98-C127 HydrophobicContact CD2-CB 3.82Å; Y98-C127 PolarHBondContact N-O 3.39Å; S125-C127 VanDerWaalsContact C-N 3.25Å; S125-C127 PolarHBondContact OG-N 2.8Å; S125-C127 VanDerWaalsContact OG-N 3.11Å |
| 128 | P | 85.7 | Confident | 68.7 | Low | 71 Ų | 71 | 108.5 Ų | 108.5 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.6 | 146 | 175.4 | 28.5 | -33.5 | 0 | 0 | 0 | 110.5 | Y97 N126 N130 | Y97-P128 HydrophobicContact CD1-CB 4.21Å; Y97-P128 HydrophobicContact CE1-CB 4.12Å; N126-P128 WeakPolarHBondContact O-CD 3.4Å; P128-N130 VanDerWaalsContact C-N 3.32Å |
| 129 | T | 80.5 | Confident | 66.7 | Low | 46 Ų | 46 | 113 Ų | 113 | 28% | 0.282 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -77 | -26.4 | 177.6 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | T93 G96 Y98 R131 | T93-T129 HydrophobicContact CG2-CG2 3.36Å; G96-T129 PolarHBondContact O-N 2.79Å; G96-T129 PolarHBondContact O-OG1 3.27Å; G96-T129 VanDerWaalsContact O-OG1 3.07Å; Y98-T129 HydrophobicContact CD2-CG2 4.31Å; Y98-T129 HydrophobicContact CE2-CG2 4.32Å; Y98-T129 HydrophobicContact CG-CG2 4.43Å; T129-R131 PolarHBondContact O-N 2.93Å |
| 130 | N | 75.8 | Confident | 64.6 | Low | 130 Ų | 130 | 115.6 Ų | 115.6 | 70% | 0.695 | 60% | 0.596 | S | S | * | * | trans | -81.4 | 97.5 | 173.4 | -63.9 | -5.6 | 0 | 0 | 0 | 107.8 | P128 S132 | P128-N130 VanDerWaalsContact C-N 3.32Å; N130-S132 VanDerWaalsContact C-N 3.29Å; N130-S132 PolarHBondContact O-N 3.02Å | ||
| 131 | R | 57.9 | Low | 61.9 | Low | 228 Ų | 228 | 115.3 Ų | 115.3 | 86% | 0.86 | 61% | 0.614 | S | S | * | * | trans | -65.4 | 99.6 | 155.7 | -69 | -176.2 | -178.3 | 179.5 | 0.7 | 105.6 | T129 E133 | T129-R131 PolarHBondContact O-N 2.93Å; R131-E133 PolarHBondContact O-N 3.45Å; R131-E133 VanDerWaalsContact O-N 3.14Å | ||
| 132 | S | 48 | Very low | 59.4 | Low | 87 Ų | 87 | 116.5 Ų | 116.5 | 61% | 0.608 | 63% | 0.631 | S | S | * | * | trans | -54.9 | 119.5 | 158.1 | 45.6 | 0 | 0 | 0 | 0 | 106.1 | N130 D134 | N130-S132 VanDerWaalsContact C-N 3.29Å; N130-S132 PolarHBondContact O-N 3.02Å; S132-D134 PolarHBondContact O-N 2.83Å | ||
| 133 | E | 48.2 | Very low | 56.8 | Low | 188 Ų | 188 | 122.3 Ų | 122.3 | 88% | 0.879 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -64.9 | 3.6 | 174.8 | -73 | -175.4 | 133.3 | 0 | 0 | 112.5 | R131 | R131-E133 PolarHBondContact O-N 3.45Å; R131-E133 VanDerWaalsContact O-N 3.14Å |
| 134 | D | 42 | Very low | 54.2 | Low | 143 Ų | 143 | 122.6 Ų | 122.6 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | trans | -104.6 | 58.7 | -172.7 | -58.2 | -44.1 | 0 | 0 | 0 | 112.5 | S132 | S132-D134 PolarHBondContact O-N 2.83Š| ||
| 135 | E | 39 | Very low | 51.5 | Low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | trans | -158.2 | 46.3 | 157 | -126.9 | 167.3 | -178.9 | 0 | 0 | 113.5 | P137 | E135-P137 WeakPolarHBondContact O-CD 3.21Š| ||
| 136 | Y | 31.2 | Very low | 49.1 | Very low | 210 Ų | 210 | 133.3 Ų | 133.3 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -100.6 | 99.1 | 145.7 | -85.6 | -88.3 | 0 | 0 | 0 | 107.1 | H138 | Y136-H138 PolarHBondContact O-N 3Š| ||
| 137 | P | 38.3 | Very low | 46.4 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | trans | -62.4 | 97.7 | 163 | 25.7 | -30.2 | 0 | 0 | 0 | 106.3 | E135 T139 | E135-P137 WeakPolarHBondContact O-CD 3.21Å; P137-T139 VanDerWaalsContact C-N 3.33Å; P137-T139 PolarHBondContact O-N 3.07Å | ||
| 138 | H | 39.7 | Very low | 44.2 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -51.5 | 107.3 | 161.4 | -77.7 | -74 | 0 | 0 | 0 | 106.1 | Y136 Q140 | Y136-H138 PolarHBondContact O-N 3Å; H138-Q140 HydrophobicContact CB-CG 4.46Å; H138-Q140 PolarHBondContact O-N 3.33Å | ||
| 139 | T | 35.3 | Very low | 42.4 | Very low | 143 Ų | 143 | 145 Ų | 145 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -60.5 | 83.3 | 167.5 | 43 | 0 | 0 | 0 | 0 | 107.6 | P137 | P137-T139 VanDerWaalsContact C-N 3.33Å; P137-T139 PolarHBondContact O-N 3.07Å | ||
| 140 | Q | 35 | Very low | 40.5 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | -89.2 | 103.8 | 164.6 | -72.4 | -165.8 | -29.4 | 0 | 0 | 106.4 | H138 A142 | H138-Q140 HydrophobicContact CB-CG 4.46Å; H138-Q140 PolarHBondContact O-N 3.33Å; Q140-A142 PolarHBondContact O-N 3.27Å | ||
| 141 | G | 31.8 | Very low | 38.7 | Very low | 71 Ų | 71 | 150.9 Ų | 150.9 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | -56.1 | 132.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 142 | A | 36.5 | Very low | 37.6 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -129.9 | 81.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | Q140 S144 | Q140-A142 PolarHBondContact O-N 3.27Å; A142-S144 PolarHBondContact O-N 2.63Å; A142-S144 VanDerWaalsContact O-N 3.12Å | ||
| 143 | N | 36.1 | Very low | 37 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | trans | -63.2 | 104.6 | 163.2 | -65.3 | -29 | 0 | 0 | 0 | 107.2 | ||||
| 144 | S | 34.2 | Very low | 36.3 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 71% | 0.706 | 83% | 0.831 | S | S | * | * | trans | -153.4 | 76.1 | 158.8 | 59.3 | 0 | 0 | 0 | 0 | 108.6 | A142 P146 | A142-S144 PolarHBondContact O-N 2.63Å; A142-S144 VanDerWaalsContact O-N 3.12Å; S144-P146 WeakPolarHBondContact O-CD 3.25Å | ||
| 145 | E | 33.5 | Very low | 35.9 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -71.6 | 118.1 | 153.8 | -78.2 | 179.6 | 126.2 | 0 | 0 | 107.6 | Y147 | E145-Y147 PolarHBondContact O-N 3.08Š| ||
| 146 | P | 35.6 | Very low | 35.7 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 74% | 0.74 | 84% | 0.839 | S | S | * | * | trans | -79.5 | 106.5 | 160.9 | 11.7 | 5.5 | 0 | 0 | 0 | 107.5 | S144 V148 | S144-P146 WeakPolarHBondContact O-CD 3.25Å; P146-V148 PolarHBondContact O-N 3.16Å | ||
| 147 | Y | 27.6 | Very low | 36.1 | Very low | 219 Ų | 219 | 141.7 Ų | 141.7 | 86% | 0.859 | 84% | 0.84 | S | S | * | * | trans | -52.5 | 117.2 | 158.4 | -113.3 | -104.1 | 0 | 0 | 0 | 108.8 | E145 | E145-Y147 PolarHBondContact O-N 3.08Š| ||
| 148 | V | 37.5 | Very low | 35.9 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 82% | 0.824 | 85% | 0.851 | S | S | * | * | trans | -117.3 | 121.5 | 162.2 | -174.1 | 0 | 0 | 0 | 0 | 106.6 | P146 | P146-V148 PolarHBondContact O-N 3.16Š| ||
| 149 | A | 47.8 | Very low | 35.5 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 100% | 1.388 | 86% | 0.859 | S | S | * | * | trans | -58.8 | 0 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 |
Retrieved 149 of 149 residues in 92.3 ms
(Link to these results)