| 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 | 32.2 | Very low | 36.6 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | 0 | 115.8 | 0 | -175.1 | -177 | -176 | 0 | 0 | 108.4 | I3 S111 | M1-I3 HydrophobicContact CE-CD1 4.5Å; M1-I3 HydrophobicContact CE-CG1 4.08Å; M1-I3 HydrophobicContact CG-CG1 4.21Å; M1-I3 PolarHBondContact O-N 3.28Å; M1-I3 HydrophobicContact SD-CD1 4.5Å; M1-I3 HydrophobicContact SD-CG1 4.22Å; M1-S111 WeakPolarHBondContact CE-OG 3.49Å; M1-S111 PolarHBondContact SD-OG 3.39Å | |||
| 2 | R | 24 | Very low | 38.6 | Very low | 235 Ų | 235 | 132.4 Ų | 132.4 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | trans | -88.3 | 98.3 | 172.7 | -172.5 | -179.4 | -170.5 | 175.2 | 2.2 | 106.3 | S4 | R2-S4 VanDerWaalsContact C-N 3.29Å; R2-S4 PolarHBondContact O-N 2.96Å | ||
| 3 | I | 31 | Very low | 40.6 | Very low | 96 Ų | 96 | 124 Ų | 124 | 49% | 0.492 | 69% | 0.693 | S | S | . | * | trans | -74.2 | 94.8 | 167.3 | -57.8 | 176.8 | 0 | 0 | 0 | 105.3 | M1 L5 | M1-I3 HydrophobicContact CE-CD1 4.5Å; M1-I3 HydrophobicContact CE-CG1 4.08Å; M1-I3 HydrophobicContact CG-CG1 4.21Å; M1-I3 PolarHBondContact O-N 3.28Å; M1-I3 HydrophobicContact SD-CD1 4.5Å; M1-I3 HydrophobicContact SD-CG1 4.22Å; I3-L5 VanDerWaalsContact C-N 3.33Å; I3-L5 HydrophobicContact CG2-CD2 4.06Å; I3-L5 HydrophobicContact CG2-CG 4.03Å; I3-L5 PolarHBondContact O-N 3.04Å; I3-L5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | S | 26.3 | Very low | 43.2 | Very low | 86 Ų | 86 | 121.2 Ų | 121.2 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | trans | -78.4 | 88.6 | 172.9 | -170.3 | 0 | 0 | 0 | 0 | 107.5 | R2 M6 | R2-S4 VanDerWaalsContact C-N 3.29Å; R2-S4 PolarHBondContact O-N 2.96Å; S4-M6 VanDerWaalsContact C-N 3.32Å; S4-M6 PolarHBondContact O-N 3.38Å | ||
| 5 | L | 37.5 | Very low | 45.7 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 76% | 0.764 | 65% | 0.647 | S | S | * | * | trans | -67.5 | 97.3 | 167.6 | -67.6 | 171.5 | 0 | 0 | 0 | 106.9 | I3 S7 | I3-L5 VanDerWaalsContact C-N 3.33Å; I3-L5 HydrophobicContact CG2-CD2 4.06Å; I3-L5 HydrophobicContact CG2-CG 4.03Å; I3-L5 PolarHBondContact O-N 3.04Å; I3-L5 VanDerWaalsContact O-N 3.11Å; L5-S7 PolarHBondContact O-N 3.11Å | ||
| 6 | M | 28.6 | Very low | 47.9 | Very low | 168 Ų | 168 | 114.8 Ų | 114.8 | 83% | 0.828 | 63% | 0.633 | S | S | * | * | trans | -61.3 | 123.7 | 172.2 | -69.9 | 167.6 | 83.5 | 0 | 0 | 107.4 | S4 S8 | S4-M6 VanDerWaalsContact C-N 3.32Å; S4-M6 PolarHBondContact O-N 3.38Å; M6-S8 PolarHBondContact O-N 2.97Å | ||
| 7 | S | 37.9 | Very low | 50.1 | Low | 125 Ų | 125 | 112 Ų | 112 | 87% | 0.874 | 62% | 0.619 | S | S | * | * | trans | -63.4 | 96.9 | 174.8 | 165 | 0 | 0 | 0 | 0 | 108.6 | L5 | L5-S7 PolarHBondContact O-N 3.11Š| ||
| 8 | S | 40.6 | Very low | 52.1 | Low | 92 Ų | 92 | 107.7 Ų | 107.7 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | trans | -101.8 | 112.3 | 158 | 57.8 | 0 | 0 | 0 | 0 | 107.3 | M6 D10 | M6-S8 PolarHBondContact O-N 2.97Å; S8-D10 PolarHBondContact O-N 2.69Å | ||
| 9 | S | 42.7 | Very low | 53.8 | Low | 117 Ų | 117 | 102.4 Ų | 102.4 | 82% | 0.818 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 126.5 | 171.3 | 43.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 10 | D | 47.7 | Very low | 55.4 | Low | 161 Ų | 161 | 100.3 Ų | 100.3 | 86% | 0.861 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.5 | 28.2 | 159.7 | -133.1 | 20.1 | 0 | 0 | 0 | 120.4 | S8 | S8-D10 PolarHBondContact O-N 2.69Š|
| 11 | D | 54.7 | Low | 56.9 | Low | 106 Ų | 106 | 98.5 Ų | 98.5 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | trans | -125.8 | 50.2 | 173.6 | -151.4 | 8.2 | 0 | 0 | 0 | 111.3 | A13 K148 | D11-A13 PolarHBondContact O-N 3.47Å; D11-K148 IonicContact OD1-NZ 2.79Å; D11-K148 PolarHBondContact OD1-NZ 3.1Å; D11-K148 VanDerWaalsContact OD1-NZ 3.1Å; D11-K148 IonicContact OD2-NZ 3.26Å; D11-K148 PolarHBondContact OD2-NZ 2.87Å | ||
| 12 | S | 60.5 | Low | 59.3 | Low | 108 Ų | 108 | 92.9 Ų | 92.9 | 76% | 0.755 | 52% | 0.522 | S | S | * | . | trans | -61.1 | 108.8 | 179.1 | 65.1 | 0 | 0 | 0 | 0 | 109.1 | N14 | S12-N14 PolarHBondContact O-N 3.42Å; S12-N14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | A | 64.4 | Low | 62.2 | Low | 23 Ų | 23 | 84.1 Ų | 84.1 | 19% | 0.19 | 49% | 0.492 | C | S | . | . | trans | -50.1 | 122.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | D11 W15 A144 | D11-A13 PolarHBondContact O-N 3.47Å; A13-W15 VanDerWaalsContact C-N 3.29Å; A13-W15 HydrophobicContact CB-CD2 4.12Å; A13-W15 VanDerWaalsContact CB-CE2 3.48Å; A13-W15 HydrophobicContact CB-CH2 4.01Å; A13-W15 HydrophobicContact CB-CZ2 3.41Å; A13-W15 VanDerWaalsContact CB-CZ2 3.41Å; A13-W15 PolarHBondContact O-N 3.14Å; A13-W15 PolarHBondContact O-NE1 2.87Å; A13-A144 HydrophobicContact CB-CB 4.04Å | ||
| 14 | N | 77.2 | Confident | 64.9 | Low | 85 Ų | 85 | 83.7 Ų | 83.7 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | trans | -85.9 | 74.3 | -175 | -165.7 | -22.4 | 0 | 0 | 0 | 109.9 | S12 D16 V17 F18 | S12-N14 PolarHBondContact O-N 3.42Å; S12-N14 VanDerWaalsContact O-N 3.12Å; N14-D16 PolarHBondContact O-N 3.16Å; N14-V17 HydrophobicContact CB-CB 4.3Å; N14-V17 HydrophobicContact CB-CG2 4.11Å; N14-V17 VanDerWaalsContact CG-CG2 3.42Å; N14-V17 WeakPolarHBondContact ND2-CG2 3.49Å; N14-V17 WeakPolarHBondContact O-CB 3.36Å; N14-V17 PolarHBondContact O-N 3.18Å; N14-V17 PolarHBondContact OD1-N 2.96Å; N14-F18 WeakPolarHBondContact O-CD2 3.23Å; N14-F18 PolarHBondContact O-N 3.05Å | ||
| 15 | W | 80.2 | Confident | 67.7 | Low | 63 Ų | 63 | 82.4 Ų | 82.4 | 24% | 0.239 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -57 | -27.4 | 179.5 | -47.5 | 105.2 | 0 | 0 | 0 | 113.2 | A13 V17 F18 S19 A140 V141 A144 I145 | A13-W15 VanDerWaalsContact C-N 3.29Å; A13-W15 HydrophobicContact CB-CD2 4.12Å; A13-W15 VanDerWaalsContact CB-CE2 3.48Å; A13-W15 HydrophobicContact CB-CH2 4.01Å; A13-W15 HydrophobicContact CB-CZ2 3.41Å; A13-W15 VanDerWaalsContact CB-CZ2 3.41Å; A13-W15 PolarHBondContact O-N 3.14Å; A13-W15 PolarHBondContact O-NE1 2.87Å; W15-V17 VanDerWaalsContact C-N 3.34Å; W15-F18 HydrophobicContact CE3-CD2 4.35Å; W15-F18 PolarHBondContact O-N 3.12Å; W15-S19 VanDerWaalsContact O-CB 3.31Å; W15-S19 WeakPolarHBondContact O-CB 3.45Å; W15-S19 PolarHBondContact O-N 2.7Å; W15-A140 WeakPolarHBondContact CZ3-O 2.96Å; W15-V141 HydrophobicContact CD2-CG2 4.43Å; W15-V141 HydrophobicContact CE3-CB 4.36Å; W15-V141 HydrophobicContact CE3-CG2 4.39Å; W15-V141 WeakPolarHBondContact CH2-O 3.41Å; W15-V141 VanDerWaalsContact CZ3-C 3.45Å; W15-V141 HydrophobicContact CZ3-CB 4.41Å; W15-V141 HydrophobicContact CZ3-CG1 4.44Å; W15-V141 WeakPolarHBondContact CZ3-O 3.36Å; W15-A144 HydrophobicContact CD2-CB 4.13Å; W15-A144 HydrophobicContact CE3-CB 3.25Å; W15-A144 VanDerWaalsContact CH2-C 3.41Å; W15-A144 HydrophobicContact CH2-CB 3.39Å; W15-A144 HydrophobicContact CZ2-CB 4.21Å; W15-A144 VanDerWaalsContact CZ3-C 3.41Å; W15-A144 HydrophobicContact CZ3-CB 2.86Å; W15-I145 HydrophobicContact CH2-CB 4.45Å; W15-I145 HydrophobicContact CH2-CG1 3.7Å; W15-I145 VanDerWaalsContact CH2-N 3.27Å; W15-I145 HydrophobicContact CZ3-CG1 4.36Å; W15-I145 VanDerWaalsContact CZ3-N 3.33Å |
| 16 | D | 81.8 | Confident | 69.8 | Low | 77 Ų | 77 | 78 Ų | 78 | 41% | 0.412 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.5 | -63.1 | -28.8 | 0 | 0 | 0 | 110.5 | N14 S19 S20 | N14-D16 PolarHBondContact O-N 3.16Å; D16-S19 PolarHBondContact O-N 3.46Å; D16-S20 PolarHBondContact O-N 3.36Å |
| 17 | V | 85.5 | Confident | 72.3 | Confident | 67 Ų | 67 | 77.3 Ų | 77.3 | 41% | 0.406 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 172.1 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | N14 W15 S19 S20 D21 | N14-V17 HydrophobicContact CB-CB 4.3Å; N14-V17 HydrophobicContact CB-CG2 4.11Å; N14-V17 VanDerWaalsContact CG-CG2 3.42Å; N14-V17 WeakPolarHBondContact ND2-CG2 3.49Å; N14-V17 WeakPolarHBondContact O-CB 3.36Å; N14-V17 PolarHBondContact O-N 3.18Å; N14-V17 PolarHBondContact OD1-N 2.96Å; W15-V17 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 2.9Å; V17-S20 WeakPolarHBondContact O-CB 3.44Å; V17-S20 PolarHBondContact O-N 3.34Å; V17-S20 VanDerWaalsContact O-N 3.15Å; V17-D21 PolarHBondContact O-N 2.93Å |
| 18 | F | 84.7 | Confident | 74.5 | Confident | 35 Ų | 35 | 78 Ų | 78 | 15% | 0.154 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.5 | -31.9 | 179 | -65.6 | -62.2 | 0 | 0 | 0 | 113.3 | N14 W15 C22 A140 K143 A144 L147 | N14-F18 WeakPolarHBondContact O-CD2 3.23Å; N14-F18 PolarHBondContact O-N 3.05Å; W15-F18 HydrophobicContact CE3-CD2 4.35Å; W15-F18 PolarHBondContact O-N 3.12Å; F18-C22 VanDerWaalsContact O-CB 3.27Å; F18-C22 WeakPolarHBondContact O-CB 3.24Å; F18-C22 PolarHBondContact O-N 3.45Å; F18-A140 HydrophobicContact CB-CB 4.12Å; F18-K143 HydrophobicContact CB-CD 4.18Å; F18-K143 HydrophobicContact CD1-CD 3.55Å; F18-K143 HydrophobicContact CD1-CG 3.83Å; F18-K143 HydrophobicContact CE1-CD 4.37Å; F18-K143 HydrophobicContact CE1-CG 4.38Å; F18-K143 HydrophobicContact CG-CD 4.23Å; F18-K143 HydrophobicContact CG-CG 4.39Å; F18-A144 HydrophobicContact CD2-CB 3.27Å; F18-A144 HydrophobicContact CE1-CB 4.45Å; F18-A144 HydrophobicContact CE2-CB 3.09Å; F18-A144 HydrophobicContact CG-CB 4.07Å; F18-A144 HydrophobicContact CZ-CB 3.71Å; F18-L147 HydrophobicContact CD1-CD1 4.15Å; F18-L147 HydrophobicContact CE1-CD1 3.29Å; F18-L147 HydrophobicContact CZ-CD1 3.76Å |
| 19 | S | 84.2 | Confident | 76.3 | Confident | 7 Ų | 7 | 77.4 Ų | 77.4 | 5% | 0.049 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69.4 | -43.7 | 174.2 | -163.8 | 0 | 0 | 0 | 0 | 111.3 | W15 D16 V17 C22 L23 Q137 | W15-S19 VanDerWaalsContact O-CB 3.31Å; W15-S19 WeakPolarHBondContact O-CB 3.45Å; W15-S19 PolarHBondContact O-N 2.7Å; D16-S19 PolarHBondContact O-N 3.46Å; V17-S19 PolarHBondContact O-N 2.9Å; S19-C22 PolarHBondContact O-N 3.21Å; S19-L23 WeakPolarHBondContact O-CG 3.32Å; S19-L23 PolarHBondContact O-N 3.03Å; S19-Q137 PolarHBondContact OG-OE1 3.5Å |
| 20 | S | 86.1 | Confident | 77.6 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.6 | -49.8 | 173.8 | -166.7 | 0 | 0 | 0 | 0 | 111.2 | D16 V17 C22 L23 D24 | D16-S20 PolarHBondContact O-N 3.36Å; V17-S20 WeakPolarHBondContact O-CB 3.44Å; V17-S20 PolarHBondContact O-N 3.34Å; V17-S20 VanDerWaalsContact O-N 3.15Å; S20-C22 PolarHBondContact O-N 3.14Å; S20-L23 WeakPolarHBondContact O-CB 3.39Å; S20-L23 PolarHBondContact O-N 3.28Å; S20-L23 VanDerWaalsContact O-N 3.1Å; S20-D24 PolarHBondContact O-N 3.41Å |
| 21 | D | 86.8 | Confident | 78.6 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 34% | 0.337 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -56.3 | -41.7 | 177.1 | -69.6 | -7.9 | 0 | 0 | 0 | 111.9 | V17 D24 A25 K143 | V17-D21 PolarHBondContact O-N 2.93Å; D21-D24 PolarHBondContact O-N 3.05Å; D21-A25 VanDerWaalsContact O-CB 3.28Å; D21-A25 WeakPolarHBondContact O-CB 3.33Å; D21-A25 PolarHBondContact O-N 2.81Å; D21-K143 IonicContact OD2-NZ 3.1Å; D21-K143 PolarHBondContact OD2-NZ 3.04Å |
| 22 | C | 83.4 | Confident | 78.8 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 22% | 0.216 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -70.7 | -37.3 | -179.6 | -168.4 | 0 | 0 | 0 | 0 | 111.1 | F18 S19 S20 A25 I26 L136 | F18-C22 VanDerWaalsContact O-CB 3.27Å; F18-C22 WeakPolarHBondContact O-CB 3.24Å; F18-C22 PolarHBondContact O-N 3.45Å; S19-C22 PolarHBondContact O-N 3.21Å; S20-C22 PolarHBondContact O-N 3.14Å; C22-A25 PolarHBondContact O-N 3.13Å; C22-I26 WeakPolarHBondContact O-CB 3.5Å; C22-I26 WeakPolarHBondContact O-CD1 3.46Å; C22-I26 WeakPolarHBondContact O-CG1 3.22Å; C22-I26 PolarHBondContact O-N 3.07Å; C22-L136 HydrophobicContact CB-CD1 3.56Å; C22-L136 VanDerWaalsContact SG-CD1 3.51Å |
| 23 | L | 85.6 | Confident | 79 | Confident | 51 Ų | 51 | 79.1 Ų | 79.1 | 27% | 0.267 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 171.4 | -82.9 | 165.9 | 0 | 0 | 0 | 111.1 | S19 S20 A25 I26 H27 F37 L136 | S19-L23 WeakPolarHBondContact O-CG 3.32Å; S19-L23 PolarHBondContact O-N 3.03Å; S20-L23 WeakPolarHBondContact O-CB 3.39Å; S20-L23 PolarHBondContact O-N 3.28Å; S20-L23 VanDerWaalsContact O-N 3.1Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.23Å; L23-I26 PolarHBondContact O-N 3.49Å; L23-H27 WeakPolarHBondContact O-CB 3.37Å; L23-H27 PolarHBondContact O-N 3.06Å; L23-F37 HydrophobicContact CD2-CB 3.42Å; L23-F37 VanDerWaalsContact CD2-CB 3.42Å; L23-F37 HydrophobicContact CD2-CG 4.38Å; L23-L136 HydrophobicContact CD1-CD2 3.79Å; L23-L136 HydrophobicContact CD2-CD2 3.38Å; L23-L136 HydrophobicContact CG-CD1 4.19Å; L23-L136 HydrophobicContact CG-CD2 3.34Å; L23-L136 HydrophobicContact CG-CG 4.37Å |
| 24 | D | 86.7 | Confident | 79.3 | Confident | 87 Ų | 87 | 85.3 Ų | 85.3 | 47% | 0.465 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 179.8 | -66.9 | -25.3 | 0 | 0 | 0 | 110.9 | S20 D21 I26 H27 N28 | S20-D24 PolarHBondContact O-N 3.41Å; D21-D24 PolarHBondContact O-N 3.05Å; D24-I26 PolarHBondContact O-N 3.38Å; D24-H27 PolarHBondContact O-N 3.22Å; D24-N28 WeakPolarHBondContact O-CB 3.46Å; D24-N28 PolarHBondContact O-N 3.24Å; D24-N28 PolarHBondContact O-ND2 3.02Å |
| 25 | A | 84.4 | Confident | 79.1 | Confident | 59 Ų | 59 | 87.1 Ų | 87.1 | 49% | 0.488 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D21 C22 L23 A29 | D21-A25 VanDerWaalsContact O-CB 3.28Å; D21-A25 WeakPolarHBondContact O-CB 3.33Å; D21-A25 PolarHBondContact O-N 2.81Å; C22-A25 PolarHBondContact O-N 3.13Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.23Å; A25-A29 VanDerWaalsContact O-CB 3.24Å; A25-A29 WeakPolarHBondContact O-CB 3.49Å; A25-A29 PolarHBondContact O-N 3.31Å |
| 26 | I | 82.1 | Confident | 79.1 | Confident | 52 Ų | 52 | 87.6 Ų | 87.6 | 27% | 0.267 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 176.2 | -70.5 | 166.2 | 0 | 0 | 0 | 110.2 | C22 L23 D24 N28 A29 A30 F37 L136 | C22-I26 WeakPolarHBondContact O-CB 3.5Å; C22-I26 WeakPolarHBondContact O-CD1 3.46Å; C22-I26 WeakPolarHBondContact O-CG1 3.22Å; C22-I26 PolarHBondContact O-N 3.07Å; L23-I26 PolarHBondContact O-N 3.49Å; D24-I26 PolarHBondContact O-N 3.38Å; I26-N28 VanDerWaalsContact C-N 3.3Å; I26-N28 PolarHBondContact O-N 3.02Å; I26-A29 CarbonylContact O-C 3.59Å; I26-A29 PolarHBondContact O-N 3.19Å; I26-A29 VanDerWaalsContact O-N 3.17Å; I26-A30 HydrophobicContact CG2-CB 4.5Å; I26-A30 WeakPolarHBondContact O-CA 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.43Å; I26-A30 PolarHBondContact O-N 3.26Å; I26-F37 HydrophobicContact CD1-CD1 4.49Å; I26-F37 HydrophobicContact CD1-CE1 4.22Å; I26-F37 HydrophobicContact CD1-CE2 4.33Å; I26-F37 HydrophobicContact CD1-CZ 4.13Å; I26-F37 HydrophobicContact CG2-CD2 3.94Å; I26-F37 HydrophobicContact CG2-CE2 3.63Å; I26-F37 HydrophobicContact CG2-CZ 4.34Å; I26-L136 HydrophobicContact CD1-CD1 4.14Å |
| 27 | H | 81.6 | Confident | 79.2 | Confident | 155 Ų | 155 | 86.2 Ų | 86.2 | 72% | 0.718 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | -178.6 | -160.5 | 82.2 | 0 | 0 | 0 | 111.9 | L23 D24 | L23-H27 WeakPolarHBondContact O-CB 3.37Å; L23-H27 PolarHBondContact O-N 3.06Å; D24-H27 PolarHBondContact O-N 3.22Å |
| 28 | N | 83.1 | Confident | 79.2 | Confident | 139 Ų | 139 | 88.5 Ų | 88.5 | 74% | 0.743 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -72.2 | -31 | 176.3 | -69.6 | -38.6 | 0 | 0 | 0 | 113 | D24 I26 | D24-N28 WeakPolarHBondContact O-CB 3.46Å; D24-N28 PolarHBondContact O-N 3.24Å; D24-N28 PolarHBondContact O-ND2 3.02Å; I26-N28 VanDerWaalsContact C-N 3.3Å; I26-N28 PolarHBondContact O-N 3.02Å |
| 29 | A | 78.8 | Confident | 79.1 | Confident | 80 Ų | 80 | 91.3 Ų | 91.3 | 66% | 0.661 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -87.1 | -27.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A25 I26 K31 | A25-A29 VanDerWaalsContact O-CB 3.24Å; A25-A29 WeakPolarHBondContact O-CB 3.49Å; A25-A29 PolarHBondContact O-N 3.31Å; I26-A29 CarbonylContact O-C 3.59Å; I26-A29 PolarHBondContact O-N 3.19Å; I26-A29 VanDerWaalsContact O-N 3.17Å; A29-K31 PolarHBondContact O-N 2.98Å; A29-K31 VanDerWaalsContact O-N 3.16Å |
| 30 | A | 69.7 | Low | 78.9 | Confident | 52 Ų | 52 | 92.3 Ų | 92.3 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | trans | -71.4 | 109.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I26 D32 | I26-A30 HydrophobicContact CG2-CB 4.5Å; I26-A30 WeakPolarHBondContact O-CA 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.43Å; I26-A30 PolarHBondContact O-N 3.26Å; A30-D32 VanDerWaalsContact C-N 3.32Å | ||
| 31 | K | 68.2 | Low | 78.4 | Confident | 201 Ų | 201 | 94.6 Ų | 94.6 | 87% | 0.874 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -80.6 | -20.7 | 161.1 | -65 | -177.9 | -179.1 | 178.1 | 0 | 111.6 | A29 | A29-K31 PolarHBondContact O-N 2.98Å; A29-K31 VanDerWaalsContact O-N 3.16Å |
| 32 | D | 59.4 | Low | 77.6 | Confident | 131 Ų | 131 | 96.6 Ų | 96.6 | 70% | 0.701 | 53% | 0.534 | S | S | * | . | trans | -111.9 | 132.8 | -172.9 | -65.4 | -37 | 0 | 0 | 0 | 111.4 | A30 E34 | A30-D32 VanDerWaalsContact C-N 3.32Å; D32-E34 VanDerWaalsContact C-N 3.34Å | ||
| 33 | T | 64.6 | Low | 76.5 | Confident | 144 Ų | 144 | 100.6 Ų | 100.6 | 88% | 0.883 | 55% | 0.554 | S | S | * | * | trans | -93.8 | 19.3 | -178 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | F35 | T33-F35 VanDerWaalsContact C-N 3.27Å; T33-F35 PolarHBondContact O-N 3.03Å | ||
| 34 | E | 71.4 | Confident | 74.8 | Confident | 153 Ų | 153 | 103.5 Ų | 103.5 | 72% | 0.715 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -64.7 | -29 | -170.7 | -167.7 | 178.8 | -179.2 | 0 | 0 | 113.2 | D32 | D32-E34 VanDerWaalsContact C-N 3.34Š|
| 35 | F | 72.9 | Confident | 72.7 | Confident | 123 Ų | 123 | 105.7 Ų | 105.7 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | trans | -125.1 | 129 | -175.8 | -58 | -73.4 | 0 | 0 | 0 | 112.1 | T33 F37 P132 | T33-F35 VanDerWaalsContact C-N 3.27Å; T33-F35 PolarHBondContact O-N 3.03Å; F35-F37 HydrophobicContact CB-CE2 4.15Å; F35-F37 HydrophobicContact CB-CZ 4.45Å; F35-P132 HydrophobicContact CB-CB 4.23Å; F35-P132 HydrophobicContact CB-CG 4.09Å; F35-P132 HydrophobicContact CD1-CG 4Å; F35-P132 HydrophobicContact CG-CG 4.43Å | ||
| 36 | S | 80.6 | Confident | 70.8 | Confident | 73 Ų | 73 | 106.6 Ų | 106.6 | 51% | 0.51 | 60% | 0.6 | S | S | . | * | trans | -91.5 | 120.1 | 167.4 | -167.7 | 0 | 0 | 0 | 0 | 109.7 | N38 P132 | S36-N38 VanDerWaalsContact C-N 3.28Å; S36-N38 PolarHBondContact OG-N 3.18Å; S36-N38 PolarHBondContact OG-ND2 3.23Å; S36-P132 WeakPolarHBondContact O-CB 3.41Å | ||
| 37 | F | 83.7 | Confident | 69.1 | Low | 48 Ų | 48 | 111.2 Ų | 111.2 | 21% | 0.211 | 62% | 0.621 | C | S | . | * | trans | -88.7 | 4.1 | 173.2 | -67.7 | -85.4 | 0 | 0 | 0 | 112.9 | L23 I26 F35 P132 Y133 L136 | L23-F37 HydrophobicContact CD2-CB 3.42Å; L23-F37 VanDerWaalsContact CD2-CB 3.42Å; L23-F37 HydrophobicContact CD2-CG 4.38Å; I26-F37 HydrophobicContact CD1-CD1 4.49Å; I26-F37 HydrophobicContact CD1-CE1 4.22Å; I26-F37 HydrophobicContact CD1-CE2 4.33Å; I26-F37 HydrophobicContact CD1-CZ 4.13Å; I26-F37 HydrophobicContact CG2-CD2 3.94Å; I26-F37 HydrophobicContact CG2-CE2 3.63Å; I26-F37 HydrophobicContact CG2-CZ 4.34Å; F35-F37 HydrophobicContact CB-CE2 4.15Å; F35-F37 HydrophobicContact CB-CZ 4.45Å; F37-P132 HydrophobicContact CD1-CB 3.74Å; F37-P132 WeakPolarHBondContact CD1-O 3.45Å; F37-P132 HydrophobicContact CE1-CB 3.82Å; F37-P132 HydrophobicContact CG-CB 4.24Å; F37-P132 HydrophobicContact CZ-CB 4.38Å; F37-Y133 WeakPolarHBondContact O-CD2 3.33Å; F37-L136 HydrophobicContact CB-CD2 3.98Å; F37-L136 HydrophobicContact CD1-CB 3.8Å; F37-L136 HydrophobicContact CD1-CD2 4.46Å; F37-L136 HydrophobicContact CE1-CB 4.44Å | ||
| 38 | N | 84.2 | Confident | 67 | Low | 114 Ų | 114 | 112.4 Ų | 112.4 | 61% | 0.61 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -68.5 | 147.1 | 173.7 | -66.8 | -33.7 | 0 | 0 | 0 | 109.7 | S36 P40 | S36-N38 VanDerWaalsContact C-N 3.28Å; S36-N38 PolarHBondContact OG-N 3.18Å; S36-N38 PolarHBondContact OG-ND2 3.23Å; N38-P40 VanDerWaalsContact O-CD 3.23Å; N38-P40 WeakPolarHBondContact O-CD 2.9Å |
| 39 | R | 83 | Confident | 64.8 | Low | 94 Ų | 94 | 111.4 Ų | 111.4 | 36% | 0.355 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 120.4 | 174.1 | -176.2 | -178.8 | -177.3 | 133.9 | -14.8 | 109.7 | S58 W130 Y133 | R39-S58 PolarHBondContact NH1-O 3.34Å; R39-S58 PolarHBondContact NH2-O 3.44Å; R39-W130 HydrophobicContact CG-CH2 3.86Å; R39-W130 HydrophobicContact CG-CZ3 3.99Å; R39-Y133 HydrophobicContact CB-CD1 4.48Å; R39-Y133 HydrophobicContact CB-CD2 4.02Å; R39-Y133 HydrophobicContact CB-CE1 4.22Å; R39-Y133 HydrophobicContact CB-CE2 3.75Å; R39-Y133 HydrophobicContact CB-CG 4.37Å; R39-Y133 HydrophobicContact CG-CD1 4.36Å; R39-Y133 HydrophobicContact CG-CE1 3.94Å; R39-Y133 HydrophobicContact CG-CE2 4.34Å |
| 40 | P | 80.4 | Confident | 63.1 | Low | 28 Ų | 28 | 111.9 Ų | 111.9 | 18% | 0.182 | 63% | 0.632 | C | S | . | * | P | Polyproline II helix | trans | -70.4 | 159.2 | 176.9 | -16.2 | 30.5 | 0 | 0 | 0 | 111.6 | N38 D129 W130 | N38-P40 VanDerWaalsContact O-CD 3.23Å; N38-P40 WeakPolarHBondContact O-CD 2.9Å; P40-D129 HydrophobicContact CB-CB 4.41Å; P40-D129 HydrophobicContact CG-CB 4.27Å; P40-D129 WeakPolarHBondContact CG-O 3.2Å; P40-W130 HydrophobicContact CB-CD2 4.25Å; P40-W130 HydrophobicContact CB-CG 4.35Å; P40-W130 HydrophobicContact CB-CZ2 4.26Å; P40-W130 HydrophobicContact CG-CB 4.41Å; P40-W130 HydrophobicContact CG-CD2 3.85Å; P40-W130 HydrophobicContact CG-CE3 4.41Å; P40-W130 HydrophobicContact CG-CG 3.84Å; P40-W130 WeakPolarHBondContact O-CH2 3.48Å; P40-W130 WeakPolarHBondContact O-CZ2 3.28Å |
| 41 | S | 76.7 | Confident | 61.7 | Low | 108 Ų | 108 | 119.9 Ų | 119.9 | 76% | 0.755 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 143 | 168.1 | -62.4 | 0 | 0 | 0 | 0 | 110 | N43 | S41-N43 PolarHBondContact O-N 3.05Å; S41-N43 VanDerWaalsContact O-N 3.12Å |
| 42 | V | 68.3 | Low | 60.2 | Low | 104 Ų | 104 | 115.8 Ų | 115.8 | 63% | 0.63 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 117 | 169.4 | -178.8 | 0 | 0 | 0 | 0 | 106.7 | V44 W130 | V42-V44 WeakPolarHBondContact O-CG2 3.4Å; V42-V44 PolarHBondContact O-N 2.99Å; V42-W130 HydrophobicContact CG2-CZ2 4.4Å |
| 43 | N | 60.4 | Low | 59.3 | Low | 117 Ų | 117 | 115.8 Ų | 115.8 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | trans | -71.2 | 108.6 | 179.7 | -158.3 | 2.2 | 0 | 0 | 0 | 108.4 | S41 D45 | S41-N43 PolarHBondContact O-N 3.05Å; S41-N43 VanDerWaalsContact O-N 3.12Å; N43-D45 PolarHBondContact ND2-OD2 3.42Å; N43-D45 PolarHBondContact O-N 3.4Å; N43-D45 PolarHBondContact OD1-OD2 3.23Å | ||
| 44 | V | 51.4 | Low | 58 | Low | 112 Ų | 112 | 114 Ų | 114 | 68% | 0.679 | 64% | 0.638 | S | S | * | * | trans | -94.7 | 33.1 | 177.7 | -141.3 | 0 | 0 | 0 | 0 | 109.8 | V42 G46 | V42-V44 WeakPolarHBondContact O-CG2 3.4Å; V42-V44 PolarHBondContact O-N 2.99Å; V44-G46 PolarHBondContact O-N 3.5Å | ||
| 45 | D | 41.8 | Very low | 56.7 | Low | 133 Ų | 133 | 111.2 Ų | 111.2 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -72.9 | 100 | 179.1 | -82.2 | -21.9 | 0 | 0 | 0 | 110.3 | N43 Q47 | N43-D45 PolarHBondContact ND2-OD2 3.42Å; N43-D45 PolarHBondContact O-N 3.4Å; N43-D45 PolarHBondContact OD1-OD2 3.23Å; D45-Q47 PolarHBondContact O-N 2.64Å |
| 46 | G | 45.2 | Very low | 55.5 | Low | 78 Ų | 78 | 110 Ų | 110 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 93.5 | -13.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | V44 Q48 | V44-G46 PolarHBondContact O-N 3.5Å; G46-Q48 PolarHBondContact O-N 2.84Å |
| 47 | Q | 45.2 | Very low | 53.9 | Low | 149 Ų | 149 | 113.5 Ų | 113.5 | 70% | 0.696 | 66% | 0.656 | S | S | * | * | trans | -96.1 | 94.9 | 172.1 | -70.4 | -173.1 | -31.9 | 0 | 0 | 109.9 | D45 | D45-Q47 PolarHBondContact O-N 2.64Š| ||
| 48 | Q | 39 | Very low | 52.4 | Low | 179 Ų | 179 | 114.4 Ų | 114.4 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | trans | -31.6 | 136 | 168.1 | -154.9 | 149.8 | 9.4 | 0 | 0 | 111.5 | G46 A50 | G46-Q48 PolarHBondContact O-N 2.84Å; Q48-A50 PolarHBondContact O-N 3.14Å | ||
| 49 | P | 37 | Very low | 51.3 | Low | 119 Ų | 119 | 117.3 Ų | 117.3 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | trans | -67.1 | 81.9 | -167.5 | 28.2 | -34.8 | 0 | 0 | 0 | 110.4 | R51 | P49-R51 VanDerWaalsContact C-N 3.3Å; P49-R51 PolarHBondContact O-N 2.91Å | ||
| 50 | A | 42 | Very low | 50.6 | Low | 90 Ų | 90 | 120 Ų | 120 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | trans | -74.3 | 94.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | Q48 | Q48-A50 PolarHBondContact O-N 3.14Š| ||
| 51 | R | 39.7 | Very low | 50.3 | Low | 219 Ų | 219 | 120.8 Ų | 120.8 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 73.1 | 112.9 | 172.5 | -57.8 | 174.9 | 172.2 | 177.7 | -3.7 | 112.2 | P49 N53 | P49-R51 VanDerWaalsContact C-N 3.3Å; P49-R51 PolarHBondContact O-N 2.91Å; R51-N53 PolarHBondContact O-N 3.4Å |
| 52 | S | 37.1 | Very low | 50.6 | Low | 115 Ų | 115 | 124.7 Ų | 124.7 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | -42.9 | 82.8 | 157.1 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | P54 | S52-P54 VanDerWaalsContact O-CD 3.3Å; S52-P54 WeakPolarHBondContact O-CD 3.46Å; S52-P54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | N | 40.2 | Very low | 51.5 | Low | 132 Ų | 132 | 125.3 Ų | 125.3 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | trans | -67.4 | 109.3 | 157.3 | -81.3 | -23.1 | 0 | 0 | 0 | 103.6 | R51 A55 | R51-N53 PolarHBondContact O-N 3.4Å; N53-A55 PolarHBondContact O-N 3Å; N53-A55 VanDerWaalsContact O-N 3.08Å | ||
| 54 | P | 37 | Very low | 52.9 | Low | 107 Ų | 107 | 124.8 Ų | 124.8 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | trans | -55.1 | 124.9 | -173.3 | 24.5 | -31.9 | 0 | 0 | 0 | 105.7 | S52 V56 | S52-P54 VanDerWaalsContact O-CD 3.3Å; S52-P54 WeakPolarHBondContact O-CD 3.46Å; S52-P54 VanDerWaalsContact O-N 3.15Å; P54-V56 WeakPolarHBondContact O-CA 3.11Å; P54-V56 PolarHBondContact O-N 3.31Å | ||
| 55 | A | 44 | Very low | 54.8 | Low | 93 Ų | 93 | 127 Ų | 127 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | trans | -21.1 | 87.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | N53 N57 | N53-A55 PolarHBondContact O-N 3Å; N53-A55 VanDerWaalsContact O-N 3.08Å; A55-N57 VanDerWaalsContact C-N 3.33Å; A55-N57 PolarHBondContact O-N 3.24Å | ||
| 56 | V | 47.8 | Very low | 57.2 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 59% | 0.594 | 68% | 0.68 | S | S | * | * | trans | -56.9 | 112.9 | -178.8 | 155.8 | 0 | 0 | 0 | 0 | 100.6 | P54 S58 | P54-V56 WeakPolarHBondContact O-CA 3.11Å; P54-V56 PolarHBondContact O-N 3.31Å; V56-S58 WeakPolarHBondContact O-CA 3.33Å; V56-S58 WeakPolarHBondContact O-CB 3.4Å; V56-S58 PolarHBondContact O-N 2.83Å | ||
| 57 | N | 46.8 | Very low | 59.3 | Low | 146 Ų | 146 | 121.8 Ų | 121.8 | 78% | 0.781 | 66% | 0.663 | S | S | * | * | trans | -42.4 | 92.9 | -171.1 | -85.3 | -20.9 | 0 | 0 | 0 | 107.8 | A55 E59 | A55-N57 VanDerWaalsContact C-N 3.33Å; A55-N57 PolarHBondContact O-N 3.24Å; N57-E59 PolarHBondContact O-N 3.02Å | ||
| 58 | S | 53.3 | Low | 61.5 | Low | 67 Ų | 67 | 117.5 Ų | 117.5 | 47% | 0.469 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | -10.7 | -144.1 | 92.6 | 0 | 0 | 0 | 0 | 110 | R39 V56 K60 | R39-S58 PolarHBondContact NH1-O 3.34Å; R39-S58 PolarHBondContact NH2-O 3.44Å; V56-S58 WeakPolarHBondContact O-CA 3.33Å; V56-S58 WeakPolarHBondContact O-CB 3.4Å; V56-S58 PolarHBondContact O-N 2.83Å; S58-K60 VanDerWaalsContact C-N 3.27Å; S58-K60 PolarHBondContact O-N 3.41Å |
| 59 | E | 61 | Low | 63.8 | Low | 176 Ų | 176 | 109.4 Ų | 109.4 | 82% | 0.822 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -27 | -172.7 | -58.6 | -175.3 | 168.2 | 0 | 0 | 112.9 | N57 | N57-E59 PolarHBondContact O-N 3.02Š|
| 60 | K | 69.1 | Low | 66 | Low | 151 Ų | 151 | 105.6 Ų | 105.6 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -91.9 | 123.1 | -173.9 | -63.3 | -168.6 | 179.3 | -172.7 | 0 | 112.7 | S58 | S58-K60 VanDerWaalsContact C-N 3.27Å; S58-K60 PolarHBondContact O-N 3.41Å |
| 61 | S | 73.4 | Confident | 67.6 | Low | 43 Ų | 43 | 102.5 Ų | 102.5 | 30% | 0.301 | 56% | 0.559 | S | S | . | * | trans | -62.2 | 139.5 | 169.7 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | Y133 Q137 | S61-Y133 PolarHBondContact OG-OH 3.36Å; S61-Y133 VanDerWaalsContact OG-OH 3.06Å; S61-Q137 VanDerWaalsContact CB-NE2 3.31Å; S61-Q137 PolarHBondContact OG-NE2 2.94Å | ||
| 62 | R | 82.9 | Confident | 69.3 | Low | 190 Ų | 190 | 97.3 Ų | 97.3 | 72% | 0.717 | 54% | 0.542 | S | S | * | . | trans | -106.3 | 131.7 | 179.9 | -63.5 | -177.3 | 71 | -161 | 1 | 110.4 | ||||
| 63 | L | 86.9 | Confident | 71 | Confident | 117 Ų | 117 | 98 Ų | 98 | 61% | 0.613 | 54% | 0.535 | S | S | * | . | trans | -95.6 | 125.3 | 171.3 | -176.3 | 64.2 | 0 | 0 | 0 | 109.3 | V141 | L63-V141 HydrophobicContact CD1-CG1 4.18Å; L63-V141 HydrophobicContact CD1-CG2 4.26Å | ||
| 64 | H | 89.2 | Confident | 72.5 | Confident | 107 Ų | 107 | 92.6 Ų | 92.6 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | trans | -111.3 | 126.2 | 173.3 | -54.8 | 110.6 | 0 | 0 | 0 | 108.7 | I91 | H64-I91 HydrophobicContact CB-CD1 3.86Š| ||
| 65 | L | 91.1 | Very high | 74.1 | Confident | 158 Ų | 158 | 91.4 Ų | 91.4 | 83% | 0.827 | 49% | 0.491 | S | S | * | . | trans | -113.7 | 126 | 178.4 | -178.3 | 67.4 | 0 | 0 | 0 | 109.4 | ||||
| 66 | G | 92.3 | Very high | 75.6 | Confident | 34 Ų | 34 | 95.2 Ų | 95.2 | 35% | 0.351 | 49% | 0.491 | S | S | . | . | S | Bend | trans | 167.4 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 67 | P | 91.2 | Very high | 77.2 | Confident | 68 Ų | 68 | 95.7 Ų | 95.7 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | trans | -68.8 | 135.1 | 178.1 | 27.5 | -30.6 | 0 | 0 | 0 | 110.7 | F88 G89 L90 I91 | P67-F88 WeakPolarHBondContact CG-O 3.08Å; P67-G89 WeakPolarHBondContact CD-O 3.43Å; P67-G89 VanDerWaalsContact CG-O 3.22Å; P67-G89 WeakPolarHBondContact CG-O 3.47Å; P67-L90 HydrophobicContact CB-CD2 4.03Å; P67-L90 HydrophobicContact CG-CD2 4.25Å; P67-L90 WeakPolarHBondContact O-CA 3.41Å; P67-I91 WeakPolarHBondContact O-CG1 3.4Å; P67-I91 PolarHBondContact O-N 2.97Å | ||
| 68 | I | 89.7 | Confident | 79 | Confident | 59 Ų | 59 | 93.9 Ų | 93.9 | 30% | 0.303 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129 | 175.7 | -56.3 | -178.8 | 0 | 0 | 0 | 107.2 | I91 A92 D94 L114 | I68-I91 HydrophobicContact CG1-CG1 4.48Å; I68-A92 WeakPolarHBondContact CA-O 3.3Å; I68-A92 HydrophobicContact CG1-CB 4.23Å; I68-A92 HydrophobicContact CG2-CB 4.18Å; I68-D94 HydrophobicContact CG2-CB 4.41Å; I68-L114 HydrophobicContact CD1-CD2 4.15Å |
| 69 | A | 88 | Confident | 80.6 | Confident | 8 Ų | 8 | 96.3 Ų | 96.3 | 7% | 0.066 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 140 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F84 L90 A92 F93 D94 | A69-F84 HydrophobicContact CB-CD1 4.42Å; A69-F84 HydrophobicContact CB-CE1 3.92Å; A69-L90 HydrophobicContact CB-CD1 3.4Å; A69-L90 HydrophobicContact CB-CD2 4.01Å; A69-L90 HydrophobicContact CB-CG 4.27Å; A69-A92 PolarHBondContact N-O 3.15Å; A69-F93 HydrophobicContact CB-CD1 3.58Å; A69-F93 HydrophobicContact CB-CE1 3.67Å; A69-F93 HydrophobicContact CB-CG 4.35Å; A69-F93 HydrophobicContact CB-CZ 4.5Å; A69-F93 CarbonylContact O-C 3.49Å; A69-F93 WeakPolarHBondContact O-CA 3.28Å; A69-D94 PolarHBondContact O-N 2.91Å |
| 70 | A | 83.8 | Confident | 81.9 | Confident | 39 Ų | 39 | 92.6 Ų | 92.6 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | trans | -107.9 | 108.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | D94 F97 D98 I101 | A70-D94 WeakPolarHBondContact CA-O 3.11Å; A70-F97 HydrophobicContact CB-CB 4.19Å; A70-D98 HydrophobicContact CB-CB 4.37Å; A70-I101 HydrophobicContact CB-CG1 4.5Å | ||
| 71 | S | 75.8 | Confident | 82.7 | Confident | 25 Ų | 25 | 87.5 Ų | 87.5 | 18% | 0.175 | 45% | 0.448 | C | S | . | . | trans | -163.5 | 133.4 | 174.9 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | I73 V74 F75 | S71-I73 PolarHBondContact OG-N 2.97Å; S71-V74 WeakPolarHBondContact OG-CG2 3.22Å; S71-V74 PolarHBondContact OG-N 3.35Å; S71-F75 WeakPolarHBondContact O-CD2 3.36Å; S71-F75 VanDerWaalsContact O-CE2 3.3Å; S71-F75 WeakPolarHBondContact O-CE2 3.16Å | ||
| 72 | K | 74.2 | Confident | 83.4 | Confident | 111 Ų | 111 | 89.3 Ų | 89.3 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -84.4 | -24.7 | 169.7 | -64.6 | 176.9 | 178.6 | 106.5 | 0 | 112.8 | A95 D98 | K72-A95 WeakPolarHBondContact CE-O 3.14Å; K72-A95 HydrophobicContact CG-CB 4.21Å; K72-A95 WeakPolarHBondContact CG-O 3.34Å; K72-D98 VanDerWaalsContact NZ-CG 3.27Å; K72-D98 IonicContact NZ-OD1 2.92Å; K72-D98 PolarHBondContact NZ-OD1 3.28Å; K72-D98 IonicContact NZ-OD2 2.76Å; K72-D98 PolarHBondContact NZ-OD2 2.97Å |
| 73 | I | 73.2 | Confident | 83.9 | Confident | 128 Ų | 128 | 83.5 Ų | 83.5 | 66% | 0.656 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -80.5 | -41.5 | -170.7 | -58.9 | 173.1 | 0 | 0 | 0 | 110.6 | S71 F75 K76 | S71-I73 PolarHBondContact OG-N 2.97Å; I73-F75 PolarHBondContact O-N 2.97Å; I73-K76 PolarHBondContact O-N 2.85Å; I73-K76 VanDerWaalsContact O-N 3.08Å |
| 74 | V | 70.9 | Confident | 84 | Confident | 20 Ų | 20 | 81.5 Ų | 81.5 | 12% | 0.121 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -63.7 | -28.5 | -175.1 | 176.7 | 0 | 0 | 0 | 0 | 112 | S71 K76 H77 K81 F93 | S71-V74 WeakPolarHBondContact OG-CG2 3.22Å; S71-V74 PolarHBondContact OG-N 3.35Å; V74-K76 PolarHBondContact O-N 3Å; V74-H77 PolarHBondContact O-N 2.86Å; V74-K81 HydrophobicContact CG1-CB 3.62Å; V74-K81 HydrophobicContact CG1-CG 3.98Å; V74-F93 HydrophobicContact CG1-CE1 3.94Å |
| 75 | F | 70.7 | Confident | 84.1 | Confident | 82 Ų | 82 | 78.2 Ų | 78.2 | 36% | 0.36 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -63.3 | -23.1 | 175.8 | -79.8 | -86.6 | 0 | 0 | 0 | 114.3 | S71 I73 H77 F93 A95 | S71-F75 WeakPolarHBondContact O-CD2 3.36Å; S71-F75 VanDerWaalsContact O-CE2 3.3Å; S71-F75 WeakPolarHBondContact O-CE2 3.16Å; I73-F75 PolarHBondContact O-N 2.97Å; F75-H77 VanDerWaalsContact C-N 3.3Å; F75-F93 HydrophobicContact CE1-CB 4.13Å; F75-F93 HydrophobicContact CE2-CB 3.7Å; F75-F93 HydrophobicContact CE2-CG 4.48Å; F75-F93 HydrophobicContact CZ-CB 3.28Å; F75-F93 HydrophobicContact CZ-CG 4.23Å; F75-A95 HydrophobicContact CD2-CB 4.05Å; F75-A95 HydrophobicContact CE2-CB 3.73Å; F75-A95 HydrophobicContact CZ-CB 4.46Å |
| 76 | K | 75.9 | Confident | 84.1 | Confident | 172 Ų | 172 | 79.7 Ų | 79.7 | 75% | 0.748 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -77.6 | -18.2 | -179.1 | -63.2 | -174.5 | 178.7 | -177.6 | 0 | 113 | I73 V74 | I73-K76 PolarHBondContact O-N 2.85Å; I73-K76 VanDerWaalsContact O-N 3.08Å; V74-K76 PolarHBondContact O-N 3Å |
| 77 | H | 81.9 | Confident | 84.2 | Confident | 108 Ų | 108 | 86.8 Ų | 86.8 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | trans | -133.7 | 99.3 | -173.2 | -67.2 | -54.7 | 0 | 0 | 0 | 110.8 | V74 F75 V79 L80 K81 | V74-H77 PolarHBondContact O-N 2.86Å; F75-H77 VanDerWaalsContact C-N 3.3Å; H77-V79 VanDerWaalsContact C-N 3.29Å; H77-V79 PolarHBondContact O-N 3.2Å; H77-L80 HydrophobicContact CB-CB 3.98Å; H77-L80 HydrophobicContact CB-CD1 3.79Å; H77-L80 HydrophobicContact CB-CG 3.93Å; H77-L80 PolarHBondContact O-N 3.17Å; H77-K81 PolarHBondContact O-N 3.44Å | ||
| 78 | Q | 83.5 | Confident | 84.3 | Confident | 108 Ų | 108 | 88.5 Ų | 88.5 | 51% | 0.505 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -54.7 | -42 | -178.2 | -173.8 | 63.5 | 20.6 | 0 | 0 | 112.9 | L80 K81 D82 | Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 2.87Å; Q78-K81 WeakPolarHBondContact O-CB 3.47Å; Q78-K81 PolarHBondContact O-N 3.48Å; Q78-K81 VanDerWaalsContact O-N 3.14Å; Q78-D82 PolarHBondContact NE2-OD1 2.58Å; Q78-D82 PolarHBondContact NE2-OD2 2.95Å; Q78-D82 VanDerWaalsContact O-CG 3.27Å; Q78-D82 PolarHBondContact O-N 3.48Å |
| 79 | V | 88.8 | Confident | 84.4 | Confident | 119 Ų | 119 | 87.9 Ų | 87.9 | 72% | 0.721 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 177.8 | 179 | 0 | 0 | 0 | 0 | 111.8 | H77 D82 D83 | H77-V79 VanDerWaalsContact C-N 3.29Å; H77-V79 PolarHBondContact O-N 3.2Å; V79-D82 PolarHBondContact O-N 2.61Å; V79-D83 WeakPolarHBondContact O-CB 3.31Å; V79-D83 PolarHBondContact O-N 2.6Å |
| 80 | L | 87.4 | Confident | 84.5 | Confident | 97 Ų | 97 | 88.4 Ų | 88.4 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.7 | -37.2 | 175.9 | -65.8 | 179.7 | 0 | 0 | 0 | 111.1 | H77 Q78 F84 | H77-L80 HydrophobicContact CB-CB 3.98Å; H77-L80 HydrophobicContact CB-CD1 3.79Å; H77-L80 HydrophobicContact CB-CG 3.93Å; H77-L80 PolarHBondContact O-N 3.17Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 2.87Å; L80-F84 WeakPolarHBondContact O-CB 3.33Å; L80-F84 PolarHBondContact O-N 3.25Å |
| 81 | K | 86 | Confident | 84.8 | Confident | 45 Ų | 45 | 90.4 Ų | 90.4 | 20% | 0.196 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 174.6 | -174.1 | -176.5 | 173.2 | -174.5 | 0 | 111.7 | V74 H77 Q78 F84 T85 F93 | V74-K81 HydrophobicContact CG1-CB 3.62Å; V74-K81 HydrophobicContact CG1-CG 3.98Å; H77-K81 PolarHBondContact O-N 3.44Å; Q78-K81 WeakPolarHBondContact O-CB 3.47Å; Q78-K81 PolarHBondContact O-N 3.48Å; Q78-K81 VanDerWaalsContact O-N 3.14Å; K81-F84 PolarHBondContact O-N 3.06Å; K81-T85 VanDerWaalsContact O-CB 3.28Å; K81-T85 WeakPolarHBondContact O-CB 3.39Å; K81-T85 PolarHBondContact O-N 2.8Å; K81-T85 PolarHBondContact O-OG1 3.3Å; K81-F93 HydrophobicContact CD-CE2 4.45Å; K81-F93 HydrophobicContact CG-CE1 4.16Å; K81-F93 HydrophobicContact CG-CE2 3.87Å; K81-F93 HydrophobicContact CG-CZ 3.66Å |
| 82 | D | 89 | Confident | 85.4 | Confident | 81 Ų | 81 | 90.3 Ų | 90.3 | 43% | 0.433 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.3 | -41.8 | -178.1 | -65.6 | -19.8 | 0 | 0 | 0 | 111.1 | Q78 V79 T85 R86 | Q78-D82 PolarHBondContact NE2-OD1 2.58Å; Q78-D82 PolarHBondContact NE2-OD2 2.95Å; Q78-D82 VanDerWaalsContact O-CG 3.27Å; Q78-D82 PolarHBondContact O-N 3.48Å; V79-D82 PolarHBondContact O-N 2.61Å; D82-T85 PolarHBondContact O-N 3.08Å; D82-R86 WeakPolarHBondContact O-CB 3.36Å; D82-R86 PolarHBondContact O-N 2.82Å |
| 83 | D | 92 | Very high | 85.9 | Confident | 68 Ų | 68 | 86.9 Ų | 86.9 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 174.2 | -173.3 | 64.2 | 0 | 0 | 0 | 111.9 | V79 R86 R87 | V79-D83 WeakPolarHBondContact O-CB 3.31Å; V79-D83 PolarHBondContact O-N 2.6Å; D83-R86 PolarHBondContact O-N 3.28Å; D83-R86 IonicContact OD1-CZ 2.88Å; D83-R86 IonicContact OD1-NH2 2.69Å; D83-R86 PolarHBondContact OD1-NH2 2.87Å; D83-R87 VanDerWaalsContact O-CB 3.24Å; D83-R87 WeakPolarHBondContact O-CB 3.45Å; D83-R87 PolarHBondContact O-N 2.8Å |
| 84 | F | 89.4 | Confident | 86.4 | Confident | 74 Ų | 74 | 82.2 Ų | 82.2 | 33% | 0.325 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -41 | 178.4 | -164.8 | -100.5 | 0 | 0 | 0 | 111.7 | A69 L80 K81 R87 F88 L90 F93 | A69-F84 HydrophobicContact CB-CD1 4.42Å; A69-F84 HydrophobicContact CB-CE1 3.92Å; L80-F84 WeakPolarHBondContact O-CB 3.33Å; L80-F84 PolarHBondContact O-N 3.25Å; K81-F84 PolarHBondContact O-N 3.06Å; F84-R87 PolarHBondContact O-N 3.01Å; F84-F88 HydrophobicContact CD1-CD2 4.15Å; F84-F88 AromaticContact CD2-CD2 3.65Å; F84-F88 HydrophobicContact CD2-CD2 3.65Å; F84-F88 AromaticContact CD2-CE2 3.47Å; F84-F88 HydrophobicContact CD2-CE2 3.47Å; F84-F88 VanDerWaalsContact CD2-CE2 3.47Å; F84-F88 HydrophobicContact CE1-CD2 4.02Å; F84-F88 HydrophobicContact CE1-CE2 4.5Å; F84-F88 AromaticContact CE2-CD2 3.53Å; F84-F88 HydrophobicContact CE2-CD2 3.53Å; F84-F88 AromaticContact CE2-CE2 3.19Å; F84-F88 HydrophobicContact CE2-CE2 3.19Å; F84-F88 HydrophobicContact CE2-CZ 4.15Å; F84-F88 AromaticContact CG-CD2 3.95Å; F84-F88 HydrophobicContact CG-CD2 3.95Å; F84-F88 HydrophobicContact CG-CE2 4.24Å; F84-F88 AromaticContact CZ-CD2 3.7Å; F84-F88 HydrophobicContact CZ-CD2 3.7Å; F84-F88 AromaticContact CZ-CE2 3.76Å; F84-F88 HydrophobicContact CZ-CE2 3.76Å; F84-F88 WeakPolarHBondContact O-CD2 2.8Å; F84-F88 PolarHBondContact O-N 3.33Å; F84-L90 HydrophobicContact CD1-CD1 3.33Å; F84-L90 HydrophobicContact CE1-CD1 3.64Å; F84-L90 HydrophobicContact CG-CD1 4.42Å; F84-F93 HydrophobicContact CD1-CE1 4.23Å |
| 85 | T | 90.5 | Very high | 86.7 | Confident | 38 Ų | 38 | 83 Ų | 83 | 23% | 0.233 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.3 | -52.5 | 173.2 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | K81 D82 R87 G89 L90 F93 | K81-T85 VanDerWaalsContact O-CB 3.28Å; K81-T85 WeakPolarHBondContact O-CB 3.39Å; K81-T85 PolarHBondContact O-N 2.8Å; K81-T85 PolarHBondContact O-OG1 3.3Å; D82-T85 PolarHBondContact O-N 3.08Å; T85-R87 VanDerWaalsContact C-N 3.34Å; T85-R87 PolarHBondContact O-N 2.94Å; T85-G89 WeakPolarHBondContact O-CA 3.31Å; T85-G89 PolarHBondContact O-N 3.05Å; T85-L90 HydrophobicContact CG2-CB 4.2Å; T85-L90 WeakPolarHBondContact CG2-O 3.34Å; T85-L90 PolarHBondContact O-N 2.84Å; T85-L90 VanDerWaalsContact O-N 3.07Å; T85-F93 VanDerWaalsContact OG1-CE2 3.22Å; T85-F93 WeakPolarHBondContact OG1-CE2 3.44Å; T85-F93 WeakPolarHBondContact OG1-CZ 3.3Å |
| 86 | R | 92.9 | Very high | 87.1 | Confident | 189 Ų | 189 | 81.3 Ų | 81.3 | 71% | 0.713 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.7 | -40.6 | -179.2 | -177.4 | 179.2 | 61.7 | 84.5 | 3.3 | 111.8 | D82 D83 | D82-R86 WeakPolarHBondContact O-CB 3.36Å; D82-R86 PolarHBondContact O-N 2.82Å; D83-R86 PolarHBondContact O-N 3.28Å; D83-R86 IonicContact OD1-CZ 2.88Å; D83-R86 IonicContact OD1-NH2 2.69Å; D83-R86 PolarHBondContact OD1-NH2 2.87Å |
| 87 | R | 94.1 | Very high | 87.5 | Confident | 183 Ų | 183 | 74.5 Ų | 74.5 | 69% | 0.691 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.4 | -37.2 | -177.2 | -175.1 | 171.6 | 179.8 | 173.5 | -0.4 | 113.1 | D83 F84 T85 | D83-R87 VanDerWaalsContact O-CB 3.24Å; D83-R87 WeakPolarHBondContact O-CB 3.45Å; D83-R87 PolarHBondContact O-N 2.8Å; F84-R87 PolarHBondContact O-N 3.01Å; T85-R87 VanDerWaalsContact C-N 3.34Å; T85-R87 PolarHBondContact O-N 2.94Å |
| 88 | F | 91.9 | Very high | 87.7 | Confident | 104 Ų | 104 | 71.2 Ų | 71.2 | 46% | 0.456 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -109 | 4.2 | -175.7 | -63.7 | -75.4 | 0 | 0 | 0 | 114 | P67 F84 L90 | P67-F88 WeakPolarHBondContact CG-O 3.08Å; F84-F88 HydrophobicContact CD1-CD2 4.15Å; F84-F88 AromaticContact CD2-CD2 3.65Å; F84-F88 HydrophobicContact CD2-CD2 3.65Å; F84-F88 AromaticContact CD2-CE2 3.47Å; F84-F88 HydrophobicContact CD2-CE2 3.47Å; F84-F88 VanDerWaalsContact CD2-CE2 3.47Å; F84-F88 HydrophobicContact CE1-CD2 4.02Å; F84-F88 HydrophobicContact CE1-CE2 4.5Å; F84-F88 AromaticContact CE2-CD2 3.53Å; F84-F88 HydrophobicContact CE2-CD2 3.53Å; F84-F88 AromaticContact CE2-CE2 3.19Å; F84-F88 HydrophobicContact CE2-CE2 3.19Å; F84-F88 HydrophobicContact CE2-CZ 4.15Å; F84-F88 AromaticContact CG-CD2 3.95Å; F84-F88 HydrophobicContact CG-CD2 3.95Å; F84-F88 HydrophobicContact CG-CE2 4.24Å; F84-F88 AromaticContact CZ-CD2 3.7Å; F84-F88 HydrophobicContact CZ-CD2 3.7Å; F84-F88 AromaticContact CZ-CE2 3.76Å; F84-F88 HydrophobicContact CZ-CE2 3.76Å; F84-F88 WeakPolarHBondContact O-CD2 2.8Å; F84-F88 PolarHBondContact O-N 3.33Å; F88-L90 VanDerWaalsContact C-N 3.3Å; F88-L90 HydrophobicContact CB-CD1 4.5Å; F88-L90 HydrophobicContact CB-CD2 3.79Å; F88-L90 HydrophobicContact CB-CG 3.91Å; F88-L90 PolarHBondContact O-N 3.28Å |
| 89 | G | 93 | Very high | 87.9 | Confident | 47 Ų | 47 | 70 Ų | 70 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 37 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P67 T85 | P67-G89 WeakPolarHBondContact CD-O 3.43Å; P67-G89 VanDerWaalsContact CG-O 3.22Å; P67-G89 WeakPolarHBondContact CG-O 3.47Å; T85-G89 WeakPolarHBondContact O-CA 3.31Å; T85-G89 PolarHBondContact O-N 3.05Å |
| 90 | L | 90.4 | Very high | 87.8 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | trans | -70.7 | 141.3 | -172.4 | -54.7 | 174.6 | 0 | 0 | 0 | 111.7 | P67 A69 F84 T85 F88 F93 | P67-L90 HydrophobicContact CB-CD2 4.03Å; P67-L90 HydrophobicContact CG-CD2 4.25Å; P67-L90 WeakPolarHBondContact O-CA 3.41Å; A69-L90 HydrophobicContact CB-CD1 3.4Å; A69-L90 HydrophobicContact CB-CD2 4.01Å; A69-L90 HydrophobicContact CB-CG 4.27Å; F84-L90 HydrophobicContact CD1-CD1 3.33Å; F84-L90 HydrophobicContact CE1-CD1 3.64Å; F84-L90 HydrophobicContact CG-CD1 4.42Å; T85-L90 HydrophobicContact CG2-CB 4.2Å; T85-L90 WeakPolarHBondContact CG2-O 3.34Å; T85-L90 PolarHBondContact O-N 2.84Å; T85-L90 VanDerWaalsContact O-N 3.07Å; F88-L90 VanDerWaalsContact C-N 3.3Å; F88-L90 HydrophobicContact CB-CD1 4.5Å; F88-L90 HydrophobicContact CB-CD2 3.79Å; F88-L90 HydrophobicContact CB-CG 3.91Å; F88-L90 PolarHBondContact O-N 3.28Å; L90-F93 HydrophobicContact CD1-CE1 3.77Å; L90-F93 HydrophobicContact CD1-CE2 4.3Å; L90-F93 HydrophobicContact CD1-CZ 3.55Å | ||
| 91 | I | 89.2 | Confident | 87.9 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 42% | 0.415 | 34% | 0.337 | S | S | . | . | trans | -105.1 | -20 | 175.8 | 62.6 | 157.2 | 0 | 0 | 0 | 112.9 | H64 P67 I68 | H64-I91 HydrophobicContact CB-CD1 3.86Å; P67-I91 WeakPolarHBondContact O-CG1 3.4Å; P67-I91 PolarHBondContact O-N 2.97Å; I68-I91 HydrophobicContact CG1-CG1 4.48Å | ||
| 92 | A | 87.7 | Confident | 88 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 165.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I68 A69 | I68-A92 WeakPolarHBondContact CA-O 3.3Å; I68-A92 HydrophobicContact CG1-CB 4.23Å; I68-A92 HydrophobicContact CG2-CB 4.18Å; A69-A92 PolarHBondContact N-O 3.15Å |
| 93 | F | 84.9 | Confident | 88.2 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 18% | 0.175 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 137.3 | 175.6 | -69.7 | -97.7 | 0 | 0 | 0 | 109.9 | A69 V74 F75 K81 F84 T85 L90 | A69-F93 HydrophobicContact CB-CD1 3.58Å; A69-F93 HydrophobicContact CB-CE1 3.67Å; A69-F93 HydrophobicContact CB-CG 4.35Å; A69-F93 HydrophobicContact CB-CZ 4.5Å; A69-F93 CarbonylContact O-C 3.49Å; A69-F93 WeakPolarHBondContact O-CA 3.28Å; V74-F93 HydrophobicContact CG1-CE1 3.94Å; F75-F93 HydrophobicContact CE1-CB 4.13Å; F75-F93 HydrophobicContact CE2-CB 3.7Å; F75-F93 HydrophobicContact CE2-CG 4.48Å; F75-F93 HydrophobicContact CZ-CB 3.28Å; F75-F93 HydrophobicContact CZ-CG 4.23Å; K81-F93 HydrophobicContact CD-CE2 4.45Å; K81-F93 HydrophobicContact CG-CE1 4.16Å; K81-F93 HydrophobicContact CG-CE2 3.87Å; K81-F93 HydrophobicContact CG-CZ 3.66Å; F84-F93 HydrophobicContact CD1-CE1 4.23Å; T85-F93 VanDerWaalsContact OG1-CE2 3.22Å; T85-F93 WeakPolarHBondContact OG1-CE2 3.44Å; T85-F93 WeakPolarHBondContact OG1-CZ 3.3Å; L90-F93 HydrophobicContact CD1-CE1 3.77Å; L90-F93 HydrophobicContact CD1-CE2 4.3Å; L90-F93 HydrophobicContact CD1-CZ 3.55Å |
| 94 | D | 85.1 | Confident | 88.1 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | trans | -128.5 | 107.2 | 172.2 | -169.5 | -32.8 | 0 | 0 | 0 | 109.3 | I68 A69 A70 G96 F97 R116 | I68-D94 HydrophobicContact CG2-CB 4.41Å; A69-D94 PolarHBondContact O-N 2.91Å; A70-D94 WeakPolarHBondContact CA-O 3.11Å; D94-G96 PolarHBondContact O-N 2.86Å; D94-G96 PolarHBondContact OD1-N 3.25Å; D94-F97 HydrophobicContact CB-CB 3.98Å; D94-F97 PolarHBondContact OD1-N 3.26Å; D94-R116 IonicContact OD2-CZ 2.7Å; D94-R116 VanDerWaalsContact OD2-CZ 3.26Å; D94-R116 IonicContact OD2-NE 2.86Å; D94-R116 PolarHBondContact OD2-NE 3.13Å; D94-R116 IonicContact OD2-NH2 3.73Å; D94-R116 PolarHBondContact OD2-NH2 2.93Å | ||
| 95 | A | 76.8 | Confident | 88.1 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 31% | 0.306 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -17.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | K72 F75 | K72-A95 WeakPolarHBondContact CE-O 3.14Å; K72-A95 HydrophobicContact CG-CB 4.21Å; K72-A95 WeakPolarHBondContact CG-O 3.34Å; F75-A95 HydrophobicContact CD2-CB 4.05Å; F75-A95 HydrophobicContact CE2-CB 3.73Å; F75-A95 HydrophobicContact CZ-CB 4.46Å |
| 96 | G | 78.8 | Confident | 88.2 | Confident | 46 Ų | 46 | 69.3 Ų | 69.3 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -3.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D94 | D94-G96 PolarHBondContact O-N 2.86Å; D94-G96 PolarHBondContact OD1-N 3.25Å |
| 97 | F | 84 | Confident | 88.3 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 13% | 0.127 | 37% | 0.372 | C | S | . | . | trans | -94 | -4.4 | -170 | -155.2 | -112.1 | 0 | 0 | 0 | 114.4 | A70 D94 T99 V100 I101 L114 | A70-F97 HydrophobicContact CB-CB 4.19Å; D94-F97 HydrophobicContact CB-CB 3.98Å; D94-F97 PolarHBondContact OD1-N 3.26Å; F97-T99 PolarHBondContact O-N 3.05Å; F97-V100 HydrophobicContact CD2-CB 3.81Å; F97-V100 HydrophobicContact CD2-CG1 4.25Å; F97-V100 HydrophobicContact CD2-CG2 3.85Å; F97-V100 HydrophobicContact CE1-CB 4.31Å; F97-V100 HydrophobicContact CE1-CG1 4.26Å; F97-V100 HydrophobicContact CE2-CB 3.55Å; F97-V100 HydrophobicContact CE2-CG1 3.46Å; F97-V100 VanDerWaalsContact CE2-CG1 3.46Å; F97-V100 HydrophobicContact CE2-CG2 3.8Å; F97-V100 HydrophobicContact CG-CB 4.28Å; F97-V100 HydrophobicContact CZ-CB 3.79Å; F97-V100 HydrophobicContact CZ-CG1 3.43Å; F97-V100 VanDerWaalsContact CZ-CG1 3.43Å; F97-V100 PolarHBondContact O-N 3.27Å; F97-I101 HydrophobicContact CD1-CD1 3.66Å; F97-I101 HydrophobicContact CD1-CG1 3.46Å; F97-I101 VanDerWaalsContact CD1-CG1 3.46Å; F97-I101 HydrophobicContact CE1-CD1 3.32Å; F97-I101 HydrophobicContact CE1-CG1 3.63Å; F97-I101 HydrophobicContact CZ-CD1 4.44Å; F97-I101 WeakPolarHBondContact O-CG1 3.36Å; F97-I101 PolarHBondContact O-N 3.34Å; F97-I101 VanDerWaalsContact O-N 3.08Å; F97-L114 HydrophobicContact CD1-CD1 4.39Å; F97-L114 HydrophobicContact CD1-CD2 3.63Å; F97-L114 HydrophobicContact CD2-CD1 4.24Å; F97-L114 HydrophobicContact CE1-CB 4.42Å; F97-L114 HydrophobicContact CE1-CD1 3.67Å; F97-L114 HydrophobicContact CE1-CD2 3.48Å; F97-L114 VanDerWaalsContact CE1-CD2 3.48Å; F97-L114 HydrophobicContact CE1-CG 4.02Å; F97-L114 HydrophobicContact CE2-CD1 3.5Å; F97-L114 VanDerWaalsContact CE2-CD1 3.5Å; F97-L114 HydrophobicContact CE2-CD2 4.47Å; F97-L114 HydrophobicContact CG-CD2 4.23Å; F97-L114 HydrophobicContact CZ-CD1 3.2Å; F97-L114 HydrophobicContact CZ-CD2 3.96Å; F97-L114 HydrophobicContact CZ-CG 4.06Å | ||
| 98 | D | 85.8 | Confident | 88.1 | Confident | 39 Ų | 39 | 67.7 Ų | 67.7 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56 | -49 | -178.9 | 53 | -17 | 0 | 0 | 0 | 112.1 | A70 K72 V100 I101 E102 | A70-D98 HydrophobicContact CB-CB 4.37Å; K72-D98 VanDerWaalsContact NZ-CG 3.27Å; K72-D98 IonicContact NZ-OD1 2.92Å; K72-D98 PolarHBondContact NZ-OD1 3.28Å; K72-D98 IonicContact NZ-OD2 2.76Å; K72-D98 PolarHBondContact NZ-OD2 2.97Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.22Å; D98-I101 PolarHBondContact O-N 3.37Å; D98-E102 WeakPolarHBondContact O-CG 3.43Å; D98-E102 PolarHBondContact O-N 3.46Å |
| 99 | T | 87.7 | Confident | 88.1 | Confident | 82 Ų | 82 | 66.6 Ų | 66.6 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.1 | -31.7 | 179.8 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | F97 S103 | F97-T99 PolarHBondContact O-N 3.05Å; T99-S103 WeakPolarHBondContact O-CB 3.1Å; T99-S103 PolarHBondContact O-N 3.42Å |
| 100 | V | 88.2 | Confident | 88 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 38% | 0.382 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.1 | -45.1 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 110 | F97 D98 S103 V104 | F97-V100 HydrophobicContact CD2-CB 3.81Å; F97-V100 HydrophobicContact CD2-CG1 4.25Å; F97-V100 HydrophobicContact CD2-CG2 3.85Å; F97-V100 HydrophobicContact CE1-CB 4.31Å; F97-V100 HydrophobicContact CE1-CG1 4.26Å; F97-V100 HydrophobicContact CE2-CB 3.55Å; F97-V100 HydrophobicContact CE2-CG1 3.46Å; F97-V100 VanDerWaalsContact CE2-CG1 3.46Å; F97-V100 HydrophobicContact CE2-CG2 3.8Å; F97-V100 HydrophobicContact CG-CB 4.28Å; F97-V100 HydrophobicContact CZ-CB 3.79Å; F97-V100 HydrophobicContact CZ-CG1 3.43Å; F97-V100 VanDerWaalsContact CZ-CG1 3.43Å; F97-V100 PolarHBondContact O-N 3.27Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.22Å; V100-S103 WeakPolarHBondContact O-CB 3.49Å; V100-S103 PolarHBondContact O-N 2.9Å; V100-V104 VanDerWaalsContact O-CG2 3.31Å; V100-V104 WeakPolarHBondContact O-CG2 3.45Å; V100-V104 PolarHBondContact O-N 2.88Å |
| 101 | I | 88 | Confident | 88 | Confident | 32 Ų | 32 | 70.5 Ų | 70.5 | 16% | 0.164 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.3 | -66.4 | -63.8 | 0 | 0 | 0 | 111.1 | A70 F97 D98 S103 V104 F105 W112 | A70-I101 HydrophobicContact CB-CG1 4.5Å; F97-I101 HydrophobicContact CD1-CD1 3.66Å; F97-I101 HydrophobicContact CD1-CG1 3.46Å; F97-I101 VanDerWaalsContact CD1-CG1 3.46Å; F97-I101 HydrophobicContact CE1-CD1 3.32Å; F97-I101 HydrophobicContact CE1-CG1 3.63Å; F97-I101 HydrophobicContact CZ-CD1 4.44Å; F97-I101 WeakPolarHBondContact O-CG1 3.36Å; F97-I101 PolarHBondContact O-N 3.34Å; F97-I101 VanDerWaalsContact O-N 3.08Å; D98-I101 PolarHBondContact O-N 3.37Å; I101-S103 VanDerWaalsContact C-N 3.3Å; I101-S103 PolarHBondContact O-N 3.21Å; I101-V104 PolarHBondContact O-N 3.24Å; I101-F105 HydrophobicContact CG2-CD2 3.55Å; I101-F105 HydrophobicContact CG2-CE2 3.23Å; I101-F105 HydrophobicContact CG2-CZ 4.3Å; I101-F105 WeakPolarHBondContact O-CD2 3.13Å; I101-F105 PolarHBondContact O-N 3.26Å; I101-W112 HydrophobicContact CD1-CH2 3.16Å; I101-W112 HydrophobicContact CD1-CZ2 3.91Å; I101-W112 HydrophobicContact CD1-CZ3 3.59Å |
| 102 | E | 89 | Confident | 88.1 | Confident | 135 Ų | 135 | 71.4 Ų | 71.4 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.4 | -42.5 | 176 | -75 | -179.8 | 171 | 0 | 0 | 111.9 | D98 F105 G106 | D98-E102 WeakPolarHBondContact O-CG 3.43Å; D98-E102 PolarHBondContact O-N 3.46Å; E102-F105 PolarHBondContact O-N 2.68Å; E102-G106 PolarHBondContact O-N 3.37Å |
| 103 | S | 91.8 | Very high | 88.2 | Confident | 63 Ų | 63 | 74.5 Ų | 74.5 | 44% | 0.441 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 176.3 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | T99 V100 I101 F105 G106 N107 | T99-S103 WeakPolarHBondContact O-CB 3.1Å; T99-S103 PolarHBondContact O-N 3.42Å; V100-S103 WeakPolarHBondContact O-CB 3.49Å; V100-S103 PolarHBondContact O-N 2.9Å; I101-S103 VanDerWaalsContact C-N 3.3Å; I101-S103 PolarHBondContact O-N 3.21Å; S103-F105 VanDerWaalsContact C-N 3.33Å; S103-F105 PolarHBondContact O-N 2.63Å; S103-G106 PolarHBondContact O-N 3.39Å; S103-N107 WeakPolarHBondContact O-CB 3.28Å; S103-N107 PolarHBondContact O-N 3.08Å; S103-N107 PolarHBondContact O-ND2 3.19Å; S103-N107 PolarHBondContact OG-ND2 2.79Å |
| 104 | V | 90.9 | Very high | 88.5 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 12% | 0.121 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 176.5 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | V100 I101 R108 I109 W112 | V100-V104 VanDerWaalsContact O-CG2 3.31Å; V100-V104 WeakPolarHBondContact O-CG2 3.45Å; V100-V104 PolarHBondContact O-N 2.88Å; I101-V104 PolarHBondContact O-N 3.24Å; V104-R108 PolarHBondContact O-N 2.93Å; V104-I109 HydrophobicContact CG1-CB 4.06Å; V104-I109 HydrophobicContact CG1-CG2 4.48Å; V104-I109 PolarHBondContact O-N 2.94Å; V104-I109 VanDerWaalsContact O-N 3.14Å; V104-W112 HydrophobicContact CG1-CB 4.46Å; V104-W112 HydrophobicContact CG1-CD2 3.84Å; V104-W112 HydrophobicContact CG1-CG 3.66Å; V104-W112 HydrophobicContact CG1-CZ2 4.5Å |
| 105 | F | 88.6 | Confident | 88.8 | Confident | 137 Ų | 137 | 75.9 Ų | 75.9 | 60% | 0.601 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.4 | -44.6 | 175.6 | -72.7 | -55.2 | 0 | 0 | 0 | 112.5 | I101 E102 S103 N107 R108 | I101-F105 HydrophobicContact CG2-CD2 3.55Å; I101-F105 HydrophobicContact CG2-CE2 3.23Å; I101-F105 HydrophobicContact CG2-CZ 4.3Å; I101-F105 WeakPolarHBondContact O-CD2 3.13Å; I101-F105 PolarHBondContact O-N 3.26Å; E102-F105 PolarHBondContact O-N 2.68Å; S103-F105 VanDerWaalsContact C-N 3.33Å; S103-F105 PolarHBondContact O-N 2.63Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-N107 PolarHBondContact O-N 3.27Å; F105-R108 PolarHBondContact O-N 3.02Å |
| 106 | G | 93.8 | Very high | 89.5 | Confident | 58 Ų | 58 | 80.3 Ų | 80.3 | 60% | 0.598 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.7 | -37.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E102 S103 R108 | E102-G106 PolarHBondContact O-N 3.37Å; S103-G106 PolarHBondContact O-N 3.39Å; G106-R108 VanDerWaalsContact C-N 3.27Å; G106-R108 PolarHBondContact O-N 2.97Å |
| 107 | N | 94.2 | Very high | 90 | Very high | 111 Ų | 111 | 79.2 Ų | 79.2 | 59% | 0.594 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 5.3 | 177.1 | -68.5 | -47.7 | 0 | 0 | 0 | 114 | S103 F105 I109 | S103-N107 WeakPolarHBondContact O-CB 3.28Å; S103-N107 PolarHBondContact O-N 3.08Å; S103-N107 PolarHBondContact O-ND2 3.19Å; S103-N107 PolarHBondContact OG-ND2 2.79Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-N107 PolarHBondContact O-N 3.27Å; N107-I109 HydrophobicContact CB-CD1 4.16Å; N107-I109 HydrophobicContact CB-CG1 4Å; N107-I109 PolarHBondContact O-N 2.9Å |
| 108 | R | 90.9 | Very high | 90.2 | Very high | 227 Ų | 227 | 82.9 Ų | 82.9 | 86% | 0.857 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 34.1 | 178.1 | -52.5 | -179 | -176.5 | 177.9 | 0.8 | 113.6 | V104 F105 G106 G110 | V104-R108 PolarHBondContact O-N 2.93Å; F105-R108 PolarHBondContact O-N 3.02Å; G106-R108 VanDerWaalsContact C-N 3.27Å; G106-R108 PolarHBondContact O-N 2.97Å; R108-G110 PolarHBondContact O-N 3.27Å; R108-G110 VanDerWaalsContact O-N 3.13Å |
| 109 | I | 92.2 | Very high | 90.2 | Very high | 81 Ų | 81 | 81.8 Ų | 81.8 | 42% | 0.415 | 45% | 0.448 | S | S | . | . | trans | -73.8 | 106.6 | 177.9 | -59.5 | 175.1 | 0 | 0 | 0 | 108.4 | V104 N107 W112 | V104-I109 HydrophobicContact CG1-CB 4.06Å; V104-I109 HydrophobicContact CG1-CG2 4.48Å; V104-I109 PolarHBondContact O-N 2.94Å; V104-I109 VanDerWaalsContact O-N 3.14Å; N107-I109 HydrophobicContact CB-CD1 4.16Å; N107-I109 HydrophobicContact CB-CG1 4Å; N107-I109 PolarHBondContact O-N 2.9Å; I109-W112 HydrophobicContact CG2-CB 4.23Å | ||
| 110 | G | 89.4 | Confident | 89.9 | Confident | 72 Ų | 72 | 81.7 Ų | 81.7 | 74% | 0.742 | 44% | 0.444 | S | S | * | . | trans | -80.6 | -14.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R108 | R108-G110 PolarHBondContact O-N 3.27Å; R108-G110 VanDerWaalsContact O-N 3.13Å | ||
| 111 | S | 90.8 | Very high | 88.9 | Confident | 76 Ų | 76 | 81.2 Ų | 81.2 | 53% | 0.531 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -138.2 | 107.4 | -174.1 | 171.5 | 0 | 0 | 0 | 0 | 109.8 | M1 | M1-S111 WeakPolarHBondContact CE-OG 3.49Å; M1-S111 PolarHBondContact SD-OG 3.39Å |
| 112 | W | 91.8 | Very high | 87.8 | Confident | 100 Ų | 100 | 85.8 Ų | 85.8 | 38% | 0.379 | 48% | 0.482 | S | S | . | . | trans | -153.5 | 158.4 | 179.6 | 62.8 | -84.5 | 0 | 0 | 0 | 109.6 | I101 V104 I109 L114 | I101-W112 HydrophobicContact CD1-CH2 3.16Å; I101-W112 HydrophobicContact CD1-CZ2 3.91Å; I101-W112 HydrophobicContact CD1-CZ3 3.59Å; V104-W112 HydrophobicContact CG1-CB 4.46Å; V104-W112 HydrophobicContact CG1-CD2 3.84Å; V104-W112 HydrophobicContact CG1-CG 3.66Å; V104-W112 HydrophobicContact CG1-CZ2 4.5Å; I109-W112 HydrophobicContact CG2-CB 4.23Å; W112-L114 HydrophobicContact CZ3-CB 4.28Å | ||
| 113 | T | 90.4 | Very high | 86.8 | Confident | 87 Ų | 87 | 84 Ų | 84 | 53% | 0.534 | 48% | 0.477 | S | S | . | . | trans | -140.8 | 156.9 | 171 | -168.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 114 | L | 89.8 | Confident | 85.4 | Confident | 47 Ų | 47 | 83 Ų | 83 | 25% | 0.246 | 48% | 0.475 | C | S | . | . | trans | -110 | 127.7 | 179.2 | 177.7 | 58.9 | 0 | 0 | 0 | 109.9 | I68 F97 W112 R116 | I68-L114 HydrophobicContact CD1-CD2 4.15Å; F97-L114 HydrophobicContact CD1-CD1 4.39Å; F97-L114 HydrophobicContact CD1-CD2 3.63Å; F97-L114 HydrophobicContact CD2-CD1 4.24Å; F97-L114 HydrophobicContact CE1-CB 4.42Å; F97-L114 HydrophobicContact CE1-CD1 3.67Å; F97-L114 HydrophobicContact CE1-CD2 3.48Å; F97-L114 VanDerWaalsContact CE1-CD2 3.48Å; F97-L114 HydrophobicContact CE1-CG 4.02Å; F97-L114 HydrophobicContact CE2-CD1 3.5Å; F97-L114 VanDerWaalsContact CE2-CD1 3.5Å; F97-L114 HydrophobicContact CE2-CD2 4.47Å; F97-L114 HydrophobicContact CG-CD2 4.23Å; F97-L114 HydrophobicContact CZ-CD1 3.2Å; F97-L114 HydrophobicContact CZ-CD2 3.96Å; F97-L114 HydrophobicContact CZ-CG 4.06Å; W112-L114 HydrophobicContact CZ3-CB 4.28Å; L114-R116 HydrophobicContact CD1-CG 3.61Å; L114-R116 HydrophobicContact CD2-CG 3.93Å; L114-R116 HydrophobicContact CG-CG 3.66Å | ||
| 115 | I | 92.6 | Very high | 84.2 | Confident | 51 Ų | 51 | 85.9 Ų | 85.9 | 26% | 0.262 | 49% | 0.494 | S | S | . | . | trans | -118.3 | 123 | 173 | -51.9 | 170.5 | 0 | 0 | 0 | 107.3 | A138 V141 M142 I145 | I115-A138 HydrophobicContact CG2-CB 4.1Å; I115-A138 WeakPolarHBondContact CG2-O 3.44Å; I115-V141 HydrophobicContact CG2-CB 3.97Å; I115-V141 HydrophobicContact CG2-CG1 3.79Å; I115-M142 HydrophobicContact CD1-CB 3.85Å; I115-M142 HydrophobicContact CD1-CG 4.26Å; I115-I145 HydrophobicContact CD1-CD1 3.71Å; I115-I145 HydrophobicContact CG1-CD1 4.36Å | ||
| 116 | R | 90.2 | Very high | 83.2 | Confident | 130 Ų | 130 | 87 Ų | 87 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | trans | -136.4 | 142.4 | -177 | -65.1 | -68 | -77.9 | 151.8 | -2 | 111.1 | D94 L114 | D94-R116 IonicContact OD2-CZ 2.7Å; D94-R116 VanDerWaalsContact OD2-CZ 3.26Å; D94-R116 IonicContact OD2-NE 2.86Å; D94-R116 PolarHBondContact OD2-NE 3.13Å; D94-R116 IonicContact OD2-NH2 3.73Å; D94-R116 PolarHBondContact OD2-NH2 2.93Å; L114-R116 HydrophobicContact CD1-CG 3.61Å; L114-R116 HydrophobicContact CD2-CG 3.93Å; L114-R116 HydrophobicContact CG-CG 3.66Å | ||
| 117 | G | 90 | Very high | 82.1 | Confident | 23 Ų | 23 | 85.1 Ų | 85.1 | 24% | 0.237 | 48% | 0.479 | C | S | . | . | trans | -84.6 | 139.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | A134 | G117-A134 VanDerWaalsContact CA-O 3.28Å; G117-A134 WeakPolarHBondContact CA-O 3.41Å | ||
| 118 | I | 87.7 | Confident | 81.3 | Confident | 107 Ų | 107 | 87.5 Ų | 87.5 | 55% | 0.549 | 48% | 0.484 | S | S | . | . | trans | -92.8 | 114.9 | 173.5 | -53.5 | -57.9 | 0 | 0 | 0 | 108.2 | A134 | I118-A134 WeakPolarHBondContact O-CB 3.46Š| ||
| 119 | A | 87.2 | Confident | 80.9 | Confident | 16 Ų | 16 | 82.7 Ų | 82.7 | 13% | 0.132 | 48% | 0.475 | C | S | . | . | trans | -119.3 | -17.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G127 W130 Q131 A134 | A119-G127 WeakPolarHBondContact O-CA 3.46Å; A119-G127 PolarHBondContact O-N 3.1Å; A119-W130 HydrophobicContact CB-CB 3.84Å; A119-Q131 HydrophobicContact CB-CB 4.35Å; A119-Q131 HydrophobicContact CB-CG 3.69Å; A119-A134 HydrophobicContact CB-CB 4.03Å | ||
| 120 | D | 80.8 | Confident | 80.7 | Confident | 80 Ų | 80 | 81.5 Ų | 81.5 | 43% | 0.428 | 47% | 0.465 | S | S | . | . | B | Isolated β-bridge | trans | -81.4 | 139.3 | 178 | -65 | -13 | 0 | 0 | 0 | 109.3 | T125 K126 | D120-T125 WeakPolarHBondContact CA-O 3.08Å; D120-K126 WeakPolarHBondContact OD1-CA 3.27Å |
| 121 | A | 67.2 | Low | 80.7 | Confident | 52 Ų | 52 | 82.6 Ų | 82.6 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | trans | -66 | 162.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | D123 G124 T125 | A121-D123 WeakPolarHBondContact CB-OD1 3.28Å; A121-D123 PolarHBondContact O-N 2.9Å; A121-D123 VanDerWaalsContact O-N 3.11Å; A121-G124 WeakPolarHBondContact O-CA 3.45Å; A121-G124 PolarHBondContact O-N 3.49Å; A121-T125 PolarHBondContact N-O 3.23Å | ||
| 122 | S | 65.7 | Low | 80.6 | Confident | 129 Ų | 129 | 79.8 Ų | 79.8 | 90% | 0.902 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.2 | -176.6 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | G124 | S122-G124 VanDerWaalsContact C-N 3.3Š|
| 123 | D | 66.3 | Low | 80.4 | Confident | 98 Ų | 98 | 76.2 Ų | 76.2 | 52% | 0.524 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -6.2 | 174.7 | 67.4 | -15 | 0 | 0 | 0 | 113.3 | A121 T125 | A121-D123 WeakPolarHBondContact CB-OD1 3.28Å; A121-D123 PolarHBondContact O-N 2.9Å; A121-D123 VanDerWaalsContact O-N 3.11Å; D123-T125 VanDerWaalsContact OD1-CB 3.28Å; D123-T125 WeakPolarHBondContact OD1-CB 3.36Å; D123-T125 PolarHBondContact OD1-N 2.88Å; D123-T125 PolarHBondContact OD1-OG1 3.25Å; D123-T125 PolarHBondContact OD2-OG1 3.33Å |
| 124 | G | 62.3 | Low | 80.4 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | trans | 87.6 | 7.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | A121 S122 K126 | A121-G124 WeakPolarHBondContact O-CA 3.45Å; A121-G124 PolarHBondContact O-N 3.49Å; S122-G124 VanDerWaalsContact C-N 3.3Å; G124-K126 PolarHBondContact O-N 2.9Å | ||
| 125 | T | 66.4 | Low | 80.5 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | trans | -66.5 | 124.3 | 173.2 | -61.5 | 0 | 0 | 0 | 0 | 109.3 | D120 A121 D123 G127 | D120-T125 WeakPolarHBondContact CA-O 3.08Å; A121-T125 PolarHBondContact N-O 3.23Å; D123-T125 VanDerWaalsContact OD1-CB 3.28Å; D123-T125 WeakPolarHBondContact OD1-CB 3.36Å; D123-T125 PolarHBondContact OD1-N 2.88Å; D123-T125 PolarHBondContact OD1-OG1 3.25Å; D123-T125 PolarHBondContact OD2-OG1 3.33Å; T125-G127 PolarHBondContact O-N 3.08Å; T125-G127 VanDerWaalsContact O-N 3.15Å | ||
| 126 | K | 67.8 | Low | 80.4 | Confident | 160 Ų | 160 | 70.5 Ų | 70.5 | 70% | 0.696 | 39% | 0.393 | S | S | * | . | B | Isolated β-bridge | trans | -73.8 | 105.6 | -177.3 | -64.3 | -174.7 | 179.4 | -175.1 | 0 | 110.5 | D120 G124 K128 | D120-K126 WeakPolarHBondContact OD1-CA 3.27Å; G124-K126 PolarHBondContact O-N 2.9Å; K126-K128 PolarHBondContact O-N 2.9Å |
| 127 | G | 70.3 | Confident | 80.4 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | trans | -82.3 | 86.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | A119 T125 D129 W130 Q131 | A119-G127 WeakPolarHBondContact O-CA 3.46Å; A119-G127 PolarHBondContact O-N 3.1Å; T125-G127 PolarHBondContact O-N 3.08Å; T125-G127 VanDerWaalsContact O-N 3.15Å; G127-D129 PolarHBondContact O-N 2.76Å; G127-W130 PolarHBondContact O-N 2.92Å; G127-Q131 PolarHBondContact O-N 2.77Å | ||
| 128 | K | 77.8 | Confident | 80.5 | Confident | 161 Ų | 161 | 65.3 Ų | 65.3 | 70% | 0.7 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -40.8 | 177.2 | -75.1 | -172.5 | 178.3 | -177.6 | 0 | 112 | K126 W130 Q131 P132 | K126-K128 PolarHBondContact O-N 2.9Å; K128-W130 PolarHBondContact O-N 2.86Å; K128-Q131 WeakPolarHBondContact O-CB 3.14Å; K128-Q131 PolarHBondContact O-N 3.15Å; K128-Q131 VanDerWaalsContact O-N 3.09Å; K128-P132 WeakPolarHBondContact O-CD 3.12Å |
| 129 | D | 83.2 | Confident | 80.8 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 67% | 0.674 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.5 | -178.8 | -54 | -18.8 | 0 | 0 | 0 | 112.5 | P40 G127 P132 | P40-D129 HydrophobicContact CB-CB 4.41Å; P40-D129 HydrophobicContact CG-CB 4.27Å; P40-D129 WeakPolarHBondContact CG-O 3.2Å; G127-D129 PolarHBondContact O-N 2.76Å; D129-P132 WeakPolarHBondContact O-CD 3.2Å |
| 130 | W | 87.1 | Confident | 81 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -79.9 | -16.6 | 176.6 | -77.1 | 83.5 | 0 | 0 | 0 | 113.1 | R39 P40 V42 A119 G127 K128 Y133 A134 | R39-W130 HydrophobicContact CG-CH2 3.86Å; R39-W130 HydrophobicContact CG-CZ3 3.99Å; P40-W130 HydrophobicContact CB-CD2 4.25Å; P40-W130 HydrophobicContact CB-CG 4.35Å; P40-W130 HydrophobicContact CB-CZ2 4.26Å; P40-W130 HydrophobicContact CG-CB 4.41Å; P40-W130 HydrophobicContact CG-CD2 3.85Å; P40-W130 HydrophobicContact CG-CE3 4.41Å; P40-W130 HydrophobicContact CG-CG 3.84Å; P40-W130 WeakPolarHBondContact O-CH2 3.48Å; P40-W130 WeakPolarHBondContact O-CZ2 3.28Å; V42-W130 HydrophobicContact CG2-CZ2 4.4Å; A119-W130 HydrophobicContact CB-CB 3.84Å; G127-W130 PolarHBondContact O-N 2.92Å; K128-W130 PolarHBondContact O-N 2.86Å; W130-Y133 AromaticContact CE3-CD1 3.87Å; W130-Y133 HydrophobicContact CE3-CD1 3.87Å; W130-Y133 HydrophobicContact CE3-CE1 4.34Å; W130-Y133 AromaticContact CZ3-CD1 3.9Å; W130-Y133 HydrophobicContact CZ3-CD1 3.9Å; W130-Y133 AromaticContact CZ3-CE1 3.94Å; W130-Y133 HydrophobicContact CZ3-CE1 3.94Å; W130-A134 WeakPolarHBondContact O-CB 3.23Å; W130-A134 PolarHBondContact O-N 3.33Å |
| 131 | Q | 88.8 | Confident | 81.5 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | -174.9 | -65.7 | 178.1 | 6.9 | 0 | 0 | 113.5 | A119 G127 K128 A134 A135 | A119-Q131 HydrophobicContact CB-CB 4.35Å; A119-Q131 HydrophobicContact CB-CG 3.69Å; G127-Q131 PolarHBondContact O-N 2.77Å; K128-Q131 WeakPolarHBondContact O-CB 3.14Å; K128-Q131 PolarHBondContact O-N 3.15Å; K128-Q131 VanDerWaalsContact O-N 3.09Å; Q131-A134 PolarHBondContact O-N 2.93Å; Q131-A135 WeakPolarHBondContact O-CB 3.35Å; Q131-A135 PolarHBondContact O-N 3.43Å |
| 132 | P | 89.1 | Confident | 82.7 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -49.6 | 178 | -21.7 | 33.2 | 0 | 0 | 0 | 111.8 | F35 S36 F37 K128 D129 A134 A135 L136 | F35-P132 HydrophobicContact CB-CB 4.23Å; F35-P132 HydrophobicContact CB-CG 4.09Å; F35-P132 HydrophobicContact CD1-CG 4Å; F35-P132 HydrophobicContact CG-CG 4.43Å; S36-P132 WeakPolarHBondContact O-CB 3.41Å; F37-P132 HydrophobicContact CD1-CB 3.74Å; F37-P132 WeakPolarHBondContact CD1-O 3.45Å; F37-P132 HydrophobicContact CE1-CB 3.82Å; F37-P132 HydrophobicContact CG-CB 4.24Å; F37-P132 HydrophobicContact CZ-CB 4.38Å; K128-P132 WeakPolarHBondContact O-CD 3.12Å; D129-P132 WeakPolarHBondContact O-CD 3.2Å; P132-A134 PolarHBondContact O-N 3.15Å; P132-A135 PolarHBondContact O-N 3.46Å; P132-L136 WeakPolarHBondContact O-CB 3.47Å; P132-L136 PolarHBondContact O-N 2.85Å |
| 133 | Y | 88.2 | Confident | 84 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.3 | -49 | 176.7 | 174.1 | -106.6 | 0 | 0 | 0 | 111.8 | F37 R39 S61 W130 A135 L136 Q137 | F37-Y133 WeakPolarHBondContact O-CD2 3.33Å; R39-Y133 HydrophobicContact CB-CD1 4.48Å; R39-Y133 HydrophobicContact CB-CD2 4.02Å; R39-Y133 HydrophobicContact CB-CE1 4.22Å; R39-Y133 HydrophobicContact CB-CE2 3.75Å; R39-Y133 HydrophobicContact CB-CG 4.37Å; R39-Y133 HydrophobicContact CG-CD1 4.36Å; R39-Y133 HydrophobicContact CG-CE1 3.94Å; R39-Y133 HydrophobicContact CG-CE2 4.34Å; S61-Y133 PolarHBondContact OG-OH 3.36Å; S61-Y133 VanDerWaalsContact OG-OH 3.06Å; W130-Y133 AromaticContact CE3-CD1 3.87Å; W130-Y133 HydrophobicContact CE3-CD1 3.87Å; W130-Y133 HydrophobicContact CE3-CE1 4.34Å; W130-Y133 AromaticContact CZ3-CD1 3.9Å; W130-Y133 HydrophobicContact CZ3-CD1 3.9Å; W130-Y133 AromaticContact CZ3-CE1 3.94Å; W130-Y133 HydrophobicContact CZ3-CE1 3.94Å; Y133-A135 VanDerWaalsContact C-N 3.33Å; Y133-A135 PolarHBondContact O-N 3.11Å; Y133-L136 WeakPolarHBondContact O-CB 3.21Å; Y133-L136 PolarHBondContact O-N 3.44Å; Y133-Q137 HydrophobicContact CD1-CG 4.46Å; Y133-Q137 HydrophobicContact CD2-CG 4.49Å; Y133-Q137 HydrophobicContact CE1-CG 4.07Å; Y133-Q137 HydrophobicContact CE2-CG 4.1Å; Y133-Q137 VanDerWaalsContact CE2-OE1 3.3Å; Y133-Q137 WeakPolarHBondContact O-CG 3.49Å; Y133-Q137 PolarHBondContact O-N 3.45Å |
| 134 | A | 90.3 | Very high | 85.1 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G117 I118 A119 W130 Q131 P132 Q137 A138 | G117-A134 VanDerWaalsContact CA-O 3.28Å; G117-A134 WeakPolarHBondContact CA-O 3.41Å; I118-A134 WeakPolarHBondContact O-CB 3.46Å; A119-A134 HydrophobicContact CB-CB 4.03Å; W130-A134 WeakPolarHBondContact O-CB 3.23Å; W130-A134 PolarHBondContact O-N 3.33Å; Q131-A134 PolarHBondContact O-N 2.93Å; P132-A134 PolarHBondContact O-N 3.15Å; A134-Q137 PolarHBondContact O-N 3.09Å; A134-A138 PolarHBondContact O-N 2.79Å |
| 135 | A | 90.7 | Very high | 86.5 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 46% | 0.463 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q131 P132 Y133 A138 A139 | Q131-A135 WeakPolarHBondContact O-CB 3.35Å; Q131-A135 PolarHBondContact O-N 3.43Å; P132-A135 PolarHBondContact O-N 3.46Å; Y133-A135 VanDerWaalsContact C-N 3.33Å; Y133-A135 PolarHBondContact O-N 3.11Å; A135-A138 WeakPolarHBondContact O-CB 3.48Å; A135-A138 PolarHBondContact O-N 3.34Å; A135-A139 PolarHBondContact O-N 3.12Å |
| 136 | L | 91.1 | Very high | 87.7 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 173.2 | 167.8 | 74.6 | 0 | 0 | 0 | 111.6 | C22 L23 I26 F37 P132 Y133 A138 A139 A140 | C22-L136 HydrophobicContact CB-CD1 3.56Å; C22-L136 VanDerWaalsContact SG-CD1 3.51Å; L23-L136 HydrophobicContact CD1-CD2 3.79Å; L23-L136 HydrophobicContact CD2-CD2 3.38Å; L23-L136 HydrophobicContact CG-CD1 4.19Å; L23-L136 HydrophobicContact CG-CD2 3.34Å; L23-L136 HydrophobicContact CG-CG 4.37Å; I26-L136 HydrophobicContact CD1-CD1 4.14Å; F37-L136 HydrophobicContact CB-CD2 3.98Å; F37-L136 HydrophobicContact CD1-CB 3.8Å; F37-L136 HydrophobicContact CD1-CD2 4.46Å; F37-L136 HydrophobicContact CE1-CB 4.44Å; P132-L136 WeakPolarHBondContact O-CB 3.47Å; P132-L136 PolarHBondContact O-N 2.85Å; Y133-L136 WeakPolarHBondContact O-CB 3.21Å; Y133-L136 PolarHBondContact O-N 3.44Å; L136-A138 VanDerWaalsContact C-N 3.29Å; L136-A138 PolarHBondContact O-N 3.25Å; L136-A139 WeakPolarHBondContact O-CB 3.21Å; L136-A139 PolarHBondContact O-N 3.47Å; L136-A139 VanDerWaalsContact O-N 3.13Å; L136-A140 PolarHBondContact O-N 2.92Å |
| 137 | Q | 90.4 | Very high | 88.8 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 177.1 | -66.1 | -51.9 | 131.8 | 0 | 0 | 111.5 | S19 S61 Y133 A134 A139 A140 V141 | S19-Q137 PolarHBondContact OG-OE1 3.5Å; S61-Q137 VanDerWaalsContact CB-NE2 3.31Å; S61-Q137 PolarHBondContact OG-NE2 2.94Å; Y133-Q137 HydrophobicContact CD1-CG 4.46Å; Y133-Q137 HydrophobicContact CD2-CG 4.49Å; Y133-Q137 HydrophobicContact CE1-CG 4.07Å; Y133-Q137 HydrophobicContact CE2-CG 4.1Å; Y133-Q137 VanDerWaalsContact CE2-OE1 3.3Å; Y133-Q137 WeakPolarHBondContact O-CG 3.49Å; Y133-Q137 PolarHBondContact O-N 3.45Å; A134-Q137 PolarHBondContact O-N 3.09Å; Q137-A139 VanDerWaalsContact C-N 3.35Å; Q137-A140 PolarHBondContact O-N 3.25Å; Q137-V141 WeakPolarHBondContact O-CG2 3.24Å; Q137-V141 PolarHBondContact O-N 2.87Å |
| 138 | A | 93.1 | Very high | 89.6 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I115 A134 A135 L136 V141 M142 | I115-A138 HydrophobicContact CG2-CB 4.1Å; I115-A138 WeakPolarHBondContact CG2-O 3.44Å; A134-A138 PolarHBondContact O-N 2.79Å; A135-A138 WeakPolarHBondContact O-CB 3.48Å; A135-A138 PolarHBondContact O-N 3.34Å; L136-A138 VanDerWaalsContact C-N 3.29Å; L136-A138 PolarHBondContact O-N 3.25Å; A138-V141 PolarHBondContact O-N 3.48Å; A138-M142 PolarHBondContact O-N 3.04Å |
| 139 | A | 92.9 | Very high | 90 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A135 L136 Q137 V141 M142 K143 | A135-A139 PolarHBondContact O-N 3.12Å; L136-A139 WeakPolarHBondContact O-CB 3.21Å; L136-A139 PolarHBondContact O-N 3.47Å; L136-A139 VanDerWaalsContact O-N 3.13Å; Q137-A139 VanDerWaalsContact C-N 3.35Å; A139-V141 VanDerWaalsContact C-N 3.34Å; A139-V141 PolarHBondContact O-N 3.49Å; A139-M142 WeakPolarHBondContact O-CB 3.36Å; A139-M142 PolarHBondContact O-N 2.95Å; A139-K143 PolarHBondContact O-N 3.43Å |
| 140 | A | 91.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | W15 F18 L136 Q137 M142 K143 A144 | W15-A140 WeakPolarHBondContact CZ3-O 2.96Å; F18-A140 HydrophobicContact CB-CB 4.12Å; L136-A140 PolarHBondContact O-N 2.92Å; Q137-A140 PolarHBondContact O-N 3.25Å; A140-M142 VanDerWaalsContact C-N 3.31Å; A140-M142 PolarHBondContact O-N 2.92Å; A140-K143 PolarHBondContact O-N 3.17Å; A140-A144 PolarHBondContact O-N 3.24Å |
| 141 | V | 90.8 | Very high | 90.2 | Very high | 20 Ų | 20 | 59 Ų | 59 | 12% | 0.121 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 174 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | W15 L63 I115 Q137 A138 A139 I145 | W15-V141 HydrophobicContact CD2-CG2 4.43Å; W15-V141 HydrophobicContact CE3-CB 4.36Å; W15-V141 HydrophobicContact CE3-CG2 4.39Å; W15-V141 WeakPolarHBondContact CH2-O 3.41Å; W15-V141 VanDerWaalsContact CZ3-C 3.45Å; W15-V141 HydrophobicContact CZ3-CB 4.41Å; W15-V141 HydrophobicContact CZ3-CG1 4.44Å; W15-V141 WeakPolarHBondContact CZ3-O 3.36Å; L63-V141 HydrophobicContact CD1-CG1 4.18Å; L63-V141 HydrophobicContact CD1-CG2 4.26Å; I115-V141 HydrophobicContact CG2-CB 3.97Å; I115-V141 HydrophobicContact CG2-CG1 3.79Å; Q137-V141 WeakPolarHBondContact O-CG2 3.24Å; Q137-V141 PolarHBondContact O-N 2.87Å; A138-V141 PolarHBondContact O-N 3.48Å; A139-V141 VanDerWaalsContact C-N 3.34Å; A139-V141 PolarHBondContact O-N 3.49Å; V141-I145 HydrophobicContact CG1-CD1 4.04Å; V141-I145 VanDerWaalsContact O-CG1 3.25Å; V141-I145 WeakPolarHBondContact O-CG1 3.37Å; V141-I145 PolarHBondContact O-N 3.41Å |
| 142 | M | 93.6 | Very high | 90.3 | Very high | 106 Ų | 106 | 57.1 Ų | 57.1 | 52% | 0.522 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 173.6 | -178.4 | 176.7 | 174.8 | 0 | 0 | 111.5 | I115 A138 A139 A140 A144 I145 I146 | I115-M142 HydrophobicContact CD1-CB 3.85Å; I115-M142 HydrophobicContact CD1-CG 4.26Å; A138-M142 PolarHBondContact O-N 3.04Å; A139-M142 WeakPolarHBondContact O-CB 3.36Å; A139-M142 PolarHBondContact O-N 2.95Å; A140-M142 VanDerWaalsContact C-N 3.31Å; A140-M142 PolarHBondContact O-N 2.92Å; M142-A144 PolarHBondContact O-N 3.46Å; M142-I145 PolarHBondContact O-N 3.03Å; M142-I146 HydrophobicContact CE-CD1 3.76Å; M142-I146 HydrophobicContact CG-CD1 3.82Å; M142-I146 WeakPolarHBondContact O-CG1 3.47Å; M142-I146 PolarHBondContact O-N 3.3Å |
| 143 | K | 91.9 | Very high | 90.4 | Very high | 78 Ų | 78 | 59.3 Ų | 59.3 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.8 | -53.1 | -177.2 | -177.3 | 176.5 | 175.9 | -166.9 | 0 | 111.6 | F18 D21 A139 A140 I145 I146 L147 | F18-K143 HydrophobicContact CB-CD 4.18Å; F18-K143 HydrophobicContact CD1-CD 3.55Å; F18-K143 HydrophobicContact CD1-CG 3.83Å; F18-K143 HydrophobicContact CE1-CD 4.37Å; F18-K143 HydrophobicContact CE1-CG 4.38Å; F18-K143 HydrophobicContact CG-CD 4.23Å; F18-K143 HydrophobicContact CG-CG 4.39Å; D21-K143 IonicContact OD2-NZ 3.1Å; D21-K143 PolarHBondContact OD2-NZ 3.04Å; A139-K143 PolarHBondContact O-N 3.43Å; A140-K143 PolarHBondContact O-N 3.17Å; K143-I145 PolarHBondContact O-N 3.07Å; K143-I146 PolarHBondContact O-N 3.5Å; K143-L147 HydrophobicContact CG-CD1 3.98Å; K143-L147 WeakPolarHBondContact O-CG 3.41Å; K143-L147 PolarHBondContact O-N 3.16Å |
| 144 | A | 90.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -76.7 | -18.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A13 W15 F18 A140 M142 I146 K148 | A13-A144 HydrophobicContact CB-CB 4.04Å; W15-A144 HydrophobicContact CD2-CB 4.13Å; W15-A144 HydrophobicContact CE3-CB 3.25Å; W15-A144 VanDerWaalsContact CH2-C 3.41Å; W15-A144 HydrophobicContact CH2-CB 3.39Å; W15-A144 HydrophobicContact CZ2-CB 4.21Å; W15-A144 VanDerWaalsContact CZ3-C 3.41Å; W15-A144 HydrophobicContact CZ3-CB 2.86Å; F18-A144 HydrophobicContact CD2-CB 3.27Å; F18-A144 HydrophobicContact CE1-CB 4.45Å; F18-A144 HydrophobicContact CE2-CB 3.09Å; F18-A144 HydrophobicContact CG-CB 4.07Å; F18-A144 HydrophobicContact CZ-CB 3.71Å; A140-A144 PolarHBondContact O-N 3.24Å; M142-A144 PolarHBondContact O-N 3.46Å; A144-I146 VanDerWaalsContact C-N 3.35Å; A144-K148 VanDerWaalsContact O-CB 3.32Å; A144-K148 WeakPolarHBondContact O-CB 3.2Å; A144-K148 VanDerWaalsContact O-CG 3.23Å; A144-K148 WeakPolarHBondContact O-CG 3.36Å; A144-K148 PolarHBondContact O-N 3.17Å; A144-K148 VanDerWaalsContact O-N 3.14Å |
| 145 | I | 90.1 | Very high | 90.5 | Very high | 65 Ų | 65 | 64.8 Ų | 64.8 | 33% | 0.333 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.6 | -51.7 | 167.5 | -73.6 | 171.6 | 0 | 0 | 0 | 107.6 | W15 I115 V141 M142 K143 L147 K148 L149 | W15-I145 HydrophobicContact CH2-CB 4.45Å; W15-I145 HydrophobicContact CH2-CG1 3.7Å; W15-I145 VanDerWaalsContact CH2-N 3.27Å; W15-I145 HydrophobicContact CZ3-CG1 4.36Å; W15-I145 VanDerWaalsContact CZ3-N 3.33Å; I115-I145 HydrophobicContact CD1-CD1 3.71Å; I115-I145 HydrophobicContact CG1-CD1 4.36Å; V141-I145 HydrophobicContact CG1-CD1 4.04Å; V141-I145 VanDerWaalsContact O-CG1 3.25Å; V141-I145 WeakPolarHBondContact O-CG1 3.37Å; V141-I145 PolarHBondContact O-N 3.41Å; M142-I145 PolarHBondContact O-N 3.03Å; K143-I145 PolarHBondContact O-N 3.07Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 3.04Å; I145-K148 CarbonylContact O-C 3.55Å; I145-K148 PolarHBondContact O-N 3.06Å; I145-L149 WeakPolarHBondContact O-CG 3.44Å; I145-L149 PolarHBondContact O-N 3.38Å |
| 146 | I | 92.7 | Very high | 90.5 | Very high | 92 Ų | 92 | 65.4 Ų | 65.4 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.3 | -46.1 | -179.9 | -68.9 | 169.9 | 0 | 0 | 0 | 111.4 | M142 K143 A144 K148 L149 | M142-I146 HydrophobicContact CE-CD1 3.76Å; M142-I146 HydrophobicContact CG-CD1 3.82Å; M142-I146 WeakPolarHBondContact O-CG1 3.47Å; M142-I146 PolarHBondContact O-N 3.3Å; K143-I146 PolarHBondContact O-N 3.5Å; A144-I146 VanDerWaalsContact C-N 3.35Å; I146-K148 PolarHBondContact O-N 2.71Å; I146-L149 WeakPolarHBondContact O-CB 3.05Å; I146-L149 PolarHBondContact O-N 3.25Å |
| 147 | L | 90.2 | Very high | 90.5 | Very high | 106 Ų | 106 | 69.9 Ų | 69.9 | 56% | 0.555 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.3 | -14.8 | -179.8 | -67 | 173.6 | 0 | 0 | 0 | 114.2 | F18 K143 I145 | F18-L147 HydrophobicContact CD1-CD1 4.15Å; F18-L147 HydrophobicContact CE1-CD1 3.29Å; F18-L147 HydrophobicContact CZ-CD1 3.76Å; K143-L147 HydrophobicContact CG-CD1 3.98Å; K143-L147 WeakPolarHBondContact O-CG 3.41Å; K143-L147 PolarHBondContact O-N 3.16Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 3.04Å |
| 148 | K | 87.2 | Confident | 90.5 | Very high | 110 Ų | 110 | 73 Ų | 73 | 48% | 0.478 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 3.6 | 176.1 | -65.1 | -67.4 | -168.1 | 176.1 | 0 | 112.4 | D11 A144 I145 I146 | D11-K148 IonicContact OD1-NZ 2.79Å; D11-K148 PolarHBondContact OD1-NZ 3.1Å; D11-K148 VanDerWaalsContact OD1-NZ 3.1Å; D11-K148 IonicContact OD2-NZ 3.26Å; D11-K148 PolarHBondContact OD2-NZ 2.87Å; A144-K148 VanDerWaalsContact O-CB 3.32Å; A144-K148 WeakPolarHBondContact O-CB 3.2Å; A144-K148 VanDerWaalsContact O-CG 3.23Å; A144-K148 WeakPolarHBondContact O-CG 3.36Å; A144-K148 PolarHBondContact O-N 3.17Å; A144-K148 VanDerWaalsContact O-N 3.14Å; I145-K148 CarbonylContact O-C 3.55Å; I145-K148 PolarHBondContact O-N 3.06Å; I146-K148 PolarHBondContact O-N 2.71Å |
| 149 | L | 86.9 | Confident | 90.3 | Very high | 114 Ų | 114 | 77.8 Ų | 77.8 | 60% | 0.597 | 42% | 0.422 | S | S | * | . | trans | -70.6 | 137.5 | 167.6 | -69.2 | 176.5 | 0 | 0 | 0 | 109 | I145 I146 | I145-L149 WeakPolarHBondContact O-CG 3.44Å; I145-L149 PolarHBondContact O-N 3.38Å; I146-L149 WeakPolarHBondContact O-CB 3.05Å; I146-L149 PolarHBondContact O-N 3.25Å | ||
| 150 | P | 84.6 | Confident | 90 | Very high | 197 Ų | 197 | 80.9 Ų | 80.9 | 100% | 1.279 | 43% | 0.428 | S | S | * | . | trans | -69.3 | 0 | -179 | 29.4 | -35.1 | 0 | 0 | 0 | 113.6 |
Retrieved 150 of 150 residues in 816.6 ms
(Link to these results)