| 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 | 61.5 | Low | 82.9 | Confident | 147 Ų | 147 | 70.5 Ų | 70.5 | 72% | 0.724 | 38% | 0.381 | S | S | * | . | 0 | 138.7 | 0 | -161.5 | 171.3 | -74.7 | 0 | 0 | 108.9 | T14 F15 | M1-T14 HydrophobicContact CE-CG2 4.24Å; M1-T14 WeakPolarHBondContact CE-OG1 3.47Å; M1-T14 PolarHBondContact SD-OG1 2.87Å; M1-T14 VanDerWaalsContact SD-OG1 3.33Å; M1-F15 VanDerWaalsContact SD-CA 3.56Å; M1-F15 HydrophobicContact SD-CB 4.45Å; M1-F15 PolarHBondContact SD-N 3.16Å; M1-F15 VanDerWaalsContact SD-N 3.4Å | |||
| 2 | S | 78.5 | Confident | 83.4 | Confident | 96 Ų | 96 | 69.8 Ų | 69.8 | 67% | 0.671 | 38% | 0.378 | S | S | * | . | trans | -111.8 | 155.1 | 177.2 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | L | 83.1 | Confident | 83.9 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 148.4 | 166 | -64.5 | 179.2 | 0 | 0 | 0 | 109.5 | K18 V19 Y23 M153 | L3-K18 HydrophobicContact CD2-CB 4.2Å; L3-K18 HydrophobicContact CD2-CG 4.02Å; L3-K18 HydrophobicContact CG-CG 4.24Å; L3-V19 HydrophobicContact CD2-CB 4.47Å; L3-V19 HydrophobicContact CD2-CG2 3.53Å; L3-Y23 HydrophobicContact CD1-CE2 4.31Å; L3-M153 HydrophobicContact CB-CE 4.49Å; L3-M153 HydrophobicContact CD1-CE 4.49Å; L3-M153 HydrophobicContact CD2-CE 4.22Å |
| 4 | P | 82.2 | Confident | 84.5 | Confident | 24 Ų | 24 | 65.7 Ų | 65.7 | 16% | 0.156 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 140 | 178.4 | 25.2 | -32.9 | 0 | 0 | 0 | 111 | A10 F15 H133 M153 | P4-A10 HydrophobicContact CB-CB 4.42Å; P4-F15 HydrophobicContact CG-CD2 4.15Å; P4-F15 HydrophobicContact CG-CE2 4.16Å; P4-H133 VanDerWaalsContact CG-CE1 3.49Å; P4-H133 WeakPolarHBondContact CG-CE1 3.21Å; P4-H133 WeakPolarHBondContact CG-ND1 3.17Å; P4-M153 HydrophobicContact CG-CE 4.33Å |
| 5 | E | 85.1 | Confident | 85.1 | Confident | 119 Ų | 119 | 61.9 Ų | 61.9 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 144.9 | 169.2 | -65.2 | 179.5 | 173.5 | 0 | 0 | 109.8 | G7 R8 | E5-G7 PolarHBondContact O-N 3.39Å; E5-R8 HydrophobicContact CB-CG 4.15Å; E5-R8 WeakPolarHBondContact O-CB 3.5Å; E5-R8 PolarHBondContact O-N 2.86Å; E5-R8 IonicContact OE2-CZ 3.42Å; E5-R8 IonicContact OE2-NE 3.43Å; E5-R8 PolarHBondContact OE2-NE 2.88Å; E5-R8 IonicContact OE2-NH2 3.25Å; E5-R8 PolarHBondContact OE2-NH2 3.15Å |
| 6 | V | 84.6 | Confident | 85.7 | Confident | 38 Ų | 38 | 58 Ų | 58 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 131.4 | 173.8 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | R8 F136 L150 H152 | V6-R8 VanDerWaalsContact C-N 3.35Å; V6-F136 HydrophobicContact CG1-CE1 4.26Å; V6-F136 HydrophobicContact CG1-CZ 3.85Å; V6-L150 HydrophobicContact CG1-CD2 3.98Å; V6-H152 HydrophobicContact CG2-CB 4.29Å; V6-H152 WeakPolarHBondContact CG2-ND1 3.49Å |
| 7 | G | 84.6 | Confident | 86.1 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | 92.3 | -17.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E5 S134 F136 | E5-G7 PolarHBondContact O-N 3.39Å; G7-S134 PolarHBondContact N-O 2.75Å; G7-F136 VanDerWaalsContact CA-CE2 3.47Å |
| 8 | R | 88.5 | Confident | 86.4 | Confident | 160 Ų | 160 | 57.1 Ų | 57.1 | 60% | 0.604 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -97.9 | 144.3 | 179 | -60.9 | -166.6 | -169.8 | -114.9 | 5.2 | 112 | E5 V6 H133 | E5-R8 HydrophobicContact CB-CG 4.15Å; E5-R8 WeakPolarHBondContact O-CB 3.5Å; E5-R8 PolarHBondContact O-N 2.86Å; E5-R8 IonicContact OE2-CZ 3.42Å; E5-R8 IonicContact OE2-NE 3.43Å; E5-R8 PolarHBondContact OE2-NE 2.88Å; E5-R8 IonicContact OE2-NH2 3.25Å; E5-R8 PolarHBondContact OE2-NH2 3.15Å; V6-R8 VanDerWaalsContact C-N 3.35Å; R8-H133 PolarHBondContact O-CD2 2.99Å; R8-H133 PolarHBondContact O-NE2 3.08Å |
| 9 | I | 91.1 | Very high | 86.7 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 134.2 | 174.3 | -63.8 | -69.1 | 0 | 0 | 0 | 110.3 | V93 I99 Q118 V135 L232 W234 L237 | I9-V93 HydrophobicContact CG2-CG1 3.59Å; I9-I99 HydrophobicContact CD1-CD1 3.75Å; I9-I99 HydrophobicContact CD1-CG1 4.42Å; I9-Q118 VanDerWaalsContact CA-OE1 3.32Å; I9-V135 HydrophobicContact CD1-CB 4.41Å; I9-V135 HydrophobicContact CD1-CG1 3.92Å; I9-L232 HydrophobicContact CD1-CD2 4.18Å; I9-L232 HydrophobicContact CG1-CD2 4.27Å; I9-W234 HydrophobicContact CB-CH2 4.3Å; I9-W234 HydrophobicContact CB-CZ3 3.98Å; I9-W234 HydrophobicContact CG1-CZ3 4.04Å; I9-W234 HydrophobicContact CG2-CH2 3.9Å; I9-W234 HydrophobicContact CG2-CZ3 4.08Å; I9-L237 HydrophobicContact CD1-CD1 4.07Å; I9-L237 HydrophobicContact CD1-CD2 4.26Å; I9-L237 HydrophobicContact CG1-CD1 3.43Å; I9-L237 VanDerWaalsContact CG1-CD1 3.43Å; I9-L237 HydrophobicContact CG1-CD2 4.45Å |
| 10 | A | 89.6 | Confident | 86.9 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 124.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109 | P4 F15 Q118 | P4-A10 HydrophobicContact CB-CB 4.42Å; A10-F15 HydrophobicContact CB-CD1 3.55Å; A10-F15 HydrophobicContact CB-CE1 3.38Å; A10-F15 HydrophobicContact CB-CG 4.34Å; A10-F15 HydrophobicContact CB-CZ 4.06Å; A10-Q118 PolarHBondContact O-NE2 3.01Å |
| 11 | S | 82.8 | Confident | 87.1 | Confident | 89 Ų | 89 | 54 Ų | 54 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | trans | -74.6 | -26.2 | -172.7 | 49.4 | 0 | 0 | 0 | 0 | 114.3 | H94 | S11-H94 PolarHBondContact O-CD2 3.35Š| ||
| 12 | D | 88.5 | Confident | 88.4 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 34% | 0.337 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -153 | -176.7 | -175.7 | 59.2 | 52 | 0 | 0 | 0 | 110.9 | T14 F15 | D12-T14 VanDerWaalsContact C-N 3.32Å; D12-T14 PolarHBondContact O-N 3.44Å; D12-T14 WeakPolarHBondContact OD1-CB 3.43Å; D12-T14 WeakPolarHBondContact OD1-CG2 3.46Å; D12-T14 PolarHBondContact OD1-N 3.4Å; D12-T14 PolarHBondContact OD1-OG1 3.09Å; D12-F15 VanDerWaalsContact O-CD1 3.27Å; D12-F15 WeakPolarHBondContact O-CD1 3.38Å |
| 13 | T | 91 | Very high | 88.8 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -82.4 | -3.2 | -177.2 | 59.8 | 0 | 0 | 0 | 0 | 114.2 | F15 L16 Q96 T120 E122 | T13-F15 VanDerWaalsContact C-N 3.28Å; T13-F15 PolarHBondContact O-N 2.85Å; T13-L16 VanDerWaalsContact O-CB 3.25Å; T13-L16 WeakPolarHBondContact O-CB 3.32Å; T13-L16 VanDerWaalsContact O-CG 3.31Å; T13-L16 WeakPolarHBondContact O-CG 3.3Å; T13-L16 PolarHBondContact O-N 2.89Å; T13-Q96 HydrophobicContact CG2-CB 4Å; T13-T120 HydrophobicContact CG2-CG2 3.85Å; T13-E122 HydrophobicContact CG2-CB 4.34Å; T13-E122 PolarHBondContact OG1-OE2 2.95Å; T13-E122 VanDerWaalsContact OG1-OE2 3.13Å |
| 14 | T | 91.4 | Very high | 89.1 | Confident | 58 Ų | 58 | 46.2 Ų | 46.2 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.3 | -169.9 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | M1 D12 L16 L17 | M1-T14 HydrophobicContact CE-CG2 4.24Å; M1-T14 WeakPolarHBondContact CE-OG1 3.47Å; M1-T14 PolarHBondContact SD-OG1 2.87Å; M1-T14 VanDerWaalsContact SD-OG1 3.33Å; D12-T14 VanDerWaalsContact C-N 3.32Å; D12-T14 PolarHBondContact O-N 3.44Å; D12-T14 WeakPolarHBondContact OD1-CB 3.43Å; D12-T14 WeakPolarHBondContact OD1-CG2 3.46Å; D12-T14 PolarHBondContact OD1-N 3.4Å; D12-T14 PolarHBondContact OD1-OG1 3.09Å; T14-L16 PolarHBondContact O-N 3.42Å; T14-L16 VanDerWaalsContact O-N 3.11Å; T14-L17 PolarHBondContact O-N 3.32Å; T14-L17 VanDerWaalsContact O-N 3.13Å |
| 15 | F | 93.9 | Very high | 89.1 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -20 | 177.9 | 82.1 | -84 | 0 | 0 | 0 | 113.2 | M1 P4 A10 D12 T13 L17 K18 V19 T120 A131 | M1-F15 VanDerWaalsContact SD-CA 3.56Å; M1-F15 HydrophobicContact SD-CB 4.45Å; M1-F15 PolarHBondContact SD-N 3.16Å; M1-F15 VanDerWaalsContact SD-N 3.4Å; P4-F15 HydrophobicContact CG-CD2 4.15Å; P4-F15 HydrophobicContact CG-CE2 4.16Å; A10-F15 HydrophobicContact CB-CD1 3.55Å; A10-F15 HydrophobicContact CB-CE1 3.38Å; A10-F15 HydrophobicContact CB-CG 4.34Å; A10-F15 HydrophobicContact CB-CZ 4.06Å; D12-F15 VanDerWaalsContact O-CD1 3.27Å; D12-F15 WeakPolarHBondContact O-CD1 3.38Å; T13-F15 VanDerWaalsContact C-N 3.28Å; T13-F15 PolarHBondContact O-N 2.85Å; F15-L17 PolarHBondContact O-N 2.78Å; F15-K18 WeakPolarHBondContact O-CA 3.35Å; F15-K18 WeakPolarHBondContact O-CB 3.42Å; F15-K18 PolarHBondContact O-N 2.66Å; F15-V19 HydrophobicContact CD2-CG2 3.97Å; F15-V19 HydrophobicContact CE2-CG2 4.16Å; F15-V19 PolarHBondContact O-N 2.91Å; F15-T120 HydrophobicContact CE1-CG2 3.75Å; F15-T120 HydrophobicContact CZ-CG2 4.21Å; F15-A131 HydrophobicContact CE2-CB 3.79Å; F15-A131 HydrophobicContact CZ-CB 4.13Å |
| 16 | L | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -31.1 | 176.6 | -61.6 | -179.4 | 0 | 0 | 0 | 111.9 | T13 T14 K18 V19 V20 T120 E122 F124 V129 A131 | T13-L16 VanDerWaalsContact O-CB 3.25Å; T13-L16 WeakPolarHBondContact O-CB 3.32Å; T13-L16 VanDerWaalsContact O-CG 3.31Å; T13-L16 WeakPolarHBondContact O-CG 3.3Å; T13-L16 PolarHBondContact O-N 2.89Å; T14-L16 PolarHBondContact O-N 3.42Å; T14-L16 VanDerWaalsContact O-N 3.11Å; L16-K18 VanDerWaalsContact C-N 3.27Å; L16-K18 PolarHBondContact O-N 3.39Å; L16-V19 WeakPolarHBondContact O-CB 3.14Å; L16-V19 PolarHBondContact O-N 3.36Å; L16-V20 WeakPolarHBondContact O-CG2 3.19Å; L16-V20 PolarHBondContact O-N 3.37Å; L16-T120 HydrophobicContact CD1-CG2 4.19Å; L16-T120 HydrophobicContact CG-CG2 4.47Å; L16-E122 HydrophobicContact CD1-CB 3.46Å; L16-E122 VanDerWaalsContact CD1-CB 3.46Å; L16-F124 HydrophobicContact CB-CE2 3.92Å; L16-F124 HydrophobicContact CB-CZ 3.98Å; L16-V129 HydrophobicContact CB-CB 4.45Å; L16-V129 HydrophobicContact CB-CG1 4.13Å; L16-V129 HydrophobicContact CD1-CB 4.48Å; L16-V129 HydrophobicContact CD2-CG1 4.05Å; L16-V129 HydrophobicContact CG-CG1 4.49Å; L16-A131 HydrophobicContact CD2-CB 3.37Å |
| 17 | L | 92.3 | Very high | 87.2 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -36.8 | 171.7 | -67.8 | 176.2 | 0 | 0 | 0 | 111.4 | T14 F15 V20 E21 F124 | T14-L17 PolarHBondContact O-N 3.32Å; T14-L17 VanDerWaalsContact O-N 3.13Å; F15-L17 PolarHBondContact O-N 2.78Å; L17-V20 PolarHBondContact O-N 3.01Å; L17-E21 WeakPolarHBondContact O-CB 3.26Å; L17-E21 PolarHBondContact O-N 2.87Å; L17-F124 HydrophobicContact CD2-CD1 3.79Å; L17-F124 HydrophobicContact CD2-CD2 4.37Å; L17-F124 HydrophobicContact CD2-CE1 3.52Å; L17-F124 HydrophobicContact CD2-CE2 4.14Å; L17-F124 HydrophobicContact CD2-CG 4.21Å; L17-F124 HydrophobicContact CD2-CZ 3.71Å; L17-F124 HydrophobicContact CG-CE1 3.9Å; L17-F124 HydrophobicContact CG-CZ 3.91Å |
| 18 | K | 90.7 | Very high | 87 | Confident | 52 Ų | 52 | 51 Ų | 51 | 23% | 0.226 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.4 | -34.3 | 175.6 | -173.1 | 59.1 | -174.7 | 175.6 | 0 | 112.1 | L3 F15 L16 E21 E22 | L3-K18 HydrophobicContact CD2-CB 4.2Å; L3-K18 HydrophobicContact CD2-CG 4.02Å; L3-K18 HydrophobicContact CG-CG 4.24Å; F15-K18 WeakPolarHBondContact O-CA 3.35Å; F15-K18 WeakPolarHBondContact O-CB 3.42Å; F15-K18 PolarHBondContact O-N 2.66Å; L16-K18 VanDerWaalsContact C-N 3.27Å; L16-K18 PolarHBondContact O-N 3.39Å; K18-E21 WeakPolarHBondContact CD-OE2 3.47Å; K18-E21 VanDerWaalsContact NZ-CD 3.34Å; K18-E21 IonicContact NZ-OE1 3.74Å; K18-E21 IonicContact NZ-OE2 2.77Å; K18-E21 PolarHBondContact NZ-OE2 2.99Å; K18-E21 PolarHBondContact O-N 2.96Å; K18-E22 WeakPolarHBondContact O-CB 3.49Å; K18-E22 PolarHBondContact O-N 2.88Å |
| 19 | V | 92.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 171.1 | 173.1 | 0 | 0 | 0 | 0 | 109.6 | L3 F15 L16 Y23 V129 A131 M153 A155 I157 | L3-V19 HydrophobicContact CD2-CB 4.47Å; L3-V19 HydrophobicContact CD2-CG2 3.53Å; F15-V19 HydrophobicContact CD2-CG2 3.97Å; F15-V19 HydrophobicContact CE2-CG2 4.16Å; F15-V19 PolarHBondContact O-N 2.91Å; L16-V19 WeakPolarHBondContact O-CB 3.14Å; L16-V19 PolarHBondContact O-N 3.36Å; V19-Y23 HydrophobicContact CB-CD2 4.43Å; V19-Y23 HydrophobicContact CG1-CD2 3.79Å; V19-Y23 HydrophobicContact CG1-CE2 4.17Å; V19-Y23 WeakPolarHBondContact O-CB 3.3Å; V19-Y23 WeakPolarHBondContact O-CD2 3.23Å; V19-Y23 PolarHBondContact O-N 2.88Å; V19-Y23 VanDerWaalsContact O-N 3.12Å; V19-V129 HydrophobicContact CG1-CG1 4.45Å; V19-A131 HydrophobicContact CG2-CB 4.23Å; V19-M153 HydrophobicContact CG2-CE 4.33Å; V19-M153 HydrophobicContact CG2-SD 4.17Å; V19-A155 HydrophobicContact CG1-CB 3.64Å; V19-I157 HydrophobicContact CG1-CD1 4.23Å; V19-I157 HydrophobicContact CG1-CG1 4.42Å |
| 20 | V | 92.1 | Very high | 86.7 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -51.1 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L16 L17 E22 Y23 L24 V129 I157 I295 | L16-V20 WeakPolarHBondContact O-CG2 3.19Å; L16-V20 PolarHBondContact O-N 3.37Å; L17-V20 PolarHBondContact O-N 3.01Å; V20-E22 PolarHBondContact O-N 3.45Å; V20-Y23 PolarHBondContact O-N 2.96Å; V20-L24 HydrophobicContact CG1-CD1 3.81Å; V20-L24 HydrophobicContact CG1-CG 4.21Å; V20-L24 VanDerWaalsContact O-CB 3.27Å; V20-L24 WeakPolarHBondContact O-CB 3.29Å; V20-L24 PolarHBondContact O-N 3.28Å; V20-V129 HydrophobicContact CG2-CG1 4.39Å; V20-V129 HydrophobicContact CG2-CG2 3.56Å; V20-I157 HydrophobicContact CG2-CG2 4.21Å; V20-I295 HydrophobicContact CG1-CD1 4.34Å |
| 21 | E | 89.8 | Confident | 86.6 | Confident | 99 Ų | 99 | 52 Ų | 52 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.2 | -49.4 | -179.7 | -171.4 | -162.8 | 176.5 | 0 | 0 | 112.4 | L17 K18 Y23 G25 | L17-E21 WeakPolarHBondContact O-CB 3.26Å; L17-E21 PolarHBondContact O-N 2.87Å; K18-E21 WeakPolarHBondContact CD-OE2 3.47Å; K18-E21 VanDerWaalsContact NZ-CD 3.34Å; K18-E21 IonicContact NZ-OE1 3.74Å; K18-E21 IonicContact NZ-OE2 2.77Å; K18-E21 PolarHBondContact NZ-OE2 2.99Å; K18-E21 PolarHBondContact O-N 2.96Å; E21-Y23 PolarHBondContact O-N 3.38Å; E21-G25 WeakPolarHBondContact O-CA 3.38Å; E21-G25 PolarHBondContact O-N 2.83Å |
| 22 | E | 88.3 | Confident | 86.6 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | -176.3 | 179.1 | 67.1 | -154.9 | 0 | 0 | 112.4 | K18 V20 K43 | K18-E22 WeakPolarHBondContact O-CB 3.49Å; K18-E22 PolarHBondContact O-N 2.88Å; V20-E22 PolarHBondContact O-N 3.45Å; E22-K43 IonicContact OE1-NZ 3.09Å; E22-K43 PolarHBondContact OE1-NZ 3.02Å |
| 23 | Y | 88.9 | Confident | 86.3 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 8% | 0.078 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -101.4 | -24.7 | -169.1 | -63.8 | -62.1 | 0 | 0 | 0 | 114.7 | L3 V19 V20 E21 W29 K54 M153 V171 | L3-Y23 HydrophobicContact CD1-CE2 4.31Å; V19-Y23 HydrophobicContact CB-CD2 4.43Å; V19-Y23 HydrophobicContact CG1-CD2 3.79Å; V19-Y23 HydrophobicContact CG1-CE2 4.17Å; V19-Y23 WeakPolarHBondContact O-CB 3.3Å; V19-Y23 WeakPolarHBondContact O-CD2 3.23Å; V19-Y23 PolarHBondContact O-N 2.88Å; V19-Y23 VanDerWaalsContact O-N 3.12Å; V20-Y23 PolarHBondContact O-N 2.96Å; E21-Y23 PolarHBondContact O-N 3.38Å; Y23-W29 AromaticContact CD1-CH2 3.95Å; Y23-W29 HydrophobicContact CD1-CH2 3.95Å; Y23-W29 AromaticContact CD1-CZ2 3.57Å; Y23-W29 HydrophobicContact CD1-CZ2 3.57Å; Y23-W29 HydrophobicContact CE1-CH2 4.1Å; Y23-W29 AromaticContact CE1-CZ2 4Å; Y23-W29 HydrophobicContact CE1-CZ2 4Å; Y23-K54 WeakPolarHBondContact O-CD 3.16Å; Y23-K54 PolarHBondContact O-NZ 3.32Å; Y23-M153 HydrophobicContact CE2-CG 3.81Å; Y23-V171 HydrophobicContact CD1-CB 4.34Å; Y23-V171 HydrophobicContact CD1-CG1 3.49Å; Y23-V171 VanDerWaalsContact CD1-CG1 3.49Å; Y23-V171 HydrophobicContact CD1-CG2 3.96Å; Y23-V171 HydrophobicContact CD2-CG1 4.17Å; Y23-V171 HydrophobicContact CD2-CG2 4.28Å; Y23-V171 HydrophobicContact CE1-CG1 3.46Å; Y23-V171 VanDerWaalsContact CE1-CG1 3.46Å; Y23-V171 HydrophobicContact CE2-CG1 4.15Å; Y23-V171 HydrophobicContact CG-CB 4.32Å; Y23-V171 HydrophobicContact CG-CG1 3.89Å; Y23-V171 HydrophobicContact CG-CG2 3.73Å |
| 24 | L | 88.3 | Confident | 86.1 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -89.9 | -17.3 | 168.7 | -56.8 | -166 | 0 | 0 | 0 | 112.7 | V20 Y127 I157 T169 | V20-L24 HydrophobicContact CG1-CD1 3.81Å; V20-L24 HydrophobicContact CG1-CG 4.21Å; V20-L24 VanDerWaalsContact O-CB 3.27Å; V20-L24 WeakPolarHBondContact O-CB 3.29Å; V20-L24 PolarHBondContact O-N 3.28Å; L24-Y127 HydrophobicContact CD1-CD1 4.41Å; L24-Y127 HydrophobicContact CD1-CE1 3.62Å; L24-I157 HydrophobicContact CD1-CG2 3.91Å; L24-I157 HydrophobicContact CD2-CD1 4.07Å; L24-I157 HydrophobicContact CD2-CG2 4.25Å; L24-I157 HydrophobicContact CG-CD1 4.2Å; L24-I157 HydrophobicContact CG-CG2 4.25Å; L24-T169 HydrophobicContact CD2-CG2 3.99Å |
| 25 | G | 81.3 | Confident | 86 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -62 | 165.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E21 | E21-G25 WeakPolarHBondContact O-CA 3.38Å; E21-G25 PolarHBondContact O-N 2.83Å |
| 26 | G | 66.4 | Low | 85.6 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | trans | -60.4 | -161.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 27 | P | 65.3 | Low | 85.4 | Confident | 129 Ų | 129 | 65.8 Ų | 65.8 | 84% | 0.838 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -53.7 | 139.7 | -177 | 21.7 | -31.6 | 0 | 0 | 0 | 111 | ||
| 28 | P | 78.5 | Confident | 85.3 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 53% | 0.526 | 36% | 0.357 | S | S | . | . | -129.5 | 35.9 | 58.2 | 40.6 | -29.7 | 0 | 0 | 0 | 116.6 | K43 | P28-K43 HydrophobicContact CG-CD 4.45Š| |||
| 29 | W | 88 | Confident | 85.4 | Confident | 32 Ų | 32 | 66 Ų | 66 | 12% | 0.121 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -68 | 131 | 178.3 | -64.6 | 93 | 0 | 0 | 0 | 112.9 | Y23 W41 K43 A52 K54 | Y23-W29 AromaticContact CD1-CH2 3.95Å; Y23-W29 HydrophobicContact CD1-CH2 3.95Å; Y23-W29 AromaticContact CD1-CZ2 3.57Å; Y23-W29 HydrophobicContact CD1-CZ2 3.57Å; Y23-W29 HydrophobicContact CE1-CH2 4.1Å; Y23-W29 AromaticContact CE1-CZ2 4Å; Y23-W29 HydrophobicContact CE1-CZ2 4Å; W29-W41 HydrophobicContact CB-CB 3.87Å; W29-W41 HydrophobicContact CB-CG 4.09Å; W29-W41 HydrophobicContact CE3-CB 4.09Å; W29-K43 HydrophobicContact CD2-CB 4.09Å; W29-K43 HydrophobicContact CD2-CD 4.48Å; W29-K43 HydrophobicContact CE3-CB 3.59Å; W29-K43 HydrophobicContact CH2-CB 3.85Å; W29-K43 HydrophobicContact CH2-CD 4.07Å; W29-K43 HydrophobicContact CZ2-CB 4.29Å; W29-K43 HydrophobicContact CZ2-CD 3.79Å; W29-K43 HydrophobicContact CZ3-CB 3.48Å; W29-K43 VanDerWaalsContact CZ3-CB 3.48Å; W29-A52 HydrophobicContact CH2-CB 3.96Å; W29-A52 HydrophobicContact CZ3-CB 4.15Å; W29-K54 HydrophobicContact CD2-CB 4.39Å; W29-K54 HydrophobicContact CD2-CD 4.49Å; W29-K54 HydrophobicContact CE3-CB 3.86Å; W29-K54 HydrophobicContact CH2-CB 4.26Å; W29-K54 HydrophobicContact CZ3-CB 3.77Å |
| 30 | T | 86.6 | Confident | 85.2 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 121.6 | 174.3 | -59.8 | 0 | 0 | 0 | 0 | 109.9 | E32 W41 S42 | T30-E32 PolarHBondContact O-N 3.37Å; T30-W41 CarbonylContact O-C 3.39Å; T30-W41 WeakPolarHBondContact O-CA 3.29Å; T30-W41 WeakPolarHBondContact O-CB 3.24Å; T30-S42 PolarHBondContact N-O 2.89Å; T30-S42 PolarHBondContact O-N 3.04Å |
| 31 | Q | 87.4 | Confident | 85.1 | Confident | 103 Ų | 103 | 67.6 Ų | 67.6 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 122.5 | 179.6 | -165.7 | 179.1 | -83.5 | 0 | 0 | 110.7 | W41 | Q31-W41 HydrophobicContact CB-CG 4.31Å; Q31-W41 HydrophobicContact CG-CG 4.48Å |
| 32 | E | 83.5 | Confident | 85 | Confident | 74 Ų | 74 | 63 Ų | 63 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -25.7 | -178.6 | -58.9 | -75.1 | -171 | 0 | 0 | 111.9 | T30 V40 S42 R51 | T30-E32 PolarHBondContact O-N 3.37Å; E32-V40 PolarHBondContact N-O 3.14Å; E32-S42 PolarHBondContact OE1-OG 3.44Å; E32-R51 IonicContact OE1-NH2 3.69Å; E32-R51 PolarHBondContact OE1-NH2 3.08Å; E32-R51 VanDerWaalsContact OE1-NH2 3.09Å |
| 33 | Y | 80.9 | Confident | 84.9 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 144.6 | -176.2 | 177.3 | -89.1 | 0 | 0 | 0 | 110.9 | K35 V38 K39 V40 P194 | Y33-K35 HydrophobicContact CE1-CB 4.01Å; Y33-K35 HydrophobicContact CE2-CB 4.35Å; Y33-V38 HydrophobicContact CD1-CG1 4.46Å; Y33-V38 HydrophobicContact CE1-CB 4.23Å; Y33-V38 HydrophobicContact CE1-CG1 4.14Å; Y33-K39 CarbonylContact O-C 3.59Å; Y33-K39 WeakPolarHBondContact O-CA 3.36Å; Y33-V40 HydrophobicContact CD1-CG2 4.08Å; Y33-V40 HydrophobicContact CG-CG2 4.45Å; Y33-V40 PolarHBondContact N-O 2.98Å; Y33-V40 PolarHBondContact O-N 2.87Å; Y33-P194 HydrophobicContact CD1-CG 4.26Å; Y33-P194 HydrophobicContact CE1-CB 4.46Å; Y33-P194 HydrophobicContact CE1-CG 3.85Å; Y33-P194 HydrophobicContact CE2-CG 4.42Å |
| 34 | S | 88.3 | Confident | 84.3 | Confident | 66 Ų | 66 | 64 Ų | 64 | 46% | 0.462 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 110.4 | 171.7 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | V38 | S34-V38 CarbonylContact C-O 3.52Å; S34-V38 WeakPolarHBondContact CA-O 3.38Å |
| 35 | K | 88.1 | Confident | 83.1 | Confident | 127 Ų | 127 | 64.5 Ų | 64.5 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -164 | 145.1 | 175.7 | -176.1 | 177.2 | -179.1 | 179.6 | 0 | 111.1 | Y33 D37 V38 | Y33-K35 HydrophobicContact CE1-CB 4.01Å; Y33-K35 HydrophobicContact CE2-CB 4.35Å; K35-D37 PolarHBondContact O-N 2.85Å; K35-V38 PolarHBondContact N-O 2.89Å; K35-V38 WeakPolarHBondContact O-CB 3.45Å; K35-V38 PolarHBondContact O-N 3.25Å; K35-V38 VanDerWaalsContact O-O 3.07Å |
| 36 | N | 86 | Confident | 82 | Confident | 120 Ų | 120 | 72.3 Ų | 72.3 | 64% | 0.642 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 52.8 | 174 | -60.5 | -9.6 | 0 | 0 | 0 | 113.2 | V38 | N36-V38 PolarHBondContact O-N 3.21Š|
| 37 | D | 90.1 | Very high | 81.4 | Confident | 84 Ų | 84 | 76.9 Ų | 76.9 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 8.1 | -177 | -53.3 | -33.6 | 0 | 0 | 0 | 115.4 | K35 A57 L58 K60 | K35-D37 PolarHBondContact O-N 2.85Å; D37-A57 WeakPolarHBondContact O-CA 3.45Å; D37-L58 HydrophobicContact CB-CB 3.76Å; D37-L58 PolarHBondContact O-N 3.12Å; D37-K60 WeakPolarHBondContact OD2-CE 3.38Å; D37-K60 IonicContact OD2-NZ 3.53Å; D37-K60 PolarHBondContact OD2-NZ 3.3Å |
| 38 | V | 90.9 | Very high | 81.3 | Confident | 15 Ų | 15 | 74.3 Ų | 74.3 | 9% | 0.091 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.7 | 173.2 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | Y33 S34 K35 N36 T56 A57 P194 I197 | Y33-V38 HydrophobicContact CD1-CG1 4.46Å; Y33-V38 HydrophobicContact CE1-CB 4.23Å; Y33-V38 HydrophobicContact CE1-CG1 4.14Å; S34-V38 CarbonylContact C-O 3.52Å; S34-V38 WeakPolarHBondContact CA-O 3.38Å; K35-V38 PolarHBondContact N-O 2.89Å; K35-V38 WeakPolarHBondContact O-CB 3.45Å; K35-V38 PolarHBondContact O-N 3.25Å; K35-V38 VanDerWaalsContact O-O 3.07Å; N36-V38 PolarHBondContact O-N 3.21Å; V38-T56 VanDerWaalsContact CA-O 3.3Å; V38-T56 WeakPolarHBondContact CA-O 3.45Å; V38-A57 HydrophobicContact CG2-CB 4.06Å; V38-P194 HydrophobicContact CG1-CB 4.46Å; V38-P194 HydrophobicContact CG1-CG 4.49Å; V38-I197 HydrophobicContact CG1-CD1 3.79Å; V38-I197 HydrophobicContact CG2-CG2 4.19Å |
| 39 | K | 91.6 | Very high | 80.5 | Confident | 90 Ų | 90 | 79.5 Ų | 79.5 | 39% | 0.391 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.5 | 174.8 | -62.5 | 174.8 | -174.2 | 170.7 | 0 | 109.3 | Y33 W41 A55 T56 | Y33-K39 CarbonylContact O-C 3.59Å; Y33-K39 WeakPolarHBondContact O-CA 3.36Å; K39-W41 HydrophobicContact CB-CE3 4.14Å; K39-W41 HydrophobicContact CB-CH2 3.11Å; K39-W41 HydrophobicContact CB-CZ2 3.62Å; K39-W41 HydrophobicContact CB-CZ3 3.36Å; K39-W41 HydrophobicContact CD-CH2 3.56Å; K39-W41 HydrophobicContact CD-CZ2 3.65Å; K39-W41 HydrophobicContact CG-CH2 3.96Å; K39-W41 HydrophobicContact CG-CZ2 4.26Å; K39-W41 WeakPolarHBondContact O-CZ3 3.5Å; K39-A55 CarbonylContact O-C 3.57Å; K39-A55 WeakPolarHBondContact O-CA 3.34Å; K39-T56 PolarHBondContact N-O 3.31Å; K39-T56 PolarHBondContact O-N 3.3Å |
| 40 | V | 89.8 | Confident | 79.8 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.9 | 177.8 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | E32 Y33 K54 A55 A193 | E32-V40 PolarHBondContact N-O 3.14Å; Y33-V40 HydrophobicContact CD1-CG2 4.08Å; Y33-V40 HydrophobicContact CG-CG2 4.45Å; Y33-V40 PolarHBondContact N-O 2.98Å; Y33-V40 PolarHBondContact O-N 2.87Å; V40-K54 CarbonylContact C-O 3.51Å; V40-K54 VanDerWaalsContact CA-O 3.31Å; V40-K54 WeakPolarHBondContact CA-O 3.41Å; V40-A55 HydrophobicContact CG2-CB 4.13Å; V40-A193 HydrophobicContact CG2-CB 4.49Å |
| 41 | W | 89.7 | Confident | 79.5 | Confident | 39 Ų | 39 | 78.1 Ų | 78.1 | 15% | 0.148 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 157.9 | 175.5 | -57.2 | -106 | 0 | 0 | 0 | 110.9 | W29 T30 Q31 K39 F53 K54 T56 | W29-W41 HydrophobicContact CB-CB 3.87Å; W29-W41 HydrophobicContact CB-CG 4.09Å; W29-W41 HydrophobicContact CE3-CB 4.09Å; T30-W41 CarbonylContact O-C 3.39Å; T30-W41 WeakPolarHBondContact O-CA 3.29Å; T30-W41 WeakPolarHBondContact O-CB 3.24Å; Q31-W41 HydrophobicContact CB-CG 4.31Å; Q31-W41 HydrophobicContact CG-CG 4.48Å; K39-W41 HydrophobicContact CB-CE3 4.14Å; K39-W41 HydrophobicContact CB-CH2 3.11Å; K39-W41 HydrophobicContact CB-CZ2 3.62Å; K39-W41 HydrophobicContact CB-CZ3 3.36Å; K39-W41 HydrophobicContact CD-CH2 3.56Å; K39-W41 HydrophobicContact CD-CZ2 3.65Å; K39-W41 HydrophobicContact CG-CH2 3.96Å; K39-W41 HydrophobicContact CG-CZ2 4.26Å; K39-W41 WeakPolarHBondContact O-CZ3 3.5Å; W41-F53 WeakPolarHBondContact O-CA 3.48Å; W41-K54 HydrophobicContact CB-CB 4.48Å; W41-K54 HydrophobicContact CE3-CB 4.48Å; W41-K54 HydrophobicContact CE3-CG 4.3Å; W41-K54 PolarHBondContact N-O 3.04Å; W41-K54 PolarHBondContact O-N 2.76Å; W41-T56 HydrophobicContact CH2-CG2 3.79Å; W41-T56 WeakPolarHBondContact CH2-OG1 3.31Å; W41-T56 HydrophobicContact CZ3-CG2 3.48Å; W41-T56 VanDerWaalsContact CZ3-CG2 3.48Å; W41-T56 VanDerWaalsContact CZ3-OG1 3.26Å; W41-T56 WeakPolarHBondContact CZ3-OG1 3.38Å |
| 42 | S | 86.8 | Confident | 79.5 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 3% | 0.028 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.5 | 171 | 76.8 | 0 | 0 | 0 | 0 | 111.3 | T30 E32 R51 A52 | T30-S42 PolarHBondContact N-O 2.89Å; T30-S42 PolarHBondContact O-N 3.04Å; E32-S42 PolarHBondContact OE1-OG 3.44Å; S42-R51 VanDerWaalsContact CB-NH2 3.26Å; S42-R51 PolarHBondContact OG-NH2 3.02Å; S42-A52 CarbonylContact C-O 3.47Å; S42-A52 VanDerWaalsContact CA-O 3.3Å; S42-A52 WeakPolarHBondContact CA-O 3.36Å |
| 43 | K | 85.8 | Confident | 79.8 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 27% | 0.274 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 137.7 | 171.9 | -179.7 | 179.4 | 177.8 | -178.9 | 0 | 108.2 | E22 P28 W29 A52 | E22-K43 IonicContact OE1-NZ 3.09Å; E22-K43 PolarHBondContact OE1-NZ 3.02Å; P28-K43 HydrophobicContact CG-CD 4.45Å; W29-K43 HydrophobicContact CD2-CB 4.09Å; W29-K43 HydrophobicContact CD2-CD 4.48Å; W29-K43 HydrophobicContact CE3-CB 3.59Å; W29-K43 HydrophobicContact CH2-CB 3.85Å; W29-K43 HydrophobicContact CH2-CD 4.07Å; W29-K43 HydrophobicContact CZ2-CB 4.29Å; W29-K43 HydrophobicContact CZ2-CD 3.79Å; W29-K43 HydrophobicContact CZ3-CB 3.48Å; W29-K43 VanDerWaalsContact CZ3-CB 3.48Å; K43-A52 HydrophobicContact CB-CB 4.37Å; K43-A52 PolarHBondContact N-O 3.49Å; K43-A52 PolarHBondContact O-N 2.99Å |
| 44 | G | 77 | Confident | 80.3 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 43% | 0.433 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 116.4 | 158.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | D48 | G44-D48 WeakPolarHBondContact CA-OD2 3.18Š|
| 45 | S | 62.5 | Low | 80.5 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | trans | -79 | 161.9 | 176.5 | 92.5 | 0 | 0 | 0 | 0 | 111.8 | N47 D48 | S45-N47 PolarHBondContact O-N 3.37Å; S45-N47 PolarHBondContact OG-N 2.99Å; S45-N47 VanDerWaalsContact OG-N 3.13Å; S45-D48 WeakPolarHBondContact CB-OD1 3.37Å; S45-D48 VanDerWaalsContact N-CG 3.26Å; S45-D48 PolarHBondContact N-OD2 3.02Å; S45-D48 WeakPolarHBondContact O-CB 3.46Å; S45-D48 PolarHBondContact O-N 3.06Å; S45-D48 VanDerWaalsContact OG-CG 3.26Å; S45-D48 PolarHBondContact OG-N 3.46Å; S45-D48 VanDerWaalsContact OG-N 3.12Å; S45-D48 PolarHBondContact OG-OD1 3.11Å | ||
| 46 | K | 59.1 | Low | 80.8 | Confident | 193 Ų | 193 | 61.8 Ų | 61.8 | 84% | 0.839 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.8 | 172.8 | -70.3 | -175.9 | 179.5 | 178.9 | 0 | 113.1 | ||
| 47 | N | 53.3 | Low | 81.3 | Confident | 152 Ų | 152 | 56.2 Ų | 56.2 | 81% | 0.813 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -8 | -179.4 | -65.3 | -12.8 | 0 | 0 | 0 | 112.2 | S45 Q49 | S45-N47 PolarHBondContact O-N 3.37Å; S45-N47 PolarHBondContact OG-N 2.99Å; S45-N47 VanDerWaalsContact OG-N 3.13Å; N47-Q49 PolarHBondContact O-N 3.13Å |
| 48 | D | 62.4 | Low | 81.7 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 40% | 0.401 | 28% | 0.28 | S | S | . | . | trans | -67 | 129.4 | 175.7 | -64.2 | -1.4 | 0 | 0 | 0 | 107.7 | G44 S45 I50 | G44-D48 WeakPolarHBondContact CA-OD2 3.18Å; S45-D48 WeakPolarHBondContact CB-OD1 3.37Å; S45-D48 VanDerWaalsContact N-CG 3.26Å; S45-D48 PolarHBondContact N-OD2 3.02Å; S45-D48 WeakPolarHBondContact O-CB 3.46Å; S45-D48 PolarHBondContact O-N 3.06Å; S45-D48 VanDerWaalsContact OG-CG 3.26Å; S45-D48 PolarHBondContact OG-N 3.46Å; S45-D48 VanDerWaalsContact OG-N 3.12Å; S45-D48 PolarHBondContact OG-OD1 3.11Å; D48-I50 PolarHBondContact O-N 3.36Å; D48-I50 VanDerWaalsContact O-N 3.14Å | ||
| 49 | Q | 63.2 | Low | 82 | Confident | 191 Ų | 191 | 54.1 Ų | 54.1 | 89% | 0.893 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -60.4 | -24.6 | 176.9 | -66.4 | -174.3 | 26 | 0 | 0 | 111.5 | N47 | N47-Q49 PolarHBondContact O-N 3.13Š|
| 50 | I | 72.8 | Confident | 82.2 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -135.7 | 120.2 | -174.9 | -49.5 | 177.1 | 0 | 0 | 0 | 108.2 | D48 H152 D175 | D48-I50 PolarHBondContact O-N 3.36Å; D48-I50 VanDerWaalsContact O-N 3.14Å; I50-H152 WeakPolarHBondContact CD1-NE2 3.47Å; I50-D175 HydrophobicContact CD1-CB 3.69Å; I50-D175 HydrophobicContact CG1-CB 4.01Å |
| 51 | R | 80.6 | Confident | 82.5 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 16% | 0.158 | 30% | 0.302 | C | S | . | . | trans | -102.2 | 146 | 173.8 | -67.6 | 176.1 | 68.2 | -164.7 | 3 | 109.5 | E32 S42 F53 | E32-R51 IonicContact OE1-NH2 3.69Å; E32-R51 PolarHBondContact OE1-NH2 3.08Å; E32-R51 VanDerWaalsContact OE1-NH2 3.09Å; S42-R51 VanDerWaalsContact CB-NH2 3.26Å; S42-R51 PolarHBondContact OG-NH2 3.02Å; R51-F53 HydrophobicContact CB-CE2 3.97Å; R51-F53 HydrophobicContact CB-CZ 3.83Å | ||
| 52 | A | 87.2 | Confident | 82.9 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 12% | 0.116 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 139.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | W29 S42 K43 T172 | W29-A52 HydrophobicContact CH2-CB 3.96Å; W29-A52 HydrophobicContact CZ3-CB 4.15Å; S42-A52 CarbonylContact C-O 3.47Å; S42-A52 VanDerWaalsContact CA-O 3.3Å; S42-A52 WeakPolarHBondContact CA-O 3.36Å; K43-A52 HydrophobicContact CB-CB 4.37Å; K43-A52 PolarHBondContact N-O 3.49Å; K43-A52 PolarHBondContact O-N 2.99Å; A52-T172 CarbonylContact C-O 3.51Å; A52-T172 WeakPolarHBondContact CA-O 3.12Å |
| 53 | F | 88.8 | Confident | 83.4 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.9 | 174.7 | -60.5 | -74.5 | 0 | 0 | 0 | 109.8 | W41 R51 V171 T172 I185 T189 | W41-F53 WeakPolarHBondContact O-CA 3.48Å; R51-F53 HydrophobicContact CB-CE2 3.97Å; R51-F53 HydrophobicContact CB-CZ 3.83Å; F53-V171 CarbonylContact O-C 3.58Å; F53-V171 WeakPolarHBondContact O-CA 3.09Å; F53-T172 HydrophobicContact CB-CG2 4.13Å; F53-T172 PolarHBondContact N-O 3.24Å; F53-T172 PolarHBondContact O-N 3.39Å; F53-I185 HydrophobicContact CE2-CG2 4.12Å; F53-I185 HydrophobicContact CZ-CG2 3.74Å; F53-T189 HydrophobicContact CD1-CG2 3.32Å; F53-T189 HydrophobicContact CE1-CG2 3.17Å; F53-T189 HydrophobicContact CE2-CG2 4.39Å; F53-T189 HydrophobicContact CG-CG2 4.03Å; F53-T189 HydrophobicContact CZ-CG2 3.74Å |
| 54 | K | 91.8 | Very high | 83.9 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 10% | 0.096 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.9 | 173.5 | -179 | 169.7 | 72.4 | 177.8 | 0 | 108 | Y23 W29 V40 W41 T169 Y170 V171 | Y23-K54 WeakPolarHBondContact O-CD 3.16Å; Y23-K54 PolarHBondContact O-NZ 3.32Å; W29-K54 HydrophobicContact CD2-CB 4.39Å; W29-K54 HydrophobicContact CD2-CD 4.49Å; W29-K54 HydrophobicContact CE3-CB 3.86Å; W29-K54 HydrophobicContact CH2-CB 4.26Å; W29-K54 HydrophobicContact CZ3-CB 3.77Å; V40-K54 CarbonylContact C-O 3.51Å; V40-K54 VanDerWaalsContact CA-O 3.31Å; V40-K54 WeakPolarHBondContact CA-O 3.41Å; W41-K54 HydrophobicContact CB-CB 4.48Å; W41-K54 HydrophobicContact CE3-CB 4.48Å; W41-K54 HydrophobicContact CE3-CG 4.3Å; W41-K54 PolarHBondContact N-O 3.04Å; W41-K54 PolarHBondContact O-N 2.76Å; K54-T169 HydrophobicContact CD-CG2 3.73Å; K54-T169 HydrophobicContact CG-CG2 3.68Å; K54-Y170 CarbonylContact C-O 3.48Å; K54-Y170 VanDerWaalsContact CA-O 3.29Å; K54-Y170 WeakPolarHBondContact CA-O 3.36Å; K54-V171 HydrophobicContact CG-CG2 4.23Å |
| 55 | A | 93.3 | Very high | 84.9 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K39 V40 T169 Y170 I197 | K39-A55 CarbonylContact O-C 3.57Å; K39-A55 WeakPolarHBondContact O-CA 3.34Å; V40-A55 HydrophobicContact CG2-CB 4.13Å; A55-T169 CarbonylContact O-C 3.52Å; A55-T169 WeakPolarHBondContact O-CA 3.42Å; A55-Y170 PolarHBondContact N-O 3.38Å; A55-Y170 PolarHBondContact O-N 2.82Å; A55-I197 HydrophobicContact CB-CD1 3.87Å |
| 56 | T | 94.9 | Very high | 86.5 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 145.4 | 172.7 | 65.6 | 0 | 0 | 0 | 0 | 109.7 | V38 K39 W41 M168 T169 | V38-T56 VanDerWaalsContact CA-O 3.3Å; V38-T56 WeakPolarHBondContact CA-O 3.45Å; K39-T56 PolarHBondContact N-O 3.31Å; K39-T56 PolarHBondContact O-N 3.3Å; W41-T56 HydrophobicContact CH2-CG2 3.79Å; W41-T56 WeakPolarHBondContact CH2-OG1 3.31Å; W41-T56 HydrophobicContact CZ3-CG2 3.48Å; W41-T56 VanDerWaalsContact CZ3-CG2 3.48Å; W41-T56 VanDerWaalsContact CZ3-OG1 3.26Å; W41-T56 WeakPolarHBondContact CZ3-OG1 3.38Å; T56-M168 CarbonylContact C-O 3.5Å; T56-M168 WeakPolarHBondContact CA-O 3.2Å; T56-T169 HydrophobicContact CG2-CG2 4.07Å |
| 57 | A | 96.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 137.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | D37 V38 F59 E167 M168 I197 | D37-A57 WeakPolarHBondContact O-CA 3.45Å; V38-A57 HydrophobicContact CG2-CB 4.06Å; A57-F59 HydrophobicContact CB-CD2 4.24Å; A57-F59 HydrophobicContact CB-CE2 3.78Å; A57-E167 WeakPolarHBondContact O-CA 3.23Å; A57-M168 PolarHBondContact N-O 3.47Å; A57-M168 PolarHBondContact O-N 2.75Å; A57-I197 HydrophobicContact CB-CD1 4.23Å; A57-I197 HydrophobicContact CB-CG2 3.47Å; A57-I197 VanDerWaalsContact CB-CG2 3.47Å |
| 58 | L | 97.3 | Very high | 90.5 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 29% | 0.288 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 127.2 | 171.4 | -177.3 | 60.8 | 0 | 0 | 0 | 110.1 | D37 K60 L161 | D37-L58 HydrophobicContact CB-CB 3.76Å; D37-L58 PolarHBondContact O-N 3.12Å; L58-K60 HydrophobicContact CD2-CD 4.41Å; L58-K60 VanDerWaalsContact CD2-CE 3.42Å; L58-K60 HydrophobicContact CD2-CG 4.04Å; L58-K60 HydrophobicContact CG-CG 4.03Å; L58-L161 HydrophobicContact CD1-CD1 3.34Å |
| 59 | F | 97.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 89.7 | 177.2 | -78.2 | -121.4 | 0 | 0 | 0 | 108.3 | A57 V62 L67 S165 C166 M168 I197 L200 Y201 | A57-F59 HydrophobicContact CB-CD2 4.24Å; A57-F59 HydrophobicContact CB-CE2 3.78Å; F59-V62 HydrophobicContact CB-CB 4.17Å; F59-V62 HydrophobicContact CD1-CG1 4.48Å; F59-L67 HydrophobicContact CD1-CD1 4.13Å; F59-L67 HydrophobicContact CD1-CD2 4.2Å; F59-L67 HydrophobicContact CD2-CD2 4.36Å; F59-L67 HydrophobicContact CE1-CD1 3.67Å; F59-L67 HydrophobicContact CE1-CD2 4.25Å; F59-L67 HydrophobicContact CE2-CD2 4.41Å; F59-L67 HydrophobicContact CG-CD2 4.27Å; F59-L67 HydrophobicContact CZ-CD1 4.14Å; F59-L67 HydrophobicContact CZ-CD2 4.37Å; F59-S165 WeakPolarHBondContact O-CA 3.24Å; F59-C166 PolarHBondContact N-O 3.31Å; F59-C166 PolarHBondContact O-N 3.36Å; F59-M168 HydrophobicContact CD2-CB 4.16Å; F59-M168 HydrophobicContact CE2-CB 3.8Å; F59-M168 HydrophobicContact CE2-CE 3.97Å; F59-M168 HydrophobicContact CE2-SD 4.22Å; F59-M168 HydrophobicContact CZ-CE 4.07Å; F59-M168 HydrophobicContact CZ-SD 4.14Å; F59-I197 HydrophobicContact CE2-CG2 4.25Å; F59-I197 HydrophobicContact CZ-CG2 4.33Å; F59-L200 HydrophobicContact CE1-CG 4.15Å; F59-L200 HydrophobicContact CZ-CD2 4.16Å; F59-L200 HydrophobicContact CZ-CG 4.16Å; F59-Y201 HydrophobicContact CB-CD2 4.22Å; F59-Y201 HydrophobicContact CB-CE2 4.38Å; F59-Y201 AromaticContact CD1-CD2 3.59Å; F59-Y201 HydrophobicContact CD1-CD2 3.59Å; F59-Y201 HydrophobicContact CD1-CE2 4.46Å; F59-Y201 HydrophobicContact CD1-CG 4.38Å; F59-Y201 HydrophobicContact CE1-CD2 4.09Å; F59-Y201 HydrophobicContact CE1-CG 4.48Å; F59-Y201 AromaticContact CG-CD2 3.91Å; F59-Y201 HydrophobicContact CG-CD2 3.91Å |
| 60 | K | 95.7 | Very high | 93.9 | Very high | 117 Ų | 117 | 24 Ų | 24 | 51% | 0.509 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 136.7 | 175.3 | -63.1 | 176.1 | -178 | 159.2 | 0 | 109.5 | D37 L58 V62 Y201 | D37-K60 WeakPolarHBondContact OD2-CE 3.38Å; D37-K60 IonicContact OD2-NZ 3.53Å; D37-K60 PolarHBondContact OD2-NZ 3.3Å; L58-K60 HydrophobicContact CD2-CD 4.41Å; L58-K60 VanDerWaalsContact CD2-CE 3.42Å; L58-K60 HydrophobicContact CD2-CG 4.04Å; L58-K60 HydrophobicContact CG-CG 4.03Å; K60-V62 PolarHBondContact O-N 3.06Å; K60-Y201 WeakPolarHBondContact O-CE2 3.29Å; K60-Y201 PolarHBondContact O-OH 2.78Å |
| 61 | G | 96.7 | Very high | 95.1 | Very high | 45 Ų | 45 | 22.9 Ų | 22.9 | 46% | 0.464 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 14.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | N164 | G61-N164 CarbonylContact C-O 3.47Å; G61-N164 WeakPolarHBondContact CA-ND2 3.48Å; G61-N164 WeakPolarHBondContact CA-O 3.37Å; G61-N164 PolarHBondContact N-O 3.18Å; G61-N164 PolarHBondContact O-OD1 3.3Å; G61-N164 VanDerWaalsContact O-OD1 3.08Å |
| 62 | V | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | trans | -136.6 | 120.6 | 176.4 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | F59 K60 E66 L67 N164 S165 C166 Y201 C204 T205 | F59-V62 HydrophobicContact CB-CB 4.17Å; F59-V62 HydrophobicContact CD1-CG1 4.48Å; K60-V62 PolarHBondContact O-N 3.06Å; V62-E66 HydrophobicContact CG1-CB 3.9Å; V62-L67 HydrophobicContact CG1-CB 4.21Å; V62-N164 PolarHBondContact N-O 2.97Å; V62-N164 VanDerWaalsContact N-O 3.14Å; V62-N164 PolarHBondContact N-OD1 3.09Å; V62-S165 CarbonylContact O-C 3.52Å; V62-S165 VanDerWaalsContact O-CA 3.29Å; V62-S165 WeakPolarHBondContact O-CA 3.43Å; V62-C166 PolarHBondContact O-N 2.59Å; V62-C166 PolarHBondContact O-SG 3.12Å; V62-Y201 HydrophobicContact CG2-CE2 4.43Å; V62-C204 HydrophobicContact CG1-CB 3.71Å; V62-C204 HydrophobicContact CG2-CB 4.02Å; V62-T205 HydrophobicContact CG2-CG2 4.11Å | ||
| 63 | S | 97 | Very high | 96.5 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 6% | 0.063 | 12% | 0.115 | C | C | . | . | trans | -69.6 | 158 | 173.6 | 67.3 | 0 | 0 | 0 | 0 | 112.2 | S65 E66 L67 T163 | S63-S65 VanDerWaalsContact C-N 3.27Å; S63-S65 PolarHBondContact O-N 3.44Å; S63-S65 PolarHBondContact OG-OG 3.19Å; S63-S65 VanDerWaalsContact OG-OG 3.06Å; S63-E66 VanDerWaalsContact CB-OE2 3.29Å; S63-E66 WeakPolarHBondContact CB-OE2 3.27Å; S63-E66 PolarHBondContact N-OE2 2.65Å; S63-E66 PolarHBondContact O-N 2.78Å; S63-E66 VanDerWaalsContact O-N 3.16Å; S63-E66 WeakPolarHBondContact OG-CB 3.48Å; S63-E66 VanDerWaalsContact OG-CD 3.27Å; S63-E66 WeakPolarHBondContact OG-CG 3.46Å; S63-E66 PolarHBondContact OG-N 2.86Å; S63-E66 PolarHBondContact OG-OE2 2.67Å; S63-L67 PolarHBondContact O-N 2.87Å; S63-T163 WeakPolarHBondContact CB-O 3.15Å | ||
| 64 | G | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.5 | -36 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L67 F68 Q160 | G64-L67 PolarHBondContact O-N 2.84Å; G64-F68 VanDerWaalsContact O-CB 3.24Å; G64-F68 WeakPolarHBondContact O-CB 3.43Å; G64-F68 PolarHBondContact O-N 2.77Å; G64-Q160 VanDerWaalsContact N-CD 3.33Å; G64-Q160 VanDerWaalsContact N-NE2 3.14Å |
| 65 | S | 96.1 | Very high | 97 | Very high | 45 Ų | 45 | 22 Ų | 22 | 32% | 0.315 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 173.7 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | S63 F68 D69 | S63-S65 VanDerWaalsContact C-N 3.27Å; S63-S65 PolarHBondContact O-N 3.44Å; S63-S65 PolarHBondContact OG-OG 3.19Å; S63-S65 VanDerWaalsContact OG-OG 3.06Å; S65-F68 PolarHBondContact O-N 2.9Å; S65-D69 WeakPolarHBondContact O-CB 3.39Å; S65-D69 PolarHBondContact O-N 2.78Å |
| 66 | E | 97.4 | Very high | 97.2 | Very high | 39 Ų | 39 | 22.3 Ų | 22.3 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.8 | -41.6 | 177.9 | -75.9 | 164.6 | 128.6 | 0 | 0 | 111.3 | V62 S63 C70 N208 | V62-E66 HydrophobicContact CG1-CB 3.9Å; S63-E66 VanDerWaalsContact CB-OE2 3.29Å; S63-E66 WeakPolarHBondContact CB-OE2 3.27Å; S63-E66 PolarHBondContact N-OE2 2.65Å; S63-E66 PolarHBondContact O-N 2.78Å; S63-E66 VanDerWaalsContact O-N 3.16Å; S63-E66 WeakPolarHBondContact OG-CB 3.48Å; S63-E66 VanDerWaalsContact OG-CD 3.27Å; S63-E66 WeakPolarHBondContact OG-CG 3.46Å; S63-E66 PolarHBondContact OG-N 2.86Å; S63-E66 PolarHBondContact OG-OE2 2.67Å; E66-C70 WeakPolarHBondContact O-CB 3.36Å; E66-C70 PolarHBondContact O-N 3.49Å; E66-N208 WeakPolarHBondContact CG-ND2 3.34Å; E66-N208 PolarHBondContact OE1-ND2 3.11Å |
| 67 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.6 | 176.6 | 57.7 | 0 | 0 | 0 | 111.1 | F59 V62 S63 G64 C70 I71 I158 M168 L200 C204 | F59-L67 HydrophobicContact CD1-CD1 4.13Å; F59-L67 HydrophobicContact CD1-CD2 4.2Å; F59-L67 HydrophobicContact CD2-CD2 4.36Å; F59-L67 HydrophobicContact CE1-CD1 3.67Å; F59-L67 HydrophobicContact CE1-CD2 4.25Å; F59-L67 HydrophobicContact CE2-CD2 4.41Å; F59-L67 HydrophobicContact CG-CD2 4.27Å; F59-L67 HydrophobicContact CZ-CD1 4.14Å; F59-L67 HydrophobicContact CZ-CD2 4.37Å; V62-L67 HydrophobicContact CG1-CB 4.21Å; S63-L67 PolarHBondContact O-N 2.87Å; G64-L67 PolarHBondContact O-N 2.84Å; L67-C70 PolarHBondContact O-N 3.35Å; L67-I71 HydrophobicContact CD1-CD1 3.72Å; L67-I71 HydrophobicContact CD1-CG1 4.19Å; L67-I71 HydrophobicContact CG-CD1 3.95Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 2.65Å; L67-I71 VanDerWaalsContact O-N 3.09Å; L67-I158 HydrophobicContact CB-CD1 4.41Å; L67-I158 HydrophobicContact CB-CG2 4.48Å; L67-I158 HydrophobicContact CD2-CD1 4.13Å; L67-I158 HydrophobicContact CD2-CG1 3.89Å; L67-I158 HydrophobicContact CD2-CG2 3.9Å; L67-I158 HydrophobicContact CG-CD1 3.85Å; L67-I158 HydrophobicContact CG-CG1 4.19Å; L67-I158 HydrophobicContact CG-CG2 4.45Å; L67-M168 HydrophobicContact CD1-SD 4.42Å; L67-M168 HydrophobicContact CD2-CB 3.77Å; L67-M168 HydrophobicContact CD2-CG 4.01Å; L67-M168 HydrophobicContact CD2-SD 4.15Å; L67-L200 HydrophobicContact CD1-CD1 4.09Å; L67-L200 HydrophobicContact CD1-CD2 4.03Å; L67-L200 HydrophobicContact CD1-CG 4.06Å; L67-C204 WeakPolarHBondContact CD1-SG 3.47Å |
| 68 | F | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.022 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -52.5 | 177.2 | 176.8 | -106.4 | 0 | 0 | 0 | 111.5 | G64 S65 C70 I71 M72 W121 Y128 I130 I158 W221 L222 | G64-F68 VanDerWaalsContact O-CB 3.24Å; G64-F68 WeakPolarHBondContact O-CB 3.43Å; G64-F68 PolarHBondContact O-N 2.77Å; S65-F68 PolarHBondContact O-N 2.9Å; F68-C70 VanDerWaalsContact C-N 3.33Å; F68-C70 PolarHBondContact O-N 3.16Å; F68-I71 PolarHBondContact O-N 3.21Å; F68-I71 VanDerWaalsContact O-N 3.16Å; F68-M72 HydrophobicContact CD1-CG 4.39Å; F68-M72 HydrophobicContact CD2-CG 4.12Å; F68-M72 HydrophobicContact CE1-CG 4.09Å; F68-M72 HydrophobicContact CE2-CG 3.8Å; F68-M72 HydrophobicContact CE2-SD 4.29Å; F68-M72 HydrophobicContact CG-CG 4.41Å; F68-M72 HydrophobicContact CZ-CG 3.78Å; F68-M72 HydrophobicContact CZ-SD 4.47Å; F68-M72 WeakPolarHBondContact O-CB 3.46Å; F68-M72 WeakPolarHBondContact O-CG 3.48Å; F68-M72 PolarHBondContact O-N 2.77Å; F68-W121 HydrophobicContact CE2-CB 4.14Å; F68-W121 HydrophobicContact CZ-CB 4.24Å; F68-W121 AromaticContact CZ-CD1 3.79Å; F68-W121 HydrophobicContact CZ-CG 4.22Å; F68-Y128 HydrophobicContact CB-CD1 3.89Å; F68-Y128 HydrophobicContact CB-CG 3.95Å; F68-Y128 AromaticContact CD1-CD1 3.79Å; F68-Y128 HydrophobicContact CD1-CD1 3.79Å; F68-Y128 HydrophobicContact CD1-CE1 4.28Å; F68-Y128 AromaticContact CD2-CD1 3.97Å; F68-Y128 HydrophobicContact CD2-CD1 3.97Å; F68-Y128 HydrophobicContact CD2-CG 4.15Å; F68-Y128 HydrophobicContact CE1-CD1 4.26Å; F68-Y128 HydrophobicContact CE2-CD1 4.43Å; F68-Y128 AromaticContact CG-CD1 3.61Å; F68-Y128 HydrophobicContact CG-CD1 3.61Å; F68-Y128 HydrophobicContact CG-CE1 4.42Å; F68-Y128 AromaticContact CG-CG 4Å; F68-Y128 HydrophobicContact CG-CG 4Å; F68-I130 HydrophobicContact CD2-CD1 3.72Å; F68-I130 HydrophobicContact CD2-CG1 3.87Å; F68-I130 HydrophobicContact CE2-CD1 3.84Å; F68-I130 HydrophobicContact CE2-CG1 3.57Å; F68-I158 HydrophobicContact CB-CD1 3.99Å; F68-I158 HydrophobicContact CD2-CD1 4.44Å; F68-W221 AromaticContact CE1-CD1 3.66Å; F68-L222 HydrophobicContact CD1-CD2 4.34Å; F68-L222 HydrophobicContact CE1-CD2 3.78Å |
| 69 | D | 98.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 178.4 | -75.6 | -15.9 | 0 | 0 | 0 | 111.9 | S65 I71 M72 D73 Y207 K219 W221 | S65-D69 WeakPolarHBondContact O-CB 3.39Å; S65-D69 PolarHBondContact O-N 2.78Å; D69-I71 VanDerWaalsContact C-N 3.25Å; D69-I71 PolarHBondContact O-N 3.06Å; D69-M72 PolarHBondContact O-N 2.94Å; D69-D73 VanDerWaalsContact O-CB 3.25Å; D69-D73 WeakPolarHBondContact O-CB 3.34Å; D69-D73 PolarHBondContact O-N 2.79Å; D69-Y207 HydrophobicContact CB-CD1 4.17Å; D69-Y207 HydrophobicContact CB-CE1 3.33Å; D69-K219 IonicContact OD2-NZ 3.39Å; D69-K219 PolarHBondContact OD2-NZ 3.06Å; D69-W221 HydrophobicContact CB-CZ2 4.41Å; D69-W221 PolarHBondContact OD1-NE1 2.77Å |
| 70 | C | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -32.5 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 113.1 | E66 L67 F68 Y207 | E66-C70 WeakPolarHBondContact O-CB 3.36Å; E66-C70 PolarHBondContact O-N 3.49Å; L67-C70 PolarHBondContact O-N 3.35Å; F68-C70 VanDerWaalsContact C-N 3.33Å; F68-C70 PolarHBondContact O-N 3.16Å; C70-Y207 HydrophobicContact CB-CD2 4.35Å; C70-Y207 HydrophobicContact CB-CG 4.11Å |
| 71 | I | 98.1 | Very high | 96.7 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -80.4 | -38.4 | 176.9 | -66.6 | 162.9 | 0 | 0 | 0 | 110.8 | L67 F68 D69 I130 Y156 I158 L200 | L67-I71 HydrophobicContact CD1-CD1 3.72Å; L67-I71 HydrophobicContact CD1-CG1 4.19Å; L67-I71 HydrophobicContact CG-CD1 3.95Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 2.65Å; L67-I71 VanDerWaalsContact O-N 3.09Å; F68-I71 PolarHBondContact O-N 3.21Å; F68-I71 VanDerWaalsContact O-N 3.16Å; D69-I71 VanDerWaalsContact C-N 3.25Å; D69-I71 PolarHBondContact O-N 3.06Å; I71-I130 HydrophobicContact CB-CD1 3.99Å; I71-I130 HydrophobicContact CG2-CD1 3.55Å; I71-Y156 HydrophobicContact CD1-CD1 3.6Å; I71-Y156 HydrophobicContact CD1-CE1 4.05Å; I71-Y156 HydrophobicContact CD1-CG 3.93Å; I71-Y156 HydrophobicContact CG2-CD2 4.04Å; I71-Y156 HydrophobicContact CG2-CE2 4.03Å; I71-Y156 HydrophobicContact CG2-CG 4.36Å; I71-I158 HydrophobicContact CD1-CD1 4.07Å; I71-L200 HydrophobicContact CD1-CD2 4.34Å; I71-L200 HydrophobicContact CG1-CD1 4.01Å; I71-L200 HydrophobicContact CG1-CD2 4.38Å |
| 72 | M | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -76.1 | -30 | -176.2 | -70.3 | -56.9 | -67.2 | 0 | 0 | 113.7 | F68 D69 S74 W121 I130 W221 | F68-M72 HydrophobicContact CD1-CG 4.39Å; F68-M72 HydrophobicContact CD2-CG 4.12Å; F68-M72 HydrophobicContact CE1-CG 4.09Å; F68-M72 HydrophobicContact CE2-CG 3.8Å; F68-M72 HydrophobicContact CE2-SD 4.29Å; F68-M72 HydrophobicContact CG-CG 4.41Å; F68-M72 HydrophobicContact CZ-CG 3.78Å; F68-M72 HydrophobicContact CZ-SD 4.47Å; F68-M72 WeakPolarHBondContact O-CB 3.46Å; F68-M72 WeakPolarHBondContact O-CG 3.48Å; F68-M72 PolarHBondContact O-N 2.77Å; D69-M72 PolarHBondContact O-N 2.94Å; M72-S74 PolarHBondContact O-N 3.12Å; M72-W121 HydrophobicContact CE-CB 4.25Å; M72-W121 HydrophobicContact CE-CD2 3.28Å; M72-W121 HydrophobicContact CE-CE3 3.43Å; M72-W121 VanDerWaalsContact CE-CE3 3.43Å; M72-W121 HydrophobicContact CE-CG 3.67Å; M72-W121 HydrophobicContact CE-CH2 4.23Å; M72-W121 HydrophobicContact CE-CZ2 4.14Å; M72-W121 HydrophobicContact CE-CZ3 3.9Å; M72-W121 HydrophobicContact SD-CB 4.37Å; M72-W121 HydrophobicContact SD-CD2 4.47Å; M72-W121 HydrophobicContact SD-CG 4.38Å; M72-I130 HydrophobicContact CG-CD1 3.83Å; M72-I130 HydrophobicContact CG-CG1 4.45Å; M72-I130 HydrophobicContact SD-CD1 3.48Å; M72-I130 WeakPolarHBondContact SD-CD1 3.31Å; M72-I130 HydrophobicContact SD-CG1 3.73Å; M72-I130 HydrophobicContact SD-CG2 4.08Å; M72-W221 HydrophobicContact CB-CB 4.14Å; M72-W221 HydrophobicContact CB-CD2 3.57Å; M72-W221 HydrophobicContact CB-CE3 4.16Å; M72-W221 HydrophobicContact CB-CG 3.53Å; M72-W221 HydrophobicContact CE-CB 3.51Å; M72-W221 HydrophobicContact CE-CG 4.19Å; M72-W221 HydrophobicContact CG-CB 4.33Å; M72-W221 HydrophobicContact CG-CG 4.04Å |
| 73 | D | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | trans | -74.2 | 95.5 | -177.6 | -163 | -38.8 | 0 | 0 | 0 | 111.7 | D69 D75 Y76 R77 Y207 K211 W221 | D69-D73 VanDerWaalsContact O-CB 3.25Å; D69-D73 WeakPolarHBondContact O-CB 3.34Å; D69-D73 PolarHBondContact O-N 2.79Å; D73-D75 VanDerWaalsContact C-N 3.28Å; D73-D75 PolarHBondContact O-N 2.87Å; D73-D75 PolarHBondContact OD1-N 3.04Å; D73-Y76 PolarHBondContact O-N 2.81Å; D73-Y76 PolarHBondContact OD1-N 2.91Å; D73-R77 PolarHBondContact O-N 3.49Å; D73-Y207 HydrophobicContact CB-CE2 3.87Å; D73-Y207 PolarHBondContact OD2-OH 3.24Å; D73-Y207 VanDerWaalsContact OD2-OH 3.07Å; D73-K211 WeakPolarHBondContact OD2-CD 3.39Å; D73-K211 WeakPolarHBondContact OD2-CE 3.33Å; D73-K211 IonicContact OD2-NZ 3.07Å; D73-K211 PolarHBondContact OD2-NZ 3.46Å; D73-W221 HydrophobicContact CB-CH2 3.44Å; D73-W221 VanDerWaalsContact CB-CH2 3.44Å; D73-W221 HydrophobicContact CB-CZ2 3.93Å; D73-W221 HydrophobicContact CB-CZ3 4.07Å; D73-W221 VanDerWaalsContact CG-CH2 3.48Å; D73-W221 WeakPolarHBondContact OD2-CH2 3.29Å | ||
| 74 | S | 95.6 | Very high | 95.8 | Very high | 24 Ų | 24 | 36 Ų | 36 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.8 | -24.4 | -177.5 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | M72 E89 | M72-S74 PolarHBondContact O-N 3.12Å; S74-E89 WeakPolarHBondContact CB-OE1 3.34Å; S74-E89 PolarHBondContact OG-OE1 3.46Å; S74-E89 PolarHBondContact OG-OE2 3.48Å |
| 75 | D | 95.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 39.5 Ų | 39.5 | 34% | 0.337 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -71.2 | -43.5 | 170.8 | -75.3 | -30.7 | 0 | 0 | 0 | 110.7 | D73 R77 K78 W210 | D73-D75 VanDerWaalsContact C-N 3.28Å; D73-D75 PolarHBondContact O-N 2.87Å; D73-D75 PolarHBondContact OD1-N 3.04Å; D75-R77 VanDerWaalsContact C-N 3.29Å; D75-R77 PolarHBondContact O-N 2.93Å; D75-K78 WeakPolarHBondContact O-CB 3.35Å; D75-K78 PolarHBondContact O-N 3.08Å; D75-K78 IonicContact OD1-NZ 3.42Å; D75-K78 PolarHBondContact OD1-NZ 3.43Å; D75-W210 HydrophobicContact CB-CH2 4Å |
| 76 | Y | 97.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -36 | 175.5 | -168.7 | -128.9 | 0 | 0 | 0 | 112.6 | D73 K78 E79 W80 A203 K206 Y207 W210 | D73-Y76 PolarHBondContact O-N 2.81Å; D73-Y76 PolarHBondContact OD1-N 2.91Å; Y76-K78 PolarHBondContact O-N 2.79Å; Y76-K78 VanDerWaalsContact O-N 3.09Å; Y76-E79 HydrophobicContact CD2-CB 4.08Å; Y76-E79 HydrophobicContact CD2-CG 4.11Å; Y76-E79 HydrophobicContact CE2-CB 4.17Å; Y76-E79 HydrophobicContact CE2-CG 4.49Å; Y76-E79 VanDerWaalsContact O-CB 3.28Å; Y76-E79 WeakPolarHBondContact O-CB 3.46Å; Y76-E79 PolarHBondContact O-N 2.87Å; Y76-W80 AromaticContact CD1-CD1 3.46Å; Y76-W80 VanDerWaalsContact CD1-CD1 3.46Å; Y76-W80 AromaticContact CD1-NE1 3.46Å; Y76-W80 AromaticContact CE1-CD1 3.51Å; Y76-W80 AromaticContact CE1-NE1 3.8Å; Y76-W80 AromaticContact CG-CD1 3.94Å; Y76-A203 HydrophobicContact CE1-CB 4.08Å; Y76-A203 PolarHBondContact OH-O 2.99Å; Y76-K206 WeakPolarHBondContact OH-CB 3.25Å; Y76-Y207 AromaticContact CD1-CD2 3.38Å; Y76-Y207 HydrophobicContact CD1-CD2 3.38Å; Y76-Y207 HydrophobicContact CD1-CE2 4.07Å; Y76-Y207 HydrophobicContact CD1-CG 4.33Å; Y76-Y207 HydrophobicContact CD2-CD2 4.47Å; Y76-Y207 AromaticContact CE1-CD2 3.7Å; Y76-Y207 HydrophobicContact CE1-CD2 3.7Å; Y76-Y207 HydrophobicContact CE1-CG 4.27Å; Y76-Y207 AromaticContact CG-CD2 3.79Å; Y76-Y207 HydrophobicContact CG-CD2 3.79Å; Y76-Y207 HydrophobicContact CG-CE2 4.18Å; Y76-W210 HydrophobicContact CD2-CB 4.12Å; Y76-W210 AromaticContact CD2-CD2 3.19Å; Y76-W210 HydrophobicContact CD2-CD2 3.19Å; Y76-W210 AromaticContact CD2-CE2 3.58Å; Y76-W210 AromaticContact CD2-CE3 3.34Å; Y76-W210 HydrophobicContact CD2-CE3 3.34Å; Y76-W210 AromaticContact CD2-CG 3.53Å; Y76-W210 HydrophobicContact CD2-CG 3.53Å; Y76-W210 HydrophobicContact CD2-CH2 4.2Å; Y76-W210 HydrophobicContact CD2-CZ2 4.07Å; Y76-W210 AromaticContact CD2-CZ3 3.87Å; Y76-W210 HydrophobicContact CD2-CZ3 3.87Å; Y76-W210 HydrophobicContact CE2-CB 3.6Å; Y76-W210 AromaticContact CE2-CD1 3.89Å; Y76-W210 AromaticContact CE2-CD2 3.64Å; Y76-W210 HydrophobicContact CE2-CD2 3.64Å; Y76-W210 HydrophobicContact CE2-CE3 4.04Å; Y76-W210 AromaticContact CE2-CG 3.41Å; Y76-W210 HydrophobicContact CE2-CG 3.41Å; Y76-W210 VanDerWaalsContact CE2-CG 3.41Å; Y76-W210 HydrophobicContact CG-CD2 4.12Å; Y76-W210 AromaticContact CG-CE3 3.81Å; Y76-W210 HydrophobicContact CG-CE3 3.81Å; Y76-W210 HydrophobicContact CG-CH2 4.45Å; Y76-W210 HydrophobicContact CG-CZ3 4.01Å |
| 77 | R | 96.1 | Very high | 95.6 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 21% | 0.211 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -51.2 | -36.9 | 179 | -170.6 | 63.6 | 160.9 | 131.3 | 12.7 | 112.7 | D73 D75 E79 W80 D81 | D73-R77 PolarHBondContact O-N 3.49Å; D75-R77 VanDerWaalsContact C-N 3.29Å; D75-R77 PolarHBondContact O-N 2.93Å; R77-E79 VanDerWaalsContact C-N 3.26Å; R77-E79 PolarHBondContact O-N 3.47Å; R77-W80 VanDerWaalsContact CD-CZ2 3.43Å; R77-W80 PolarHBondContact O-N 3.31Å; R77-D81 HydrophobicContact CG-CB 4.28Å; R77-D81 IonicContact CZ-OD2 3.18Å; R77-D81 IonicContact NE-OD2 3.16Å; R77-D81 VanDerWaalsContact NH1-CG 3.25Å; R77-D81 IonicContact NH1-OD2 2.77Å; R77-D81 PolarHBondContact NH1-OD2 3.28Å; R77-D81 IonicContact NH2-OD2 2.85Å; R77-D81 PolarHBondContact NH2-OD2 3.35Å; R77-D81 WeakPolarHBondContact O-CB 3.16Å; R77-D81 PolarHBondContact O-N 3.36Å |
| 78 | K | 92.8 | Very high | 95.6 | Very high | 107 Ų | 107 | 43.1 Ų | 43.1 | 47% | 0.465 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.5 | -28.7 | 178.9 | -60.4 | 163.6 | -169.1 | 162.8 | 0 | 112.8 | D75 Y76 | D75-K78 WeakPolarHBondContact O-CB 3.35Å; D75-K78 PolarHBondContact O-N 3.08Å; D75-K78 IonicContact OD1-NZ 3.42Å; D75-K78 PolarHBondContact OD1-NZ 3.43Å; Y76-K78 PolarHBondContact O-N 2.79Å; Y76-K78 VanDerWaalsContact O-N 3.09Å |
| 79 | E | 94.2 | Very high | 95.6 | Very high | 106 Ų | 106 | 45.3 Ų | 45.3 | 50% | 0.495 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.5 | -38.3 | -177.9 | -64 | -59.1 | 135.8 | 0 | 0 | 112.2 | Y76 R77 K82 W210 | Y76-E79 HydrophobicContact CD2-CB 4.08Å; Y76-E79 HydrophobicContact CD2-CG 4.11Å; Y76-E79 HydrophobicContact CE2-CB 4.17Å; Y76-E79 HydrophobicContact CE2-CG 4.49Å; Y76-E79 VanDerWaalsContact O-CB 3.28Å; Y76-E79 WeakPolarHBondContact O-CB 3.46Å; Y76-E79 PolarHBondContact O-N 2.87Å; R77-E79 VanDerWaalsContact C-N 3.26Å; R77-E79 PolarHBondContact O-N 3.47Å; E79-K82 WeakPolarHBondContact O-CE 3.39Å; E79-K82 PolarHBondContact O-NZ 3.19Å; E79-W210 HydrophobicContact CG-CZ2 4.27Å |
| 80 | W | 94.5 | Very high | 95.5 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -113.8 | -24.9 | -169.2 | 65.6 | -98.3 | 0 | 0 | 0 | 114.4 | Y76 R77 K82 I199 L200 A203 | Y76-W80 AromaticContact CD1-CD1 3.46Å; Y76-W80 VanDerWaalsContact CD1-CD1 3.46Å; Y76-W80 AromaticContact CD1-NE1 3.46Å; Y76-W80 AromaticContact CE1-CD1 3.51Å; Y76-W80 AromaticContact CE1-NE1 3.8Å; Y76-W80 AromaticContact CG-CD1 3.94Å; R77-W80 VanDerWaalsContact CD-CZ2 3.43Å; R77-W80 PolarHBondContact O-N 3.31Å; W80-K82 PolarHBondContact O-N 3.33Å; W80-I199 HydrophobicContact CE3-CG2 3.68Å; W80-I199 HydrophobicContact CZ3-CG2 3.94Å; W80-L200 HydrophobicContact CH2-CB 4.01Å; W80-L200 HydrophobicContact CH2-CD1 3.45Å; W80-L200 VanDerWaalsContact CH2-CD1 3.45Å; W80-L200 HydrophobicContact CH2-CG 4.26Å; W80-L200 HydrophobicContact CZ2-CD1 3.73Å; W80-L200 HydrophobicContact CZ3-CB 4.13Å; W80-L200 HydrophobicContact CZ3-CD1 4.32Å; W80-A203 HydrophobicContact CB-CB 3.79Å; W80-A203 HydrophobicContact CD2-CB 3.47Å; W80-A203 VanDerWaalsContact CD2-CB 3.47Å; W80-A203 HydrophobicContact CE3-CB 3.95Å; W80-A203 HydrophobicContact CG-CB 3.41Å; W80-A203 VanDerWaalsContact CG-CB 3.41Å; W80-A203 HydrophobicContact CZ2-CB 4.46Å |
| 81 | D | 93.4 | Very high | 95.5 | Very high | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.08 | 23% | 0.225 | C | C | . | . | trans | -93.2 | 93.2 | 177.2 | -169.2 | 2 | 0 | 0 | 0 | 112.9 | R77 S83 M84 | R77-D81 HydrophobicContact CG-CB 4.28Å; R77-D81 IonicContact CZ-OD2 3.18Å; R77-D81 IonicContact NE-OD2 3.16Å; R77-D81 VanDerWaalsContact NH1-CG 3.25Å; R77-D81 IonicContact NH1-OD2 2.77Å; R77-D81 PolarHBondContact NH1-OD2 3.28Å; R77-D81 IonicContact NH2-OD2 2.85Å; R77-D81 PolarHBondContact NH2-OD2 3.35Å; R77-D81 WeakPolarHBondContact O-CB 3.16Å; R77-D81 PolarHBondContact O-N 3.36Å; D81-S83 PolarHBondContact O-N 3.31Å; D81-S83 WeakPolarHBondContact OD1-CA 3.4Å; D81-S83 WeakPolarHBondContact OD1-CB 3.29Å; D81-S83 PolarHBondContact OD1-N 2.77Å; D81-S83 PolarHBondContact OD1-OG 3.49Å; D81-S83 PolarHBondContact OD2-OG 3.02Å; D81-M84 HydrophobicContact CB-CB 4.16Å; D81-M84 PolarHBondContact O-N 3.43Å; D81-M84 PolarHBondContact OD1-N 3.49Å | ||
| 82 | K | 91 | Very high | 95.5 | Very high | 147 Ų | 147 | 47.4 Ų | 47.4 | 64% | 0.639 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.9 | 177 | -52.7 | -54.3 | 173.8 | -164.9 | 0 | 113.8 | E79 W80 | E79-K82 WeakPolarHBondContact O-CE 3.39Å; E79-K82 PolarHBondContact O-NZ 3.19Å; W80-K82 PolarHBondContact O-N 3.33Å |
| 83 | S | 89.6 | Confident | 95.4 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -22.1 | 173.7 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | D81 I85 R105 | D81-S83 PolarHBondContact O-N 3.31Å; D81-S83 WeakPolarHBondContact OD1-CA 3.4Å; D81-S83 WeakPolarHBondContact OD1-CB 3.29Å; D81-S83 PolarHBondContact OD1-N 2.77Å; D81-S83 PolarHBondContact OD1-OG 3.49Å; D81-S83 PolarHBondContact OD2-OG 3.02Å; S83-I85 PolarHBondContact O-N 2.93Å; S83-R105 WeakPolarHBondContact O-CB 3.41Å; S83-R105 PolarHBondContact O-N 3.33Å |
| 84 | M | 92.9 | Very high | 95.2 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 14% | 0.143 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 111 | 176.8 | -167.4 | 67 | 70.8 | 0 | 0 | 110.2 | D81 Y102 L104 | D81-M84 HydrophobicContact CB-CB 4.16Å; D81-M84 PolarHBondContact O-N 3.43Å; D81-M84 PolarHBondContact OD1-N 3.49Å; M84-Y102 HydrophobicContact CE-CD1 3.97Å; M84-Y102 HydrophobicContact SD-CD1 4.37Å; M84-L104 HydrophobicContact CB-CD2 4.49Å; M84-L104 HydrophobicContact CE-CD2 3.72Å; M84-L104 HydrophobicContact SD-CD2 3.69Å |
| 85 | I | 94.7 | Very high | 95.1 | Very high | 72 Ų | 72 | 51.3 Ų | 51.3 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -44.9 | 176.7 | -63.2 | 171.8 | 0 | 0 | 0 | 109.8 | S83 S103 R105 N112 | S83-I85 PolarHBondContact O-N 2.93Å; I85-S103 WeakPolarHBondContact CB-O 3.25Å; I85-S103 PolarHBondContact N-O 3.15Å; I85-R105 HydrophobicContact CD1-CB 4.01Å; I85-R105 HydrophobicContact CG1-CB 4.08Å; I85-N112 HydrophobicContact CD1-CB 4.11Å; I85-N112 VanDerWaalsContact CD1-ND2 3.28Å; I85-N112 WeakPolarHBondContact CD1-ND2 3.37Å |
| 86 | E | 95.3 | Very high | 95.2 | Very high | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 138.2 | -175.3 | -175.5 | -174.2 | 162.9 | 0 | 0 | 109 | Y88 Y101 S103 R143 | E86-Y88 HydrophobicContact CG-CD1 4.37Å; E86-Y88 WeakPolarHBondContact OE1-CE1 3.3Å; E86-Y101 HydrophobicContact CG-CD1 4.44Å; E86-Y101 HydrophobicContact CG-CE1 4.39Å; E86-S103 PolarHBondContact N-O 3.48Å; E86-S103 PolarHBondContact O-N 2.87Å; E86-R143 IonicContact OE1-CZ 3.63Å; E86-R143 IonicContact OE1-NH1 3.33Å; E86-R143 PolarHBondContact OE1-NH1 3.34Å; E86-R143 IonicContact OE1-NH2 2.95Å; E86-R143 PolarHBondContact OE1-NH2 2.99Å; E86-R143 IonicContact OE2-CZ 3.66Å; E86-R143 IonicContact OE2-NH1 2.66Å; E86-R143 PolarHBondContact OE2-NH1 3.01Å; E86-R143 IonicContact OE2-NH2 3.75Å |
| 87 | S | 96.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 144.6 | 169 | 59.6 | 0 | 0 | 0 | 0 | 110.5 | Y101 | S87-Y101 WeakPolarHBondContact CA-O 3.29Å |
| 88 | Y | 97.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 48.2 Ų | 48.2 | 29% | 0.286 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 147.4 | 171.8 | 59.2 | -92.7 | 0 | 0 | 0 | 110.9 | E86 L90 G100 Y101 I140 | E86-Y88 HydrophobicContact CG-CD1 4.37Å; E86-Y88 WeakPolarHBondContact OE1-CE1 3.3Å; Y88-L90 HydrophobicContact CE2-CB 4.49Å; Y88-G100 CarbonylContact O-C 3.51Å; Y88-G100 VanDerWaalsContact O-CA 3.25Å; Y88-G100 WeakPolarHBondContact O-CA 3.35Å; Y88-Y101 HydrophobicContact CD1-CD1 4.02Å; Y88-Y101 HydrophobicContact CD1-CG 4.47Å; Y88-Y101 AromaticContact CE1-CD1 3.4Å; Y88-Y101 HydrophobicContact CE1-CD1 3.4Å; Y88-Y101 VanDerWaalsContact CE1-CD1 3.4Å; Y88-Y101 HydrophobicContact CE1-CE1 4.37Å; Y88-Y101 AromaticContact CE1-CG 3.76Å; Y88-Y101 HydrophobicContact CE1-CG 3.76Å; Y88-Y101 VanDerWaalsContact CZ-CB 3.44Å; Y88-Y101 AromaticContact CZ-CG 3.91Å; Y88-Y101 PolarHBondContact N-O 3.03Å; Y88-Y101 VanDerWaalsContact N-O 3.13Å; Y88-Y101 PolarHBondContact O-N 3.39Å; Y88-I140 HydrophobicContact CE2-CD1 4.43Å |
| 89 | E | 97.7 | Very high | 95.5 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 23% | 0.234 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 130.8 | 167.6 | -64.1 | 77 | -171.6 | 0 | 0 | 109.9 | S74 R119 L229 | S74-E89 WeakPolarHBondContact CB-OE1 3.34Å; S74-E89 PolarHBondContact OG-OE1 3.46Å; S74-E89 PolarHBondContact OG-OE2 3.48Å; E89-R119 IonicContact OE1-NH2 2.74Å; E89-R119 PolarHBondContact OE1-NH2 3.34Å; E89-R119 VanDerWaalsContact OE1-NH2 3.16Å; E89-L229 HydrophobicContact CB-CD1 3.78Å; E89-L229 HydrophobicContact CB-CD2 3.95Å |
| 90 | L | 98 | Very high | 95.7 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 23% | 0.225 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -54.9 | -177.1 | 175.4 | 70.7 | 0 | 0 | 0 | 111.7 | Y88 I99 H137 I140 P230 | Y88-L90 HydrophobicContact CE2-CB 4.49Å; L90-I99 WeakPolarHBondContact CA-O 3.46Å; L90-I99 WeakPolarHBondContact CB-O 3.14Å; L90-I99 PolarHBondContact N-O 3Å; L90-H137 VanDerWaalsContact CD2-CE1 3.49Å; L90-H137 WeakPolarHBondContact CD2-CE1 3.34Å; L90-H137 WeakPolarHBondContact CD2-ND1 3.3Å; L90-I140 HydrophobicContact CB-CD1 4.23Å; L90-I140 HydrophobicContact CD2-CD1 3.62Å; L90-I140 HydrophobicContact CD2-CG1 3.96Å; L90-I140 HydrophobicContact CG-CD1 4.38Å; L90-P230 WeakPolarHBondContact O-CG 3.4Å |
| 91 | C | 98.2 | Very high | 95.9 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.034 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 156.9 | -174.1 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | D98 I99 P230 | C91-D98 CarbonylContact O-C 3.53Å; C91-D98 VanDerWaalsContact O-CA 3.29Å; C91-D98 WeakPolarHBondContact O-CA 3.1Å; C91-D98 WeakPolarHBondContact O-CB 3.44Å; C91-I99 PolarHBondContact N-O 2.95Å; C91-I99 PolarHBondContact O-N 2.95Å; C91-P230 CarbonylContact C-O 3.56Å; C91-P230 VanDerWaalsContact CA-O 3.23Å; C91-P230 WeakPolarHBondContact CA-O 3.24Å; C91-P230 HydrophobicContact CB-CG 4.24Å; C91-P230 VanDerWaalsContact CB-O 3.25Å; C91-P230 WeakPolarHBondContact CB-O 3.38Å |
| 92 | Q | 97.5 | Very high | 96.1 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.6 | 176.2 | -176 | -178.5 | 46.3 | 0 | 0 | 110.3 | H94 I227 L229 P230 L231 L232 | Q92-H94 VanDerWaalsContact CG-O 3.22Å; Q92-H94 WeakPolarHBondContact CG-O 3.32Å; Q92-I227 HydrophobicContact CB-CG2 4.47Å; Q92-L229 HydrophobicContact CB-CB 4.19Å; Q92-P230 PolarHBondContact N-O 2.79Å; Q92-L231 HydrophobicContact CB-CD2 4.36Å; Q92-L231 HydrophobicContact CG-CD2 4.49Å; Q92-L232 WeakPolarHBondContact O-CB 3.45Å; Q92-L232 PolarHBondContact O-N 2.84Å |
| 93 | V | 96.6 | Very high | 96.3 | Very high | 25 Ų | 25 | 30.3 Ų | 30.3 | 15% | 0.152 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -49 | 171.4 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | I9 S97 I99 Q118 L232 | I9-V93 HydrophobicContact CG2-CG1 3.59Å; V93-S97 PolarHBondContact N-O 2.95Å; V93-I99 HydrophobicContact CG2-CD1 4.15Å; V93-I99 HydrophobicContact CG2-CG1 3.78Å; V93-Q118 HydrophobicContact CG2-CG 4.4Å; V93-L232 HydrophobicContact CG1-CD2 4.24Å; V93-L232 HydrophobicContact CG2-CD2 4.1Å |
| 94 | H | 93.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 30.9 Ų | 30.9 | 12% | 0.116 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 176.6 | 173.5 | 68.5 | 74.7 | 0 | 0 | 0 | 109.1 | S11 Q92 Q96 S97 | S11-H94 PolarHBondContact O-CD2 3.35Å; Q92-H94 VanDerWaalsContact CG-O 3.22Å; Q92-H94 WeakPolarHBondContact CG-O 3.32Å; H94-Q96 VanDerWaalsContact CE1-C 3.46Å; H94-Q96 PolarHBondContact ND1-N 3.27Å; H94-Q96 PolarHBondContact ND1-OE1 2.85Å; H94-Q96 PolarHBondContact O-N 3.04Å; H94-S97 VanDerWaalsContact CD2-CB 3.47Å; H94-S97 WeakPolarHBondContact CD2-CB 3.4Å; H94-S97 VanDerWaalsContact CE1-CB 3.43Å; H94-S97 WeakPolarHBondContact CE1-CB 3.14Å; H94-S97 PolarHBondContact N-O 3.29Å; H94-S97 WeakPolarHBondContact NE2-CB 3.36Å; H94-S97 PolarHBondContact O-N 3.48Å |
| 95 | P | 93.9 | Very high | 96.4 | Very high | 61 Ų | 61 | 36.8 Ų | 36.8 | 40% | 0.396 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -30.3 | -171.9 | -30.6 | 37.8 | 0 | 0 | 0 | 116.2 | P224 I227 | P95-P224 HydrophobicContact CB-CB 3.89Å; P95-P224 HydrophobicContact CB-CG 4.04Å; P95-I227 VanDerWaalsContact O-CD1 3.31Å; P95-I227 WeakPolarHBondContact O-CD1 3.49Å |
| 96 | Q | 96.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 34.3 Ų | 34.3 | 26% | 0.262 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 24.2 | 177.9 | -51.6 | 84.5 | -19.1 | 0 | 0 | 113.3 | T13 H94 T120 W121 | T13-Q96 HydrophobicContact CG2-CB 4Å; H94-Q96 VanDerWaalsContact CE1-C 3.46Å; H94-Q96 PolarHBondContact ND1-N 3.27Å; H94-Q96 PolarHBondContact ND1-OE1 2.85Å; H94-Q96 PolarHBondContact O-N 3.04Å; Q96-T120 WeakPolarHBondContact O-CA 3.14Å; Q96-W121 HydrophobicContact CB-CD2 4.26Å; Q96-W121 HydrophobicContact CB-CG 4.39Å; Q96-W121 HydrophobicContact CB-CZ2 4.45Å; Q96-W121 WeakPolarHBondContact CB-O 3.3Å; Q96-W121 PolarHBondContact O-N 2.91Å |
| 97 | S | 98 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 135.4 | 173.6 | -173.3 | 0 | 0 | 0 | 0 | 113 | V93 H94 Q118 R119 T120 | V93-S97 PolarHBondContact N-O 2.95Å; H94-S97 VanDerWaalsContact CD2-CB 3.47Å; H94-S97 WeakPolarHBondContact CD2-CB 3.4Å; H94-S97 VanDerWaalsContact CE1-CB 3.43Å; H94-S97 WeakPolarHBondContact CE1-CB 3.14Å; H94-S97 PolarHBondContact N-O 3.29Å; H94-S97 WeakPolarHBondContact NE2-CB 3.36Å; H94-S97 PolarHBondContact O-N 3.48Å; S97-Q118 WeakPolarHBondContact OG-CG 3.22Å; S97-Q118 PolarHBondContact OG-NE2 2.95Å; S97-R119 CarbonylContact C-O 3.55Å; S97-R119 WeakPolarHBondContact CA-O 3.49Å; S97-R119 WeakPolarHBondContact CB-O 3.36Å; S97-R119 PolarHBondContact OG-O 2.81Å; S97-T120 PolarHBondContact OG-OG1 2.75Å |
| 98 | D | 98 | Very high | 94.4 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 166.4 | 175.9 | 60.5 | 45.3 | 0 | 0 | 0 | 111.2 | C91 Q118 R119 W121 L229 | C91-D98 CarbonylContact O-C 3.53Å; C91-D98 VanDerWaalsContact O-CA 3.29Å; C91-D98 WeakPolarHBondContact O-CA 3.1Å; C91-D98 WeakPolarHBondContact O-CB 3.44Å; D98-Q118 CarbonylContact O-C 3.57Å; D98-Q118 VanDerWaalsContact O-CA 3.29Å; D98-Q118 WeakPolarHBondContact O-CA 3.42Å; D98-R119 PolarHBondContact N-O 3.34Å; D98-R119 PolarHBondContact O-N 2.8Å; D98-R119 WeakPolarHBondContact OD1-CB 3.33Å; D98-R119 IonicContact OD1-CZ 3.54Å; D98-R119 IonicContact OD1-NE 3.81Å; D98-R119 PolarHBondContact OD1-NE 2.98Å; D98-R119 IonicContact OD1-NH2 2.79Å; D98-R119 IonicContact OD2-CZ 2.81Å; D98-R119 IonicContact OD2-NE 2.69Å; D98-R119 PolarHBondContact OD2-NE 2.94Å; D98-R119 IonicContact OD2-NH2 2.75Å; D98-R119 PolarHBondContact OD2-NH2 2.9Å; D98-W121 WeakPolarHBondContact OD2-CZ3 3.37Å; D98-L229 HydrophobicContact CB-CD1 4.3Å |
| 99 | I | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.3 | 163.7 | -62.7 | 175.1 | 0 | 0 | 0 | 107.5 | I9 L90 C91 V93 V116 L117 Q118 V135 L232 L237 | I9-I99 HydrophobicContact CD1-CD1 3.75Å; I9-I99 HydrophobicContact CD1-CG1 4.42Å; L90-I99 WeakPolarHBondContact CA-O 3.46Å; L90-I99 WeakPolarHBondContact CB-O 3.14Å; L90-I99 PolarHBondContact N-O 3Å; C91-I99 PolarHBondContact N-O 2.95Å; C91-I99 PolarHBondContact O-N 2.95Å; V93-I99 HydrophobicContact CG2-CD1 4.15Å; V93-I99 HydrophobicContact CG2-CG1 3.78Å; I99-V116 HydrophobicContact CG2-CG1 3.96Å; I99-L117 CarbonylContact C-O 3.53Å; I99-L117 VanDerWaalsContact CA-O 3.31Å; I99-L117 WeakPolarHBondContact CA-O 3.38Å; I99-Q118 HydrophobicContact CG1-CB 4.35Å; I99-V135 HydrophobicContact CD1-CG2 4Å; I99-V135 HydrophobicContact CG1-CG2 4.14Å; I99-V135 HydrophobicContact CG2-CG2 3.88Å; I99-L232 HydrophobicContact CD1-CD1 3.92Å; I99-L232 HydrophobicContact CD1-CD2 4.37Å; I99-L237 HydrophobicContact CD1-CD2 4.14Å |
| 100 | G | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 160 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y88 V116 L117 | Y88-G100 CarbonylContact O-C 3.51Å; Y88-G100 VanDerWaalsContact O-CA 3.25Å; Y88-G100 WeakPolarHBondContact O-CA 3.35Å; G100-V116 WeakPolarHBondContact O-CA 3.13Å; G100-L117 PolarHBondContact N-O 2.82Å; G100-L117 PolarHBondContact O-N 3.04Å |
| 101 | Y | 98.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 141.2 | 171.5 | -179.5 | -108.9 | 0 | 0 | 0 | 110.9 | E86 S87 Y88 D114 F115 V116 I140 R143 | E86-Y101 HydrophobicContact CG-CD1 4.44Å; E86-Y101 HydrophobicContact CG-CE1 4.39Å; S87-Y101 WeakPolarHBondContact CA-O 3.29Å; Y88-Y101 HydrophobicContact CD1-CD1 4.02Å; Y88-Y101 HydrophobicContact CD1-CG 4.47Å; Y88-Y101 AromaticContact CE1-CD1 3.4Å; Y88-Y101 HydrophobicContact CE1-CD1 3.4Å; Y88-Y101 VanDerWaalsContact CE1-CD1 3.4Å; Y88-Y101 HydrophobicContact CE1-CE1 4.37Å; Y88-Y101 AromaticContact CE1-CG 3.76Å; Y88-Y101 HydrophobicContact CE1-CG 3.76Å; Y88-Y101 VanDerWaalsContact CZ-CB 3.44Å; Y88-Y101 AromaticContact CZ-CG 3.91Å; Y88-Y101 PolarHBondContact N-O 3.03Å; Y88-Y101 VanDerWaalsContact N-O 3.13Å; Y88-Y101 PolarHBondContact O-N 3.39Å; Y101-D114 HydrophobicContact CE2-CB 3.65Å; Y101-D114 WeakPolarHBondContact CE2-OD2 3.45Å; Y101-D114 WeakPolarHBondContact OH-CB 3.39Å; Y101-D114 PolarHBondContact OH-OD2 2.84Å; Y101-F115 WeakPolarHBondContact CA-O 3.25Å; Y101-F115 VanDerWaalsContact CD2-O 3.3Å; Y101-F115 WeakPolarHBondContact CD2-O 3.36Å; Y101-V116 HydrophobicContact CD2-CG2 4.25Å; Y101-I140 HydrophobicContact CD2-CG2 3.49Å; Y101-I140 VanDerWaalsContact CD2-CG2 3.49Å; Y101-I140 HydrophobicContact CE2-CG2 3.94Å; Y101-I140 HydrophobicContact CG-CG2 4.2Å; Y101-R143 VanDerWaalsContact CZ-CZ 3.47Å; Y101-R143 VanDerWaalsContact OH-CD 3.27Å; Y101-R143 WeakPolarHBondContact OH-CD 3.38Å; Y101-R143 PolarHBondContact OH-NE 3.1Å; Y101-R143 PolarHBondContact OH-NH1 2.84Å |
| 102 | Y | 97.5 | Very high | 92.2 | Very high | 31 Ų | 31 | 37.1 Ų | 37.1 | 12% | 0.122 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 130.1 | 176.4 | -53.8 | -94.3 | 0 | 0 | 0 | 109.8 | M84 D114 F115 L117 | M84-Y102 HydrophobicContact CE-CD1 3.97Å; M84-Y102 HydrophobicContact SD-CD1 4.37Å; Y102-D114 CarbonylContact O-C 3.54Å; Y102-D114 WeakPolarHBondContact O-CA 3.45Å; Y102-F115 PolarHBondContact N-O 2.91Å; Y102-F115 PolarHBondContact O-N 3.17Å; Y102-L117 HydrophobicContact CD2-CB 4.32Å; Y102-L117 HydrophobicContact CD2-CD1 3.82Å; Y102-L117 HydrophobicContact CD2-CG 4.06Å; Y102-L117 HydrophobicContact CE2-CB 4.04Å; Y102-L117 HydrophobicContact CE2-CD1 4.02Å; Y102-L117 HydrophobicContact CE2-CG 4.26Å |
| 103 | S | 95.7 | Very high | 92 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.6 | 175.1 | -177 | 0 | 0 | 0 | 0 | 109.7 | I85 E86 | I85-S103 WeakPolarHBondContact CB-O 3.25Å; I85-S103 PolarHBondContact N-O 3.15Å; E86-S103 PolarHBondContact N-O 3.48Å; E86-S103 PolarHBondContact O-N 2.87Å |
| 104 | L | 92.7 | Very high | 91.9 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.4 | -173.6 | -66.4 | 176.9 | 0 | 0 | 0 | 111.1 | M84 S106 N112 R113 F115 | M84-L104 HydrophobicContact CB-CD2 4.49Å; M84-L104 HydrophobicContact CE-CD2 3.72Å; M84-L104 HydrophobicContact SD-CD2 3.69Å; L104-S106 PolarHBondContact O-N 3.29Å; L104-N112 WeakPolarHBondContact O-CB 3.18Å; L104-R113 PolarHBondContact N-O 2.77Å; L104-R113 PolarHBondContact O-N 3.4Å; L104-R113 VanDerWaalsContact O-N 3.14Å; L104-F115 HydrophobicContact CB-CE2 4.45Å; L104-F115 HydrophobicContact CD1-CD2 4.39Å; L104-F115 HydrophobicContact CD1-CE2 3.73Å; L104-F115 HydrophobicContact CD1-CZ 4.38Å; L104-F115 HydrophobicContact CG-CE2 4.2Å |
| 105 | R | 90.8 | Very high | 92 | Very high | 153 Ų | 153 | 34.2 Ų | 34.2 | 58% | 0.577 | 19% | 0.192 | S | C | * | . | P | Polyproline II helix | trans | -64.5 | 124.9 | 171.3 | -173.5 | 176.1 | -59.9 | -79.3 | -2.9 | 109.7 | S83 I85 N112 | S83-R105 WeakPolarHBondContact O-CB 3.41Å; S83-R105 PolarHBondContact O-N 3.33Å; I85-R105 HydrophobicContact CD1-CB 4.01Å; I85-R105 HydrophobicContact CG1-CB 4.08Å; R105-N112 WeakPolarHBondContact CA-OD1 3.35Å |
| 106 | S | 85.8 | Confident | 92.2 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -90.9 | 163.4 | 174.4 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | L104 K111 N112 R113 | L104-S106 PolarHBondContact O-N 3.29Å; S106-K111 WeakPolarHBondContact CB-O 3.34Å; S106-K111 PolarHBondContact OG-O 3.16Å; S106-N112 PolarHBondContact N-OD1 3.3Å; S106-N112 VanDerWaalsContact N-OD1 3.1Å; S106-R113 WeakPolarHBondContact OG-CD 3.31Å; S106-R113 PolarHBondContact OG-N 3.36Å |
| 107 | P | 79.8 | Confident | 92.3 | Very high | 30 Ų | 30 | 29.4 Ų | 29.4 | 20% | 0.195 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -50.5 | 149.2 | 170.1 | -29.4 | 37 | 0 | 0 | 0 | 112.4 | G109 L110 I261 | P107-G109 PolarHBondContact O-N 2.88Å; P107-L110 HydrophobicContact CB-CD1 4.34Å; P107-L110 HydrophobicContact CG-CD1 4.41Å; P107-L110 WeakPolarHBondContact O-CB 3.43Å; P107-L110 PolarHBondContact O-N 2.8Å; P107-L110 VanDerWaalsContact O-N 3.11Å; P107-I261 HydrophobicContact CB-CG2 3.82Å; P107-I261 HydrophobicContact CG-CG2 4.03Å |
| 108 | P | 81 | Confident | 92.3 | Very high | 88 Ų | 88 | 29.3 Ų | 29.3 | 57% | 0.571 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 139.4 | 175.9 | -27.7 | 35.1 | 0 | 0 | 0 | 112.7 | L110 | P108-L110 VanDerWaalsContact C-N 3.29Å; P108-L110 PolarHBondContact O-N 2.86Å |
| 109 | G | 81 | Confident | 92.3 | Very high | 72 Ų | 72 | 30 Ų | 30 | 74% | 0.742 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -11.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | P107 | P107-G109 PolarHBondContact O-N 2.88Š|
| 110 | L | 83.4 | Confident | 92.3 | Very high | 19 Ų | 19 | 30 Ų | 30 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -105.6 | 144.4 | 174.6 | -60.4 | -179.7 | 0 | 0 | 0 | 110.8 | P107 P108 I252 | P107-L110 HydrophobicContact CB-CD1 4.34Å; P107-L110 HydrophobicContact CG-CD1 4.41Å; P107-L110 WeakPolarHBondContact O-CB 3.43Å; P107-L110 PolarHBondContact O-N 2.8Å; P107-L110 VanDerWaalsContact O-N 3.11Å; P108-L110 VanDerWaalsContact C-N 3.29Å; P108-L110 PolarHBondContact O-N 2.86Å; L110-I252 HydrophobicContact CD2-CD1 4.11Å; L110-I252 HydrophobicContact CD2-CG2 4.07Å |
| 111 | K | 87.9 | Confident | 92.3 | Very high | 66 Ų | 66 | 30.6 Ų | 30.6 | 29% | 0.287 | 17% | 0.168 | S | C | . | . | trans | -62.4 | 150.6 | 170.9 | -72.9 | -175 | 179 | 174.5 | 0 | 110.4 | S106 R113 I147 D247 D248 | S106-K111 WeakPolarHBondContact CB-O 3.34Å; S106-K111 PolarHBondContact OG-O 3.16Å; K111-R113 WeakPolarHBondContact O-CD 3.49Å; K111-R113 PolarHBondContact O-NH1 2.9Å; K111-I147 HydrophobicContact CB-CD1 4.15Å; K111-I147 HydrophobicContact CB-CG1 4.07Å; K111-I147 HydrophobicContact CD-CD1 4.35Å; K111-I147 HydrophobicContact CD-CG1 4.18Å; K111-D247 VanDerWaalsContact CE-O 3.3Å; K111-D247 WeakPolarHBondContact CE-O 3.23Å; K111-D247 PolarHBondContact NZ-O 3.14Å; K111-D248 PolarHBondContact N-OD1 2.83Å | ||
| 112 | N | 92 | Very high | 92.2 | Very high | 43 Ų | 43 | 32.9 Ų | 32.9 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 154.4 | 174 | -65.9 | -34.3 | 0 | 0 | 0 | 110.8 | I85 L104 R105 S106 C146 I147 | I85-N112 HydrophobicContact CD1-CB 4.11Å; I85-N112 VanDerWaalsContact CD1-ND2 3.28Å; I85-N112 WeakPolarHBondContact CD1-ND2 3.37Å; L104-N112 WeakPolarHBondContact O-CB 3.18Å; R105-N112 WeakPolarHBondContact CA-OD1 3.35Å; S106-N112 PolarHBondContact N-OD1 3.3Å; S106-N112 VanDerWaalsContact N-OD1 3.1Å; N112-C146 CarbonylContact O-C 3.58Å; N112-C146 VanDerWaalsContact O-CA 3.24Å; N112-C146 WeakPolarHBondContact O-CA 3.34Å; N112-I147 PolarHBondContact O-N 3.09Å |
| 113 | R | 92.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 2% | 0.023 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.5 | 176.7 | -89.7 | 66 | 180 | 165.3 | 3.6 | 109.1 | L104 S106 K111 F115 I147 A149 F176 R177 D248 | L104-R113 PolarHBondContact N-O 2.77Å; L104-R113 PolarHBondContact O-N 3.4Å; L104-R113 VanDerWaalsContact O-N 3.14Å; S106-R113 WeakPolarHBondContact OG-CD 3.31Å; S106-R113 PolarHBondContact OG-N 3.36Å; K111-R113 WeakPolarHBondContact O-CD 3.49Å; K111-R113 PolarHBondContact O-NH1 2.9Å; R113-F115 HydrophobicContact CB-CE2 3.92Å; R113-F115 HydrophobicContact CB-CZ 4.1Å; R113-I147 VanDerWaalsContact CA-O 3.31Å; R113-I147 WeakPolarHBondContact CA-O 3.28Å; R113-A149 HydrophobicContact CB-CB 4.37Å; R113-A149 HydrophobicContact CG-CB 4.11Å; R113-F176 PolarHBondContact NE-O 2.93Å; R113-R177 PolarHBondContact NH2-O 2.89Å; R113-D248 IonicContact CZ-OD1 2.83Å; R113-D248 IonicContact NH1-OD1 3.56Å; R113-D248 PolarHBondContact NH1-OD1 2.95Å; R113-D248 IonicContact NH2-OD1 2.63Å; R113-D248 PolarHBondContact NH2-OD1 3.43Å; R113-D248 VanDerWaalsContact NH2-OD1 3.07Å; R113-D248 IonicContact NH2-OD2 2.99Å; R113-D248 PolarHBondContact NH2-OD2 2.69Å |
| 114 | D | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 158.9 | 170.9 | 79.8 | -8.8 | 0 | 0 | 0 | 112.4 | Y101 Y102 C146 I147 R148 A149 | Y101-D114 HydrophobicContact CE2-CB 3.65Å; Y101-D114 WeakPolarHBondContact CE2-OD2 3.45Å; Y101-D114 WeakPolarHBondContact OH-CB 3.39Å; Y101-D114 PolarHBondContact OH-OD2 2.84Å; Y102-D114 CarbonylContact O-C 3.54Å; Y102-D114 WeakPolarHBondContact O-CA 3.45Å; D114-C146 HydrophobicContact CB-CB 3.87Å; D114-I147 PolarHBondContact N-O 3.46Å; D114-R148 WeakPolarHBondContact O-CA 3.35Å; D114-R148 WeakPolarHBondContact OD1-CA 3.27Å; D114-R148 WeakPolarHBondContact OD1-CD 3.43Å; D114-R148 IonicContact OD1-CZ 3.83Å; D114-R148 PolarHBondContact OD1-N 3.46Å; D114-R148 IonicContact OD1-NE 2.84Å; D114-R148 PolarHBondContact OD1-NE 2.73Å; D114-R148 IonicContact OD1-NH2 3.95Å; D114-R148 IonicContact OD2-NE 3.75Å; D114-R148 IonicContact OD2-NH2 3.57Å; D114-A149 PolarHBondContact O-N 3.45Å |
| 115 | F | 96.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143 | -171.5 | -53.2 | -100.3 | 0 | 0 | 0 | 109.5 | Y101 Y102 L104 R113 L117 A149 | Y101-F115 WeakPolarHBondContact CA-O 3.25Å; Y101-F115 VanDerWaalsContact CD2-O 3.3Å; Y101-F115 WeakPolarHBondContact CD2-O 3.36Å; Y102-F115 PolarHBondContact N-O 2.91Å; Y102-F115 PolarHBondContact O-N 3.17Å; L104-F115 HydrophobicContact CB-CE2 4.45Å; L104-F115 HydrophobicContact CD1-CD2 4.39Å; L104-F115 HydrophobicContact CD1-CE2 3.73Å; L104-F115 HydrophobicContact CD1-CZ 4.38Å; L104-F115 HydrophobicContact CG-CE2 4.2Å; R113-F115 HydrophobicContact CB-CE2 3.92Å; R113-F115 HydrophobicContact CB-CZ 4.1Å; F115-L117 HydrophobicContact CB-CD1 4.17Å; F115-L117 HydrophobicContact CB-CD2 4.01Å; F115-L117 HydrophobicContact CB-CG 3.85Å; F115-L117 HydrophobicContact CD1-CD2 4.49Å; F115-A149 HydrophobicContact CD1-CB 3.82Å; F115-A149 HydrophobicContact CE1-CB 3.27Å; F115-A149 HydrophobicContact CE2-CB 4.4Å; F115-A149 HydrophobicContact CZ-CB 3.6Å |
| 116 | V | 97.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 113.8 | 164.1 | 179.6 | 0 | 0 | 0 | 0 | 105.6 | I99 G100 Y101 S134 V135 H137 I140 | I99-V116 HydrophobicContact CG2-CG1 3.96Å; G100-V116 WeakPolarHBondContact O-CA 3.13Å; Y101-V116 HydrophobicContact CD2-CG2 4.25Å; V116-S134 WeakPolarHBondContact O-CA 3.26Å; V116-V135 HydrophobicContact CG1-CG2 4.03Å; V116-V135 PolarHBondContact O-N 2.77Å; V116-V135 VanDerWaalsContact O-N 3.14Å; V116-H137 HydrophobicContact CG1-CB 4.19Å; V116-I140 HydrophobicContact CG1-CD1 4.01Å; V116-I140 HydrophobicContact CG2-CB 3.82Å; V116-I140 HydrophobicContact CG2-CD1 4.09Å; V116-I140 HydrophobicContact CG2-CG2 3.63Å |
| 117 | L | 98.1 | Very high | 91.9 | Very high | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135 | -170.7 | -55.6 | 178.4 | 0 | 0 | 0 | 109.5 | I99 G100 Y102 F115 C132 H133 T151 | I99-L117 CarbonylContact C-O 3.53Å; I99-L117 VanDerWaalsContact CA-O 3.31Å; I99-L117 WeakPolarHBondContact CA-O 3.38Å; G100-L117 PolarHBondContact N-O 2.82Å; G100-L117 PolarHBondContact O-N 3.04Å; Y102-L117 HydrophobicContact CD2-CB 4.32Å; Y102-L117 HydrophobicContact CD2-CD1 3.82Å; Y102-L117 HydrophobicContact CD2-CG 4.06Å; Y102-L117 HydrophobicContact CE2-CB 4.04Å; Y102-L117 HydrophobicContact CE2-CD1 4.02Å; Y102-L117 HydrophobicContact CE2-CG 4.26Å; F115-L117 HydrophobicContact CB-CD1 4.17Å; F115-L117 HydrophobicContact CB-CD2 4.01Å; F115-L117 HydrophobicContact CB-CG 3.85Å; F115-L117 HydrophobicContact CD1-CD2 4.49Å; L117-C132 HydrophobicContact CB-CB 4.27Å; L117-C132 HydrophobicContact CD1-CB 4.09Å; L117-H133 WeakPolarHBondContact CA-O 3.08Å; L117-T151 HydrophobicContact CD2-CG2 4.33Å |
| 118 | Q | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 130.6 | 152.3 | 179.4 | -179 | 7.2 | 0 | 0 | 107 | I9 A10 V93 S97 D98 I99 C132 H133 V135 | I9-Q118 VanDerWaalsContact CA-OE1 3.32Å; A10-Q118 PolarHBondContact O-NE2 3.01Å; V93-Q118 HydrophobicContact CG2-CG 4.4Å; S97-Q118 WeakPolarHBondContact OG-CG 3.22Å; S97-Q118 PolarHBondContact OG-NE2 2.95Å; D98-Q118 CarbonylContact O-C 3.57Å; D98-Q118 VanDerWaalsContact O-CA 3.29Å; D98-Q118 WeakPolarHBondContact O-CA 3.42Å; I99-Q118 HydrophobicContact CG1-CB 4.35Å; Q118-C132 WeakPolarHBondContact O-CA 3.27Å; Q118-H133 PolarHBondContact N-O 3.3Å; Q118-H133 PolarHBondContact O-N 2.99Å; Q118-H133 VanDerWaalsContact O-N 3.11Å; Q118-H133 PolarHBondContact OE1-CE1 2.83Å; Q118-H133 PolarHBondContact OE1-NE2 3.11Å; Q118-V135 HydrophobicContact CB-CG1 3.73Å; Q118-V135 HydrophobicContact CB-CG2 4.42Å |
| 119 | R | 98.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 34.2 Ų | 34.2 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.6 | 168.8 | 175.5 | 178.1 | 62.1 | 177.9 | -4.2 | 107.8 | E89 S97 D98 W121 I130 A131 | E89-R119 IonicContact OE1-NH2 2.74Å; E89-R119 PolarHBondContact OE1-NH2 3.34Å; E89-R119 VanDerWaalsContact OE1-NH2 3.16Å; S97-R119 CarbonylContact C-O 3.55Å; S97-R119 WeakPolarHBondContact CA-O 3.49Å; S97-R119 WeakPolarHBondContact CB-O 3.36Å; S97-R119 PolarHBondContact OG-O 2.81Å; D98-R119 PolarHBondContact N-O 3.34Å; D98-R119 PolarHBondContact O-N 2.8Å; D98-R119 WeakPolarHBondContact OD1-CB 3.33Å; D98-R119 IonicContact OD1-CZ 3.54Å; D98-R119 IonicContact OD1-NE 3.81Å; D98-R119 PolarHBondContact OD1-NE 2.98Å; D98-R119 IonicContact OD1-NH2 2.79Å; D98-R119 IonicContact OD2-CZ 2.81Å; D98-R119 IonicContact OD2-NE 2.69Å; D98-R119 PolarHBondContact OD2-NE 2.94Å; D98-R119 IonicContact OD2-NH2 2.75Å; D98-R119 PolarHBondContact OD2-NH2 2.9Å; R119-W121 HydrophobicContact CG-CE3 4.07Å; R119-W121 HydrophobicContact CG-CZ3 4.34Å; R119-I130 HydrophobicContact CG-CG2 3.9Å; R119-A131 CarbonylContact C-O 3.52Å; R119-A131 WeakPolarHBondContact CA-O 3.24Å |
| 120 | T | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.1 | 175.1 | -49.7 | 0 | 0 | 0 | 0 | 108.7 | T13 F15 L16 Q96 S97 I130 A131 | T13-T120 HydrophobicContact CG2-CG2 3.85Å; F15-T120 HydrophobicContact CE1-CG2 3.75Å; F15-T120 HydrophobicContact CZ-CG2 4.21Å; L16-T120 HydrophobicContact CD1-CG2 4.19Å; L16-T120 HydrophobicContact CG-CG2 4.47Å; Q96-T120 WeakPolarHBondContact O-CA 3.14Å; S97-T120 PolarHBondContact OG-OG1 2.75Å; T120-I130 CarbonylContact O-C 3.47Å; T120-I130 WeakPolarHBondContact O-CA 3.47Å; T120-A131 PolarHBondContact N-O 3.13Å; T120-A131 PolarHBondContact O-N 3.11Å |
| 121 | W | 98.1 | Very high | 95.1 | Very high | 13 Ų | 13 | 30 Ų | 30 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 155.9 | -179.5 | 61.4 | 92.9 | 0 | 0 | 0 | 112 | F68 M72 Q96 D98 R119 V129 I130 W221 | F68-W121 HydrophobicContact CE2-CB 4.14Å; F68-W121 HydrophobicContact CZ-CB 4.24Å; F68-W121 AromaticContact CZ-CD1 3.79Å; F68-W121 HydrophobicContact CZ-CG 4.22Å; M72-W121 HydrophobicContact CE-CB 4.25Å; M72-W121 HydrophobicContact CE-CD2 3.28Å; M72-W121 HydrophobicContact CE-CE3 3.43Å; M72-W121 VanDerWaalsContact CE-CE3 3.43Å; M72-W121 HydrophobicContact CE-CG 3.67Å; M72-W121 HydrophobicContact CE-CH2 4.23Å; M72-W121 HydrophobicContact CE-CZ2 4.14Å; M72-W121 HydrophobicContact CE-CZ3 3.9Å; M72-W121 HydrophobicContact SD-CB 4.37Å; M72-W121 HydrophobicContact SD-CD2 4.47Å; M72-W121 HydrophobicContact SD-CG 4.38Å; Q96-W121 HydrophobicContact CB-CD2 4.26Å; Q96-W121 HydrophobicContact CB-CG 4.39Å; Q96-W121 HydrophobicContact CB-CZ2 4.45Å; Q96-W121 WeakPolarHBondContact CB-O 3.3Å; Q96-W121 PolarHBondContact O-N 2.91Å; D98-W121 WeakPolarHBondContact OD2-CZ3 3.37Å; R119-W121 HydrophobicContact CG-CE3 4.07Å; R119-W121 HydrophobicContact CG-CZ3 4.34Å; W121-V129 CarbonylContact C-O 3.53Å; W121-V129 WeakPolarHBondContact CA-O 3.47Å; W121-V129 WeakPolarHBondContact CB-O 3.19Å; W121-I130 HydrophobicContact CB-CG1 4.1Å; W121-W221 HydrophobicContact CZ2-CB 3.97Å; W121-W221 PolarHBondContact NE1-O 3.04Å |
| 122 | E | 96.5 | Very high | 95.6 | Very high | 48 Ų | 48 | 27.4 Ų | 27.4 | 22% | 0.224 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 153.3 | 174.1 | -170.1 | 59.1 | -86.2 | 0 | 0 | 110.4 | T13 L16 F124 V129 | T13-E122 HydrophobicContact CG2-CB 4.34Å; T13-E122 PolarHBondContact OG1-OE2 2.95Å; T13-E122 VanDerWaalsContact OG1-OE2 3.13Å; L16-E122 HydrophobicContact CD1-CB 3.46Å; L16-E122 VanDerWaalsContact CD1-CB 3.46Å; E122-F124 HydrophobicContact CB-CE1 4.49Å; E122-F124 HydrophobicContact CB-CE2 4Å; E122-F124 HydrophobicContact CB-CZ 3.88Å; E122-F124 HydrophobicContact CG-CD1 4.36Å; E122-F124 HydrophobicContact CG-CE1 3.82Å; E122-F124 HydrophobicContact CG-CE2 4.16Å; E122-F124 HydrophobicContact CG-CZ 3.7Å; E122-V129 PolarHBondContact N-O 3.13Å; E122-V129 PolarHBondContact O-N 3.35Å |
| 123 | R | 94.7 | Very high | 95.8 | Very high | 155 Ų | 155 | 25.3 Ų | 25.3 | 59% | 0.585 | 12% | 0.118 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 118.6 | 167.2 | -178.4 | -173.6 | 174.1 | 176.1 | -1.2 | 109.6 | Y127 Y128 | R123-Y127 CarbonylContact C-O 3.48Å; R123-Y127 WeakPolarHBondContact CA-O 3.48Å; R123-Y128 HydrophobicContact CB-CD1 4.13Å; R123-Y128 HydrophobicContact CB-CE1 4.25Å; R123-Y128 HydrophobicContact CG-CD1 3.99Å; R123-Y128 HydrophobicContact CG-CE1 3.79Å |
| 124 | F | 90.6 | Very high | 96 | Very high | 37 Ų | 37 | 25.1 Ų | 25.1 | 16% | 0.162 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 159.7 | 163.6 | -52.2 | -73.5 | 0 | 0 | 0 | 109 | L16 L17 E122 S126 Y127 V129 | L16-F124 HydrophobicContact CB-CE2 3.92Å; L16-F124 HydrophobicContact CB-CZ 3.98Å; L17-F124 HydrophobicContact CD2-CD1 3.79Å; L17-F124 HydrophobicContact CD2-CD2 4.37Å; L17-F124 HydrophobicContact CD2-CE1 3.52Å; L17-F124 HydrophobicContact CD2-CE2 4.14Å; L17-F124 HydrophobicContact CD2-CG 4.21Å; L17-F124 HydrophobicContact CD2-CZ 3.71Å; L17-F124 HydrophobicContact CG-CE1 3.9Å; L17-F124 HydrophobicContact CG-CZ 3.91Å; E122-F124 HydrophobicContact CB-CE1 4.49Å; E122-F124 HydrophobicContact CB-CE2 4Å; E122-F124 HydrophobicContact CB-CZ 3.88Å; E122-F124 HydrophobicContact CG-CD1 4.36Å; E122-F124 HydrophobicContact CG-CE1 3.82Å; E122-F124 HydrophobicContact CG-CE2 4.16Å; E122-F124 HydrophobicContact CG-CZ 3.7Å; F124-S126 PolarHBondContact O-N 3.21Å; F124-Y127 CarbonylContact C-O 3.45Å; F124-Y127 PolarHBondContact N-O 3.41Å; F124-Y127 CarbonylContact O-C 3.59Å; F124-Y127 PolarHBondContact O-N 2.98Å; F124-V129 HydrophobicContact CD2-CG2 3.76Å; F124-V129 HydrophobicContact CE2-CB 4.22Å; F124-V129 HydrophobicContact CE2-CG2 3.83Å |
| 125 | D | 85.6 | Confident | 96 | Very high | 129 Ų | 129 | 25.2 Ų | 25.2 | 69% | 0.69 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -25.2 | -67.6 | -171.9 | -72.4 | -20.8 | 0 | 0 | 0 | 115.5 | ||
| 126 | S | 88.6 | Confident | 96 | Very high | 41 Ų | 41 | 25.6 Ų | 25.6 | 29% | 0.287 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 7.7 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | F124 Q160 | F124-S126 PolarHBondContact O-N 3.21Å; S126-Q160 PolarHBondContact O-N 3.19Å |
| 127 | Y | 95.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 26.2 Ų | 26.2 | 10% | 0.098 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.8 | -174.5 | -66.5 | -90.7 | 0 | 0 | 0 | 113.1 | L24 R123 F124 I157 I158 R159 | L24-Y127 HydrophobicContact CD1-CD1 4.41Å; L24-Y127 HydrophobicContact CD1-CE1 3.62Å; R123-Y127 CarbonylContact C-O 3.48Å; R123-Y127 WeakPolarHBondContact CA-O 3.48Å; F124-Y127 CarbonylContact C-O 3.45Å; F124-Y127 PolarHBondContact N-O 3.41Å; F124-Y127 CarbonylContact O-C 3.59Å; F124-Y127 PolarHBondContact O-N 2.98Å; Y127-I157 HydrophobicContact CD1-CG2 3.83Å; Y127-I157 HydrophobicContact CE1-CG2 4.3Å; Y127-I158 CarbonylContact C-O 3.51Å; Y127-I158 VanDerWaalsContact CA-O 3.23Å; Y127-I158 WeakPolarHBondContact CA-O 3.42Å; Y127-R159 HydrophobicContact CD1-CB 3.92Å; Y127-R159 HydrophobicContact CD1-CG 4.2Å; Y127-R159 HydrophobicContact CE1-CB 3.59Å; Y127-R159 HydrophobicContact CE1-CG 3.61Å; Y127-R159 VanDerWaalsContact OH-CD 3.24Å; Y127-R159 WeakPolarHBondContact OH-CD 3.5Å |
| 128 | Y | 97.9 | Very high | 95.7 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 7% | 0.071 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.3 | 161.1 | -57 | -101.2 | 0 | 0 | 0 | 108.1 | F68 R123 I158 | F68-Y128 HydrophobicContact CB-CD1 3.89Å; F68-Y128 HydrophobicContact CB-CG 3.95Å; F68-Y128 AromaticContact CD1-CD1 3.79Å; F68-Y128 HydrophobicContact CD1-CD1 3.79Å; F68-Y128 HydrophobicContact CD1-CE1 4.28Å; F68-Y128 AromaticContact CD2-CD1 3.97Å; F68-Y128 HydrophobicContact CD2-CD1 3.97Å; F68-Y128 HydrophobicContact CD2-CG 4.15Å; F68-Y128 HydrophobicContact CE1-CD1 4.26Å; F68-Y128 HydrophobicContact CE2-CD1 4.43Å; F68-Y128 AromaticContact CG-CD1 3.61Å; F68-Y128 HydrophobicContact CG-CD1 3.61Å; F68-Y128 HydrophobicContact CG-CE1 4.42Å; F68-Y128 AromaticContact CG-CG 4Å; F68-Y128 HydrophobicContact CG-CG 4Å; R123-Y128 HydrophobicContact CB-CD1 4.13Å; R123-Y128 HydrophobicContact CB-CE1 4.25Å; R123-Y128 HydrophobicContact CG-CD1 3.99Å; R123-Y128 HydrophobicContact CG-CE1 3.79Å; Y128-I158 PolarHBondContact N-O 2.95Å; Y128-I158 PolarHBondContact O-N 2.99Å |
| 129 | V | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.3 | -178.1 | -170.6 | 0 | 0 | 0 | 0 | 109 | L16 V19 V20 W121 E122 F124 Y156 I157 | L16-V129 HydrophobicContact CB-CB 4.45Å; L16-V129 HydrophobicContact CB-CG1 4.13Å; L16-V129 HydrophobicContact CD1-CB 4.48Å; L16-V129 HydrophobicContact CD2-CG1 4.05Å; L16-V129 HydrophobicContact CG-CG1 4.49Å; V19-V129 HydrophobicContact CG1-CG1 4.45Å; V20-V129 HydrophobicContact CG2-CG1 4.39Å; V20-V129 HydrophobicContact CG2-CG2 3.56Å; W121-V129 CarbonylContact C-O 3.53Å; W121-V129 WeakPolarHBondContact CA-O 3.47Å; W121-V129 WeakPolarHBondContact CB-O 3.19Å; E122-V129 PolarHBondContact N-O 3.13Å; E122-V129 PolarHBondContact O-N 3.35Å; F124-V129 HydrophobicContact CD2-CG2 3.76Å; F124-V129 HydrophobicContact CE2-CB 4.22Å; F124-V129 HydrophobicContact CE2-CG2 3.83Å; V129-Y156 WeakPolarHBondContact CA-O 3.41Å; V129-I157 HydrophobicContact CG1-CG1 4.32Å; V129-I157 HydrophobicContact CG2-CG2 4.46Å |
| 130 | I | 98.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.2 | 170.5 | -54.4 | 162.5 | 0 | 0 | 0 | 105.9 | F68 I71 M72 R119 T120 W121 A155 Y156 | F68-I130 HydrophobicContact CD2-CD1 3.72Å; F68-I130 HydrophobicContact CD2-CG1 3.87Å; F68-I130 HydrophobicContact CE2-CD1 3.84Å; F68-I130 HydrophobicContact CE2-CG1 3.57Å; I71-I130 HydrophobicContact CB-CD1 3.99Å; I71-I130 HydrophobicContact CG2-CD1 3.55Å; M72-I130 HydrophobicContact CG-CD1 3.83Å; M72-I130 HydrophobicContact CG-CG1 4.45Å; M72-I130 HydrophobicContact SD-CD1 3.48Å; M72-I130 WeakPolarHBondContact SD-CD1 3.31Å; M72-I130 HydrophobicContact SD-CG1 3.73Å; M72-I130 HydrophobicContact SD-CG2 4.08Å; R119-I130 HydrophobicContact CG-CG2 3.9Å; T120-I130 CarbonylContact O-C 3.47Å; T120-I130 WeakPolarHBondContact O-CA 3.47Å; W121-I130 HydrophobicContact CB-CG1 4.1Å; I130-A155 CarbonylContact O-C 3.58Å; I130-A155 WeakPolarHBondContact O-CA 3.06Å; I130-Y156 HydrophobicContact CB-CD2 4.38Å; I130-Y156 PolarHBondContact N-O 3.26Å; I130-Y156 PolarHBondContact O-N 3.28Å |
| 131 | A | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F15 L16 V19 R119 T120 M153 N154 A155 | F15-A131 HydrophobicContact CE2-CB 3.79Å; F15-A131 HydrophobicContact CZ-CB 4.13Å; L16-A131 HydrophobicContact CD2-CB 3.37Å; V19-A131 HydrophobicContact CG2-CB 4.23Å; R119-A131 CarbonylContact C-O 3.52Å; R119-A131 WeakPolarHBondContact CA-O 3.24Å; T120-A131 PolarHBondContact N-O 3.13Å; T120-A131 PolarHBondContact O-N 3.11Å; A131-M153 HydrophobicContact CB-SD 4.07Å; A131-N154 CarbonylContact C-O 3.58Å; A131-N154 VanDerWaalsContact CA-O 3.3Å; A131-N154 WeakPolarHBondContact CA-O 3.29Å; A131-A155 HydrophobicContact CB-CB 4.37Å |
| 132 | C | 98 | Very high | 94.8 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140.5 | 176.5 | -47.2 | 0 | 0 | 0 | 0 | 110.9 | L117 Q118 T151 N154 | L117-C132 HydrophobicContact CB-CB 4.27Å; L117-C132 HydrophobicContact CD1-CB 4.09Å; Q118-C132 WeakPolarHBondContact O-CA 3.27Å; C132-T151 WeakPolarHBondContact O-CG2 3.48Å; C132-N154 HydrophobicContact CB-CB 4.22Å; C132-N154 PolarHBondContact N-O 2.79Å; C132-N154 PolarHBondContact O-N 3.25Å |
| 133 | H | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.1 | 170.7 | 62.3 | -81.7 | 0 | 0 | 0 | 110.3 | P4 R8 L117 Q118 | P4-H133 VanDerWaalsContact CG-CE1 3.49Å; P4-H133 WeakPolarHBondContact CG-CE1 3.21Å; P4-H133 WeakPolarHBondContact CG-ND1 3.17Å; R8-H133 PolarHBondContact O-CD2 2.99Å; R8-H133 PolarHBondContact O-NE2 3.08Å; L117-H133 WeakPolarHBondContact CA-O 3.08Å; Q118-H133 PolarHBondContact N-O 3.3Å; Q118-H133 PolarHBondContact O-N 2.99Å; Q118-H133 VanDerWaalsContact O-N 3.11Å; Q118-H133 PolarHBondContact OE1-CE1 2.83Å; Q118-H133 PolarHBondContact OE1-NE2 3.11Å |
| 134 | S | 96.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 137.2 | -177.8 | -79.7 | 0 | 0 | 0 | 0 | 112.2 | G7 V116 T151 | G7-S134 PolarHBondContact N-O 2.75Å; V116-S134 WeakPolarHBondContact O-CA 3.26Å; S134-T151 PolarHBondContact N-O 3.09Å; S134-T151 PolarHBondContact OG-N 2.9Å |
| 135 | V | 96.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -128.5 | 162.2 | 172.2 | -60.1 | 0 | 0 | 0 | 0 | 109.5 | I9 I99 V116 Q118 | I9-V135 HydrophobicContact CD1-CB 4.41Å; I9-V135 HydrophobicContact CD1-CG1 3.92Å; I99-V135 HydrophobicContact CD1-CG2 4Å; I99-V135 HydrophobicContact CG1-CG2 4.14Å; I99-V135 HydrophobicContact CG2-CG2 3.88Å; V116-V135 HydrophobicContact CG1-CG2 4.03Å; V116-V135 PolarHBondContact O-N 2.77Å; V116-V135 VanDerWaalsContact O-N 3.14Å; Q118-V135 HydrophobicContact CB-CG1 3.73Å; Q118-V135 HydrophobicContact CB-CG2 4.42Å |
| 136 | F | 95.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | trans | -113.2 | 114.8 | -178.3 | -46.5 | -42.9 | 0 | 0 | 0 | 109.3 | V6 G7 L150 L237 D238 A241 L243 | V6-F136 HydrophobicContact CG1-CE1 4.26Å; V6-F136 HydrophobicContact CG1-CZ 3.85Å; G7-F136 VanDerWaalsContact CA-CE2 3.47Å; F136-L150 HydrophobicContact CE1-CD2 3.81Å; F136-L150 HydrophobicContact CZ-CD2 4.36Å; F136-L237 WeakPolarHBondContact O-CA 3.1Å; F136-D238 HydrophobicContact CB-CB 3.85Å; F136-D238 PolarHBondContact O-N 3Å; F136-A241 HydrophobicContact CD1-CB 4.25Å; F136-A241 HydrophobicContact CD2-CB 4.19Å; F136-A241 HydrophobicContact CE1-CB 3.64Å; F136-A241 HydrophobicContact CE2-CB 3.55Å; F136-A241 HydrophobicContact CZ-CB 3.24Å; F136-L243 HydrophobicContact CE1-CD2 4.12Å | ||
| 137 | H | 95.5 | Very high | 94.5 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 6% | 0.06 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -127 | 124.7 | -174.1 | -162.8 | -68.7 | 0 | 0 | 0 | 110.4 | L90 V116 G139 I140 D236 | L90-H137 VanDerWaalsContact CD2-CE1 3.49Å; L90-H137 WeakPolarHBondContact CD2-CE1 3.34Å; L90-H137 WeakPolarHBondContact CD2-ND1 3.3Å; V116-H137 HydrophobicContact CG1-CB 4.19Å; H137-G139 PolarHBondContact ND1-N 2.93Å; H137-G139 VanDerWaalsContact ND1-N 3.15Å; H137-G139 PolarHBondContact O-N 3.35Å; H137-I140 PolarHBondContact O-N 2.74Å; H137-D236 WeakPolarHBondContact CA-O 3.29Å; H137-D236 WeakPolarHBondContact CE1-CB 3.14Å; H137-D236 IonicContact CE1-OD2 3.91Å |
| 138 | K | 94.4 | Very high | 94.4 | Very high | 108 Ų | 108 | 35.3 Ų | 35.3 | 47% | 0.47 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -34.2 | -176.6 | -68.4 | 173.3 | -169.9 | 167.9 | 0 | 112.8 | I140 D235 D236 D238 | K138-I140 PolarHBondContact O-N 3.15Å; K138-D235 WeakPolarHBondContact CE-O 3.27Å; K138-D235 PolarHBondContact NZ-O 3.4Å; K138-D236 WeakPolarHBondContact CB-O 3.14Å; K138-D236 WeakPolarHBondContact CG-O 3.27Å; K138-D236 PolarHBondContact N-O 2.93Å; K138-D238 WeakPolarHBondContact CE-OD1 3.46Å; K138-D238 WeakPolarHBondContact CG-OD2 3.49Å |
| 139 | G | 94.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 34.4 Ų | 34.4 | 51% | 0.505 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H137 | H137-G139 PolarHBondContact ND1-N 2.93Å; H137-G139 VanDerWaalsContact ND1-N 3.15Å; H137-G139 PolarHBondContact O-N 3.35Å |
| 140 | I | 94.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -128.4 | 73.5 | 178.8 | -51.2 | 163.8 | 0 | 0 | 0 | 110.2 | Y88 L90 Y101 V116 H137 K138 R148 | Y88-I140 HydrophobicContact CE2-CD1 4.43Å; L90-I140 HydrophobicContact CB-CD1 4.23Å; L90-I140 HydrophobicContact CD2-CD1 3.62Å; L90-I140 HydrophobicContact CD2-CG1 3.96Å; L90-I140 HydrophobicContact CG-CD1 4.38Å; Y101-I140 HydrophobicContact CD2-CG2 3.49Å; Y101-I140 VanDerWaalsContact CD2-CG2 3.49Å; Y101-I140 HydrophobicContact CE2-CG2 3.94Å; Y101-I140 HydrophobicContact CG-CG2 4.2Å; V116-I140 HydrophobicContact CG1-CD1 4.01Å; V116-I140 HydrophobicContact CG2-CB 3.82Å; V116-I140 HydrophobicContact CG2-CD1 4.09Å; V116-I140 HydrophobicContact CG2-CG2 3.63Å; H137-I140 PolarHBondContact O-N 2.74Å; K138-I140 PolarHBondContact O-N 3.15Å; I140-R148 PolarHBondContact O-NH1 2.87Å; I140-R148 PolarHBondContact O-NH2 2.91Å |
| 141 | P | 92.2 | Very high | 93.5 | Very high | 92 Ų | 92 | 35.6 Ų | 35.6 | 60% | 0.597 | 19% | 0.185 | S | C | * | . | P | Polyproline II helix | trans | -64.1 | 161.9 | 179 | 28.9 | -35.6 | 0 | 0 | 0 | 111.5 | R143 R148 | P141-R143 PolarHBondContact O-N 3.03Å; P141-R148 PolarHBondContact O-NH2 2.92Å; P141-R148 VanDerWaalsContact O-NH2 3.12Å |
| 142 | V | 91.8 | Very high | 93.2 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 22% | 0.218 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 132.9 | 177 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | R148 N242 | V142-R148 HydrophobicContact CG2-CB 4.37Å; V142-N242 WeakPolarHBondContact CG2-O 3.41Å |
| 143 | R | 91.5 | Very high | 92.9 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 21% | 0.208 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -98 | 129.3 | -179.6 | -55.3 | -168.1 | -176.3 | -177.8 | -4.9 | 110 | E86 Y101 P141 Q145 C146 | E86-R143 IonicContact OE1-CZ 3.63Å; E86-R143 IonicContact OE1-NH1 3.33Å; E86-R143 PolarHBondContact OE1-NH1 3.34Å; E86-R143 IonicContact OE1-NH2 2.95Å; E86-R143 PolarHBondContact OE1-NH2 2.99Å; E86-R143 IonicContact OE2-CZ 3.66Å; E86-R143 IonicContact OE2-NH1 2.66Å; E86-R143 PolarHBondContact OE2-NH1 3.01Å; E86-R143 IonicContact OE2-NH2 3.75Å; Y101-R143 VanDerWaalsContact CZ-CZ 3.47Å; Y101-R143 VanDerWaalsContact OH-CD 3.27Å; Y101-R143 WeakPolarHBondContact OH-CD 3.38Å; Y101-R143 PolarHBondContact OH-NE 3.1Å; Y101-R143 PolarHBondContact OH-NH1 2.84Å; P141-R143 PolarHBondContact O-N 3.03Å; R143-Q145 PolarHBondContact O-N 3.14Å; R143-Q145 VanDerWaalsContact O-N 3.13Å; R143-C146 PolarHBondContact O-N 3.34Å |
| 144 | K | 87.3 | Confident | 92.9 | Very high | 195 Ų | 195 | 39.5 Ų | 39.5 | 85% | 0.848 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.6 | -172.1 | -67.7 | -177 | 179.8 | 179 | 0 | 114.4 | C146 | K144-C146 VanDerWaalsContact C-N 3.35Š|
| 145 | Q | 88.7 | Confident | 92.9 | Very high | 114 Ų | 114 | 39.4 Ų | 39.4 | 53% | 0.533 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.3 | -179.4 | 73.2 | -79.6 | 15.2 | 0 | 0 | 113.9 | R143 | R143-Q145 PolarHBondContact O-N 3.14Å; R143-Q145 VanDerWaalsContact O-N 3.13Å |
| 146 | C | 91.2 | Very high | 93 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 157.2 | 179.8 | -62.7 | 0 | 0 | 0 | 0 | 110.7 | N112 D114 R143 K144 | N112-C146 CarbonylContact O-C 3.58Å; N112-C146 VanDerWaalsContact O-CA 3.24Å; N112-C146 WeakPolarHBondContact O-CA 3.34Å; D114-C146 HydrophobicContact CB-CB 3.87Å; R143-C146 PolarHBondContact O-N 3.34Å; K144-C146 VanDerWaalsContact C-N 3.35Å |
| 147 | I | 91 | Very high | 93.2 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.6 | 161.9 | -65.2 | -179.9 | 0 | 0 | 0 | 107.3 | K111 N112 R113 D114 A149 R177 D248 | K111-I147 HydrophobicContact CB-CD1 4.15Å; K111-I147 HydrophobicContact CB-CG1 4.07Å; K111-I147 HydrophobicContact CD-CD1 4.35Å; K111-I147 HydrophobicContact CD-CG1 4.18Å; N112-I147 PolarHBondContact O-N 3.09Å; R113-I147 VanDerWaalsContact CA-O 3.31Å; R113-I147 WeakPolarHBondContact CA-O 3.28Å; D114-I147 PolarHBondContact N-O 3.46Å; I147-A149 PolarHBondContact O-N 3.3Å; I147-R177 HydrophobicContact CG2-CB 3.7Å; I147-D248 HydrophobicContact CD1-CB 4.47Å; I147-D248 WeakPolarHBondContact CD1-OD1 3.43Å |
| 148 | R | 93.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 5% | 0.045 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 112.4 | 173.3 | -178.4 | 64.4 | 55.1 | 83 | -1.2 | 109 | D114 I140 P141 V142 R177 L243 | D114-R148 WeakPolarHBondContact O-CA 3.35Å; D114-R148 WeakPolarHBondContact OD1-CA 3.27Å; D114-R148 WeakPolarHBondContact OD1-CD 3.43Å; D114-R148 IonicContact OD1-CZ 3.83Å; D114-R148 PolarHBondContact OD1-N 3.46Å; D114-R148 IonicContact OD1-NE 2.84Å; D114-R148 PolarHBondContact OD1-NE 2.73Å; D114-R148 IonicContact OD1-NH2 3.95Å; D114-R148 IonicContact OD2-NE 3.75Å; D114-R148 IonicContact OD2-NH2 3.57Å; I140-R148 PolarHBondContact O-NH1 2.87Å; I140-R148 PolarHBondContact O-NH2 2.91Å; P141-R148 PolarHBondContact O-NH2 2.92Å; P141-R148 VanDerWaalsContact O-NH2 3.12Å; V142-R148 HydrophobicContact CG2-CB 4.37Å; R148-R177 WeakPolarHBondContact O-CD 3.28Å; R148-R177 PolarHBondContact O-NE 2.94Å; R148-R177 VanDerWaalsContact O-NE 3.1Å; R148-L243 HydrophobicContact CB-CD2 4.39Å; R148-L243 HydrophobicContact CG-CD2 3.58Å |
| 149 | A | 91.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -89.9 | 159.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R113 D114 F115 I147 D175 | R113-A149 HydrophobicContact CB-CB 4.37Å; R113-A149 HydrophobicContact CG-CB 4.11Å; D114-A149 PolarHBondContact O-N 3.45Å; F115-A149 HydrophobicContact CD1-CB 3.82Å; F115-A149 HydrophobicContact CE1-CB 3.27Å; F115-A149 HydrophobicContact CE2-CB 4.4Å; F115-A149 HydrophobicContact CZ-CB 3.6Å; I147-A149 PolarHBondContact O-N 3.3Å; A149-D175 WeakPolarHBondContact CA-O 3.31Å | ||
| 150 | L | 91.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.1 | 178.5 | -69.5 | -179.6 | 0 | 0 | 0 | 110.6 | V6 F136 C174 D175 L243 | V6-L150 HydrophobicContact CG1-CD2 3.98Å; F136-L150 HydrophobicContact CE1-CD2 3.81Å; F136-L150 HydrophobicContact CZ-CD2 4.36Å; L150-C174 CarbonylContact O-C 3.55Å; L150-C174 VanDerWaalsContact O-CA 3.29Å; L150-C174 WeakPolarHBondContact O-CA 3.47Å; L150-C174 PolarHBondContact O-SG 3.48Å; L150-D175 HydrophobicContact CB-CB 4.29Å; L150-D175 PolarHBondContact N-O 2.84Å; L150-D175 PolarHBondContact O-N 3.16Å; L150-L243 HydrophobicContact CD1-CD1 3.58Å; L150-L243 HydrophobicContact CD2-CD1 3.86Å; L150-L243 HydrophobicContact CD2-CD2 3.56Å; L150-L243 HydrophobicContact CD2-CG 4.37Å; L150-L243 HydrophobicContact CG-CD1 3.79Å; L150-L243 HydrophobicContact CG-CD2 4.24Å |
| 151 | T | 93 | Very high | 93.6 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 110.9 | 170.7 | -62.2 | 0 | 0 | 0 | 0 | 108.4 | L117 C132 S134 N154 | L117-T151 HydrophobicContact CD2-CG2 4.33Å; C132-T151 WeakPolarHBondContact O-CG2 3.48Å; S134-T151 PolarHBondContact N-O 3.09Å; S134-T151 PolarHBondContact OG-N 2.9Å; T151-N154 HydrophobicContact CG2-CB 3.57Å |
| 152 | H | 91.7 | Very high | 93.6 | Very high | 67 Ų | 67 | 38.5 Ų | 38.5 | 31% | 0.31 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | -44 | 170.2 | -71.1 | -89.6 | 0 | 0 | 0 | 110.7 | V6 I50 S173 | V6-H152 HydrophobicContact CG2-CB 4.29Å; V6-H152 WeakPolarHBondContact CG2-ND1 3.49Å; I50-H152 WeakPolarHBondContact CD1-NE2 3.47Å; H152-S173 WeakPolarHBondContact CB-O 3.43Å; H152-S173 PolarHBondContact N-O 2.79Å |
| 153 | M | 93.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 135.6 | 171.4 | -175.2 | 54.4 | 55.7 | 0 | 0 | 109.1 | L3 P4 V19 Y23 A131 T172 S173 | L3-M153 HydrophobicContact CB-CE 4.49Å; L3-M153 HydrophobicContact CD1-CE 4.49Å; L3-M153 HydrophobicContact CD2-CE 4.22Å; P4-M153 HydrophobicContact CG-CE 4.33Å; V19-M153 HydrophobicContact CG2-CE 4.33Å; V19-M153 HydrophobicContact CG2-SD 4.17Å; Y23-M153 HydrophobicContact CE2-CG 3.81Å; A131-M153 HydrophobicContact CB-SD 4.07Å; M153-T172 CarbonylContact O-C 3.42Å; M153-T172 WeakPolarHBondContact O-CA 3.35Å; M153-S173 PolarHBondContact N-O 2.99Å; M153-S173 VanDerWaalsContact N-O 3.17Å; M153-S173 PolarHBondContact O-N 2.79Å |
| 154 | N | 95.3 | Very high | 93.7 | Very high | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 128.9 | 165.4 | -173.7 | -80.6 | 0 | 0 | 0 | 106.8 | A131 C132 T151 Y170 V171 | A131-N154 CarbonylContact C-O 3.58Å; A131-N154 VanDerWaalsContact CA-O 3.3Å; A131-N154 WeakPolarHBondContact CA-O 3.29Å; C132-N154 HydrophobicContact CB-CB 4.22Å; C132-N154 PolarHBondContact N-O 2.79Å; C132-N154 PolarHBondContact O-N 3.25Å; T151-N154 HydrophobicContact CG2-CB 3.57Å; N154-Y170 WeakPolarHBondContact ND2-CE2 3.15Å; N154-Y170 PolarHBondContact ND2-OH 2.92Å; N154-Y170 WeakPolarHBondContact OD1-CE2 3.36Å; N154-V171 CarbonylContact C-O 3.58Å; N154-V171 VanDerWaalsContact CA-O 3.27Å; N154-V171 WeakPolarHBondContact CA-O 3.12Å |
| 155 | A | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 144.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V19 I130 A131 Y170 V171 | V19-A155 HydrophobicContact CG1-CB 3.64Å; I130-A155 CarbonylContact O-C 3.58Å; I130-A155 WeakPolarHBondContact O-CA 3.06Å; A131-A155 HydrophobicContact CB-CB 4.37Å; A155-Y170 CarbonylContact O-C 3.52Å; A155-Y170 VanDerWaalsContact O-CA 3.3Å; A155-Y170 WeakPolarHBondContact O-CA 3.42Å; A155-Y170 WeakPolarHBondContact O-CD2 3.34Å; A155-V171 HydrophobicContact CB-CB 4.39Å; A155-V171 PolarHBondContact N-O 3.07Å; A155-V171 PolarHBondContact O-N 3.24Å |
| 156 | Y | 98.5 | Very high | 94.6 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 15% | 0.153 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.3 | 164.3 | -60.6 | -93.1 | 0 | 0 | 0 | 107.5 | I71 V129 I130 M168 Y170 L200 | I71-Y156 HydrophobicContact CD1-CD1 3.6Å; I71-Y156 HydrophobicContact CD1-CE1 4.05Å; I71-Y156 HydrophobicContact CD1-CG 3.93Å; I71-Y156 HydrophobicContact CG2-CD2 4.04Å; I71-Y156 HydrophobicContact CG2-CE2 4.03Å; I71-Y156 HydrophobicContact CG2-CG 4.36Å; V129-Y156 WeakPolarHBondContact CA-O 3.41Å; I130-Y156 HydrophobicContact CB-CD2 4.38Å; I130-Y156 PolarHBondContact N-O 3.26Å; I130-Y156 PolarHBondContact O-N 3.28Å; Y156-M168 HydrophobicContact CD1-CG 4.45Å; Y156-M168 HydrophobicContact CD1-SD 3.78Å; Y156-M168 HydrophobicContact CE1-SD 4.22Å; Y156-Y170 AromaticContact CD1-CD2 3.73Å; Y156-Y170 HydrophobicContact CD1-CD2 3.73Å; Y156-Y170 HydrophobicContact CD1-CE2 4.47Å; Y156-Y170 HydrophobicContact CD2-CD2 4.36Å; Y156-Y170 AromaticContact CE1-CD2 3.41Å; Y156-Y170 HydrophobicContact CE1-CD2 3.41Å; Y156-Y170 VanDerWaalsContact CE1-CD2 3.41Å; Y156-Y170 AromaticContact CE1-CE2 3.84Å; Y156-Y170 HydrophobicContact CE1-CE2 3.84Å; Y156-Y170 HydrophobicContact CE1-CG 4.28Å; Y156-Y170 HydrophobicContact CE2-CD2 4.08Å; Y156-Y170 AromaticContact CE2-CE2 3.91Å; Y156-Y170 HydrophobicContact CE2-CE2 3.91Å; Y156-Y170 HydrophobicContact CG-CD2 4.2Å; Y156-Y170 AromaticContact CZ-CD2 3.6Å; Y156-Y170 AromaticContact CZ-CE2 3.52Å; Y156-L200 HydrophobicContact CE1-CD2 4.47Å |
| 157 | I | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 108.5 | 173.4 | -54.6 | 160.8 | 0 | 0 | 0 | 106.5 | V19 V20 L24 Y127 V129 T169 | V19-I157 HydrophobicContact CG1-CD1 4.23Å; V19-I157 HydrophobicContact CG1-CG1 4.42Å; V20-I157 HydrophobicContact CG2-CG2 4.21Å; L24-I157 HydrophobicContact CD1-CG2 3.91Å; L24-I157 HydrophobicContact CD2-CD1 4.07Å; L24-I157 HydrophobicContact CD2-CG2 4.25Å; L24-I157 HydrophobicContact CG-CD1 4.2Å; L24-I157 HydrophobicContact CG-CG2 4.25Å; Y127-I157 HydrophobicContact CD1-CG2 3.83Å; Y127-I157 HydrophobicContact CE1-CG2 4.3Å; V129-I157 HydrophobicContact CG1-CG1 4.32Å; V129-I157 HydrophobicContact CG2-CG2 4.46Å; I157-T169 PolarHBondContact N-O 2.77Å; I157-T169 PolarHBondContact O-N 2.86Å |
| 158 | I | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 113.6 | -172.7 | -56.9 | 160.8 | 0 | 0 | 0 | 107.8 | L67 F68 I71 Y127 Y128 C166 E167 M168 | L67-I158 HydrophobicContact CB-CD1 4.41Å; L67-I158 HydrophobicContact CB-CG2 4.48Å; L67-I158 HydrophobicContact CD2-CD1 4.13Å; L67-I158 HydrophobicContact CD2-CG1 3.89Å; L67-I158 HydrophobicContact CD2-CG2 3.9Å; L67-I158 HydrophobicContact CG-CD1 3.85Å; L67-I158 HydrophobicContact CG-CG1 4.19Å; L67-I158 HydrophobicContact CG-CG2 4.45Å; F68-I158 HydrophobicContact CB-CD1 3.99Å; F68-I158 HydrophobicContact CD2-CD1 4.44Å; I71-I158 HydrophobicContact CD1-CD1 4.07Å; Y127-I158 CarbonylContact C-O 3.51Å; Y127-I158 VanDerWaalsContact CA-O 3.23Å; Y127-I158 WeakPolarHBondContact CA-O 3.42Å; Y128-I158 PolarHBondContact N-O 2.95Å; Y128-I158 PolarHBondContact O-N 2.99Å; I158-C166 HydrophobicContact CG2-CB 4.05Å; I158-E167 CarbonylContact C-O 3.35Å; I158-E167 WeakPolarHBondContact CA-O 3.49Å; I158-M168 HydrophobicContact CG1-CG 4.45Å |
| 159 | R | 97.7 | Very high | 95.4 | Very high | 83 Ų | 83 | 34 Ų | 34 | 31% | 0.313 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121 | 176.4 | -171.5 | 170.7 | 65.4 | 98.1 | -5.3 | 109.8 | Y127 L161 C166 E167 | Y127-R159 HydrophobicContact CD1-CB 3.92Å; Y127-R159 HydrophobicContact CD1-CG 4.2Å; Y127-R159 HydrophobicContact CE1-CB 3.59Å; Y127-R159 HydrophobicContact CE1-CG 3.61Å; Y127-R159 VanDerWaalsContact OH-CD 3.24Å; Y127-R159 WeakPolarHBondContact OH-CD 3.5Å; R159-L161 HydrophobicContact CG-CD2 4.17Å; R159-L161 VanDerWaalsContact NH2-CD2 3.27Å; R159-C166 CarbonylContact O-C 3.51Å; R159-C166 VanDerWaalsContact O-CA 3.23Å; R159-C166 WeakPolarHBondContact O-CA 3.39Å; R159-C166 VanDerWaalsContact O-CB 3.3Å; R159-C166 WeakPolarHBondContact O-CB 3.34Å; R159-E167 HydrophobicContact CB-CB 4.45Å; R159-E167 IonicContact CZ-OE2 2.85Å; R159-E167 PolarHBondContact N-O 2.98Å; R159-E167 IonicContact NE-OE2 2.78Å; R159-E167 PolarHBondContact NE-OE2 2.78Å; R159-E167 IonicContact NH2-OE1 3.97Å; R159-E167 IonicContact NH2-OE2 3.36Å; R159-E167 PolarHBondContact NH2-OE2 3.4Å; R159-E167 PolarHBondContact O-N 3.18Å |
| 160 | Q | 96.8 | Very high | 95.7 | Very high | 49 Ų | 49 | 37 Ų | 37 | 23% | 0.229 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.4 | 171.1 | -166.7 | 77.3 | 49.2 | 0 | 0 | 109.5 | G64 S126 G162 S165 | G64-Q160 VanDerWaalsContact N-CD 3.33Å; G64-Q160 VanDerWaalsContact N-NE2 3.14Å; S126-Q160 PolarHBondContact O-N 3.19Å; Q160-G162 PolarHBondContact NE2-O 3.39Å; Q160-S165 PolarHBondContact NE2-O 3.05Å |
| 161 | L | 95.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 36 Ų | 36 | 34% | 0.34 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -31.4 | 179.1 | -56 | -174.5 | 0 | 0 | 0 | 113.3 | L58 R159 S165 E167 | L58-L161 HydrophobicContact CD1-CD1 3.34Å; R159-L161 HydrophobicContact CG-CD2 4.17Å; R159-L161 VanDerWaalsContact NH2-CD2 3.27Å; L161-S165 PolarHBondContact N-O 3.13Å; L161-E167 HydrophobicContact CD1-CB 4.11Å; L161-E167 HydrophobicContact CD2-CB 4.28Å; L161-E167 HydrophobicContact CG-CB 4.35Å |
| 162 | G | 91.5 | Very high | 95.7 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 32% | 0.32 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | -169 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q160 N164 S165 | Q160-G162 PolarHBondContact NE2-O 3.39Å; G162-N164 VanDerWaalsContact C-N 3.28Å; G162-N164 PolarHBondContact O-N 2.97Å; G162-S165 PolarHBondContact N-O 3.13Å; G162-S165 PolarHBondContact N-OG 3.22Å |
| 163 | T | 90.8 | Very high | 95.6 | Very high | 139 Ų | 139 | 34.5 Ų | 34.5 | 85% | 0.853 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -32.3 | -179.1 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | S63 | S63-T163 WeakPolarHBondContact CB-O 3.15Š|
| 164 | N | 93.9 | Very high | 95.4 | Very high | 87 Ų | 87 | 35 Ų | 35 | 47% | 0.465 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 32.3 | -175.2 | -159 | 23.5 | 0 | 0 | 0 | 113.2 | G61 V62 G162 | G61-N164 CarbonylContact C-O 3.47Å; G61-N164 WeakPolarHBondContact CA-ND2 3.48Å; G61-N164 WeakPolarHBondContact CA-O 3.37Å; G61-N164 PolarHBondContact N-O 3.18Å; G61-N164 PolarHBondContact O-OD1 3.3Å; G61-N164 VanDerWaalsContact O-OD1 3.08Å; V62-N164 PolarHBondContact N-O 2.97Å; V62-N164 VanDerWaalsContact N-O 3.14Å; V62-N164 PolarHBondContact N-OD1 3.09Å; G162-N164 VanDerWaalsContact C-N 3.28Å; G162-N164 PolarHBondContact O-N 2.97Å |
| 165 | S | 97.2 | Very high | 95 | Very high | 33 Ų | 33 | 36.3 Ų | 36.3 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 142.6 | 176.3 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | F59 V62 Q160 L161 G162 | F59-S165 WeakPolarHBondContact O-CA 3.24Å; V62-S165 CarbonylContact O-C 3.52Å; V62-S165 VanDerWaalsContact O-CA 3.29Å; V62-S165 WeakPolarHBondContact O-CA 3.43Å; Q160-S165 PolarHBondContact NE2-O 3.05Å; L161-S165 PolarHBondContact N-O 3.13Å; G162-S165 PolarHBondContact N-O 3.13Å; G162-S165 PolarHBondContact N-OG 3.22Å |
| 166 | C | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159.6 | 174.1 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | F59 V62 I158 R159 | F59-C166 PolarHBondContact N-O 3.31Å; F59-C166 PolarHBondContact O-N 3.36Å; V62-C166 PolarHBondContact O-N 2.59Å; V62-C166 PolarHBondContact O-SG 3.12Å; I158-C166 HydrophobicContact CG2-CB 4.05Å; R159-C166 CarbonylContact O-C 3.51Å; R159-C166 VanDerWaalsContact O-CA 3.23Å; R159-C166 WeakPolarHBondContact O-CA 3.39Å; R159-C166 VanDerWaalsContact O-CB 3.3Å; R159-C166 WeakPolarHBondContact O-CB 3.34Å |
| 167 | E | 98.1 | Very high | 93.6 | Very high | 57 Ų | 57 | 41 Ų | 41 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.7 | 169.7 | 176.8 | 178.1 | -116.4 | 0 | 0 | 109 | A57 I158 R159 L161 | A57-E167 WeakPolarHBondContact O-CA 3.23Å; I158-E167 CarbonylContact C-O 3.35Å; I158-E167 WeakPolarHBondContact CA-O 3.49Å; R159-E167 HydrophobicContact CB-CB 4.45Å; R159-E167 IonicContact CZ-OE2 2.85Å; R159-E167 PolarHBondContact N-O 2.98Å; R159-E167 IonicContact NE-OE2 2.78Å; R159-E167 PolarHBondContact NE-OE2 2.78Å; R159-E167 IonicContact NH2-OE1 3.97Å; R159-E167 IonicContact NH2-OE2 3.36Å; R159-E167 PolarHBondContact NH2-OE2 3.4Å; R159-E167 PolarHBondContact O-N 3.18Å; L161-E167 HydrophobicContact CD1-CB 4.11Å; L161-E167 HydrophobicContact CD2-CB 4.28Å; L161-E167 HydrophobicContact CG-CB 4.35Å |
| 168 | M | 98.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.9 | 173.8 | -170.5 | -175.1 | 68.1 | 0 | 0 | 109.5 | T56 A57 F59 L67 Y156 I158 I197 L200 | T56-M168 CarbonylContact C-O 3.5Å; T56-M168 WeakPolarHBondContact CA-O 3.2Å; A57-M168 PolarHBondContact N-O 3.47Å; A57-M168 PolarHBondContact O-N 2.75Å; F59-M168 HydrophobicContact CD2-CB 4.16Å; F59-M168 HydrophobicContact CE2-CB 3.8Å; F59-M168 HydrophobicContact CE2-CE 3.97Å; F59-M168 HydrophobicContact CE2-SD 4.22Å; F59-M168 HydrophobicContact CZ-CE 4.07Å; F59-M168 HydrophobicContact CZ-SD 4.14Å; L67-M168 HydrophobicContact CD1-SD 4.42Å; L67-M168 HydrophobicContact CD2-CB 3.77Å; L67-M168 HydrophobicContact CD2-CG 4.01Å; L67-M168 HydrophobicContact CD2-SD 4.15Å; Y156-M168 HydrophobicContact CD1-CG 4.45Å; Y156-M168 HydrophobicContact CD1-SD 3.78Å; Y156-M168 HydrophobicContact CE1-SD 4.22Å; I158-M168 HydrophobicContact CG1-CG 4.45Å; M168-I197 HydrophobicContact CE-CG1 4.04Å; M168-L200 HydrophobicContact CE-CD2 4.09Å; M168-L200 HydrophobicContact SD-CD2 3.63Å |
| 169 | T | 96.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 111.6 | 161 | -57.4 | 0 | 0 | 0 | 0 | 108.6 | L24 K54 A55 T56 I157 V171 | L24-T169 HydrophobicContact CD2-CG2 3.99Å; K54-T169 HydrophobicContact CD-CG2 3.73Å; K54-T169 HydrophobicContact CG-CG2 3.68Å; A55-T169 CarbonylContact O-C 3.52Å; A55-T169 WeakPolarHBondContact O-CA 3.42Å; T56-T169 HydrophobicContact CG2-CG2 4.07Å; I157-T169 PolarHBondContact N-O 2.77Å; I157-T169 PolarHBondContact O-N 2.86Å; T169-V171 HydrophobicContact CG2-CG2 4.17Å |
| 170 | Y | 96.5 | Very high | 89.6 | Confident | 63 Ų | 63 | 48.6 Ų | 48.6 | 25% | 0.247 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.6 | 171.4 | 176.4 | -111 | 0 | 0 | 0 | 110.4 | K54 A55 N154 A155 Y156 T172 | K54-Y170 CarbonylContact C-O 3.48Å; K54-Y170 VanDerWaalsContact CA-O 3.29Å; K54-Y170 WeakPolarHBondContact CA-O 3.36Å; A55-Y170 PolarHBondContact N-O 3.38Å; A55-Y170 PolarHBondContact O-N 2.82Å; N154-Y170 WeakPolarHBondContact ND2-CE2 3.15Å; N154-Y170 PolarHBondContact ND2-OH 2.92Å; N154-Y170 WeakPolarHBondContact OD1-CE2 3.36Å; A155-Y170 CarbonylContact O-C 3.52Å; A155-Y170 VanDerWaalsContact O-CA 3.3Å; A155-Y170 WeakPolarHBondContact O-CA 3.42Å; A155-Y170 WeakPolarHBondContact O-CD2 3.34Å; Y156-Y170 AromaticContact CD1-CD2 3.73Å; Y156-Y170 HydrophobicContact CD1-CD2 3.73Å; Y156-Y170 HydrophobicContact CD1-CE2 4.47Å; Y156-Y170 HydrophobicContact CD2-CD2 4.36Å; Y156-Y170 AromaticContact CE1-CD2 3.41Å; Y156-Y170 HydrophobicContact CE1-CD2 3.41Å; Y156-Y170 VanDerWaalsContact CE1-CD2 3.41Å; Y156-Y170 AromaticContact CE1-CE2 3.84Å; Y156-Y170 HydrophobicContact CE1-CE2 3.84Å; Y156-Y170 HydrophobicContact CE1-CG 4.28Å; Y156-Y170 HydrophobicContact CE2-CD2 4.08Å; Y156-Y170 AromaticContact CE2-CE2 3.91Å; Y156-Y170 HydrophobicContact CE2-CE2 3.91Å; Y156-Y170 HydrophobicContact CG-CD2 4.2Å; Y156-Y170 AromaticContact CZ-CD2 3.6Å; Y156-Y170 AromaticContact CZ-CE2 3.52Å; Y170-T172 HydrophobicContact CE1-CG2 3.86Å |
| 171 | V | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.7 | 179 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | Y23 F53 K54 N154 A155 T169 | Y23-V171 HydrophobicContact CD1-CB 4.34Å; Y23-V171 HydrophobicContact CD1-CG1 3.49Å; Y23-V171 VanDerWaalsContact CD1-CG1 3.49Å; Y23-V171 HydrophobicContact CD1-CG2 3.96Å; Y23-V171 HydrophobicContact CD2-CG1 4.17Å; Y23-V171 HydrophobicContact CD2-CG2 4.28Å; Y23-V171 HydrophobicContact CE1-CG1 3.46Å; Y23-V171 VanDerWaalsContact CE1-CG1 3.46Å; Y23-V171 HydrophobicContact CE2-CG1 4.15Å; Y23-V171 HydrophobicContact CG-CB 4.32Å; Y23-V171 HydrophobicContact CG-CG1 3.89Å; Y23-V171 HydrophobicContact CG-CG2 3.73Å; F53-V171 CarbonylContact O-C 3.58Å; F53-V171 WeakPolarHBondContact O-CA 3.09Å; K54-V171 HydrophobicContact CG-CG2 4.23Å; N154-V171 CarbonylContact C-O 3.58Å; N154-V171 VanDerWaalsContact CA-O 3.27Å; N154-V171 WeakPolarHBondContact CA-O 3.12Å; A155-V171 HydrophobicContact CB-CB 4.39Å; A155-V171 PolarHBondContact N-O 3.07Å; A155-V171 PolarHBondContact O-N 3.24Å; T169-V171 HydrophobicContact CG2-CG2 4.17Å |
| 172 | T | 92.2 | Very high | 86.8 | Confident | 24 Ų | 24 | 50 Ų | 50 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 132.2 | 171.8 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | A52 F53 M153 Y170 | A52-T172 CarbonylContact C-O 3.51Å; A52-T172 WeakPolarHBondContact CA-O 3.12Å; F53-T172 HydrophobicContact CB-CG2 4.13Å; F53-T172 PolarHBondContact N-O 3.24Å; F53-T172 PolarHBondContact O-N 3.39Å; M153-T172 CarbonylContact O-C 3.42Å; M153-T172 WeakPolarHBondContact O-CA 3.35Å; Y170-T172 HydrophobicContact CE1-CG2 3.86Å |
| 173 | S | 90.2 | Very high | 85.7 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 107.5 | 167.1 | -178.2 | 0 | 0 | 0 | 0 | 106.4 | H152 M153 | H152-S173 WeakPolarHBondContact CB-O 3.43Å; H152-S173 PolarHBondContact N-O 2.79Å; M153-S173 PolarHBondContact N-O 2.99Å; M153-S173 VanDerWaalsContact N-O 3.17Å; M153-S173 PolarHBondContact O-N 2.79Å |
| 174 | C | 88.4 | Confident | 84.7 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 10% | 0.095 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 129.2 | -170 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | L150 F176 | L150-C174 CarbonylContact O-C 3.55Å; L150-C174 VanDerWaalsContact O-CA 3.29Å; L150-C174 WeakPolarHBondContact O-CA 3.47Å; L150-C174 PolarHBondContact O-SG 3.48Å; C174-F176 HydrophobicContact CB-CZ 4.39Å |
| 175 | D | 87.4 | Confident | 83.4 | Confident | 48 Ų | 48 | 44.6 Ų | 44.6 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 100.9 | 161.8 | 177 | 11.4 | 0 | 0 | 0 | 108.5 | I50 A149 L150 R177 | I50-D175 HydrophobicContact CD1-CB 3.69Å; I50-D175 HydrophobicContact CG1-CB 4.01Å; A149-D175 WeakPolarHBondContact CA-O 3.31Å; L150-D175 HydrophobicContact CB-CB 4.29Å; L150-D175 PolarHBondContact N-O 2.84Å; L150-D175 PolarHBondContact O-N 3.16Å; D175-R177 PolarHBondContact O-N 2.73Å; D175-R177 VanDerWaalsContact OD1-CA 3.31Å; D175-R177 WeakPolarHBondContact OD1-CA 3.48Å; D175-R177 WeakPolarHBondContact OD1-CG 3.33Å; D175-R177 PolarHBondContact OD1-N 2.82Å; D175-R177 VanDerWaalsContact OD2-CG 3.29Å; D175-R177 WeakPolarHBondContact OD2-CG 3.23Å |
| 176 | F | 83 | Confident | 82 | Confident | 94 Ų | 94 | 46.3 Ų | 46.3 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | trans | -66.8 | -12.9 | 176.8 | -67.8 | -71.7 | 0 | 0 | 0 | 113.7 | R113 C174 I180 | R113-F176 PolarHBondContact NE-O 2.93Å; C174-F176 HydrophobicContact CB-CZ 4.39Å; F176-I180 HydrophobicContact CB-CD1 3.33Å; F176-I180 HydrophobicContact CD2-CD1 4.32Å; F176-I180 HydrophobicContact CG-CD1 4Å | ||
| 177 | R | 83.6 | Confident | 80.5 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | trans | 55.1 | 162.6 | -174.2 | -70.4 | 173.4 | 43.9 | 110.5 | 0.6 | 113.4 | R113 I147 R148 D175 L243 G244 T246 | R113-R177 PolarHBondContact NH2-O 2.89Å; I147-R177 HydrophobicContact CG2-CB 3.7Å; R148-R177 WeakPolarHBondContact O-CD 3.28Å; R148-R177 PolarHBondContact O-NE 2.94Å; R148-R177 VanDerWaalsContact O-NE 3.1Å; D175-R177 PolarHBondContact O-N 2.73Å; D175-R177 VanDerWaalsContact OD1-CA 3.31Å; D175-R177 WeakPolarHBondContact OD1-CA 3.48Å; D175-R177 WeakPolarHBondContact OD1-CG 3.33Å; D175-R177 PolarHBondContact OD1-N 2.82Å; D175-R177 VanDerWaalsContact OD2-CG 3.29Å; D175-R177 WeakPolarHBondContact OD2-CG 3.23Å; R177-L243 VanDerWaalsContact NH1-CB 3.32Å; R177-L243 VanDerWaalsContact NH2-CB 3.27Å; R177-L243 PolarHBondContact NH2-O 3.08Å; R177-L243 VanDerWaalsContact NH2-O 3.09Å; R177-G244 PolarHBondContact NH2-O 2.86Å; R177-T246 HydrophobicContact CB-CG2 4.41Å; R177-T246 VanDerWaalsContact NH2-CG2 3.33Å | ||
| 178 | G | 71.1 | Confident | 79.1 | Confident | 29 Ų | 29 | 48 Ų | 48 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 82.1 | -175.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113 | I180 T246 | G178-I180 PolarHBondContact O-N 2.79Å; G178-T246 WeakPolarHBondContact CA-O 3.25Å |
| 179 | K | 68.6 | Low | 77.5 | Confident | 173 Ų | 173 | 48.4 Ų | 48.4 | 75% | 0.752 | 24% | 0.244 | S | C | * | . | trans | -94 | 61.5 | -172.2 | -70.7 | -179 | -177.1 | 175.3 | 0 | 111 | P181 D248 I252 | K179-P181 VanDerWaalsContact O-CD 3.27Å; K179-P181 WeakPolarHBondContact O-CD 3.2Å; K179-D248 PolarHBondContact N-OD2 3.41Å; K179-I252 HydrophobicContact CB-CD1 3.71Å; K179-I252 WeakPolarHBondContact O-CD1 2.97Å | ||
| 180 | I | 69.5 | Low | 76.1 | Confident | 42 Ų | 42 | 52.1 Ų | 52.1 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | trans | -73.3 | 121.6 | -179.3 | -55.1 | -170.8 | 0 | 0 | 0 | 109.9 | F176 G178 V184 I185 | F176-I180 HydrophobicContact CB-CD1 3.33Å; F176-I180 HydrophobicContact CD2-CD1 4.32Å; F176-I180 HydrophobicContact CG-CD1 4Å; G178-I180 PolarHBondContact O-N 2.79Å; I180-V184 HydrophobicContact CG2-CB 3.97Å; I180-V184 HydrophobicContact CG2-CG1 4.04Å; I180-I185 HydrophobicContact CG2-CG1 4.3Å | ||
| 181 | P | 68.4 | Low | 75 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | trans | -63.7 | 141.3 | 178.8 | -22 | 33.3 | 0 | 0 | 0 | 112.5 | K179 W183 V184 I185 I252 | K179-P181 VanDerWaalsContact O-CD 3.27Å; K179-P181 WeakPolarHBondContact O-CD 3.2Å; P181-W183 HydrophobicContact CB-CD2 4.47Å; P181-W183 HydrophobicContact CB-CG 4.16Å; P181-W183 PolarHBondContact O-N 3.44Å; P181-W183 VanDerWaalsContact O-N 3.15Å; P181-V184 HydrophobicContact CB-CG2 4.11Å; P181-V184 HydrophobicContact CG-CG2 4.15Å; P181-V184 VanDerWaalsContact O-CB 3.29Å; P181-V184 WeakPolarHBondContact O-CB 3.47Å; P181-V184 PolarHBondContact O-N 3.4Å; P181-I185 PolarHBondContact O-N 3.13Å; P181-I252 HydrophobicContact CG-CG2 3.9Å | ||
| 182 | I | 65.4 | Low | 74.2 | Confident | 118 Ų | 118 | 58.3 Ų | 58.3 | 61% | 0.605 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -56.8 | -34.8 | -179.9 | -63.2 | 171.8 | 0 | 0 | 0 | 112.1 | V184 I185 N186 | I182-V184 PolarHBondContact O-N 3.39Å; I182-I185 WeakPolarHBondContact O-CB 3.26Å; I182-I185 PolarHBondContact O-N 3.01Å; I182-I185 VanDerWaalsContact O-N 3.14Å; I182-N186 PolarHBondContact O-N 2.9Å |
| 183 | W | 69.4 | Low | 73.7 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 30% | 0.295 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -31.7 | 177.3 | 70 | -102.7 | 0 | 0 | 0 | 112.3 | P181 I185 N186 K187 L255 I261 | P181-W183 HydrophobicContact CB-CD2 4.47Å; P181-W183 HydrophobicContact CB-CG 4.16Å; P181-W183 PolarHBondContact O-N 3.44Å; P181-W183 VanDerWaalsContact O-N 3.15Å; W183-I185 VanDerWaalsContact C-N 3.35Å; W183-N186 PolarHBondContact O-N 3.11Å; W183-K187 HydrophobicContact CE3-CD 3.87Å; W183-K187 HydrophobicContact CE3-CG 4.33Å; W183-K187 HydrophobicContact CZ3-CD 3.91Å; W183-K187 PolarHBondContact O-N 3.05Å; W183-L255 HydrophobicContact CH2-CB 4.14Å; W183-L255 HydrophobicContact CH2-CD1 4.21Å; W183-L255 HydrophobicContact CZ2-CB 3.62Å; W183-L255 HydrophobicContact CZ2-CD1 3.76Å; W183-L255 HydrophobicContact CZ2-CG 4.24Å; W183-I261 HydrophobicContact CZ3-CD1 4.46Å |
| 184 | V | 69.2 | Low | 73.4 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -43 | 175 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | I180 P181 I182 N186 K187 A188 | I180-V184 HydrophobicContact CG2-CB 3.97Å; I180-V184 HydrophobicContact CG2-CG1 4.04Å; P181-V184 HydrophobicContact CB-CG2 4.11Å; P181-V184 HydrophobicContact CG-CG2 4.15Å; P181-V184 VanDerWaalsContact O-CB 3.29Å; P181-V184 WeakPolarHBondContact O-CB 3.47Å; P181-V184 PolarHBondContact O-N 3.4Å; I182-V184 PolarHBondContact O-N 3.39Å; V184-N186 VanDerWaalsContact C-N 3.34Å; V184-N186 PolarHBondContact O-N 2.53Å; V184-K187 PolarHBondContact O-N 3.02Å; V184-A188 WeakPolarHBondContact O-CB 3.39Å; V184-A188 PolarHBondContact O-N 3.22Å |
| 185 | I | 66.6 | Low | 73.4 | Confident | 55 Ų | 55 | 60.9 Ų | 60.9 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 177.3 | -53.7 | 177.1 | 0 | 0 | 0 | 110.5 | F53 I180 P181 I182 W183 A188 T189 | F53-I185 HydrophobicContact CE2-CG2 4.12Å; F53-I185 HydrophobicContact CZ-CG2 3.74Å; I180-I185 HydrophobicContact CG2-CG1 4.3Å; P181-I185 PolarHBondContact O-N 3.13Å; I182-I185 WeakPolarHBondContact O-CB 3.26Å; I182-I185 PolarHBondContact O-N 3.01Å; I182-I185 VanDerWaalsContact O-N 3.14Å; W183-I185 VanDerWaalsContact C-N 3.35Å; I185-A188 WeakPolarHBondContact O-CB 3.47Å; I185-A188 PolarHBondContact O-N 3.33Å; I185-T189 PolarHBondContact O-N 3.37Å |
| 186 | N | 67.7 | Low | 73.4 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 178.7 | -67.1 | -20 | 0 | 0 | 0 | 112.9 | I182 W183 V184 A188 T189 Q190 | I182-N186 PolarHBondContact O-N 2.9Å; W183-N186 PolarHBondContact O-N 3.11Å; V184-N186 VanDerWaalsContact C-N 3.34Å; V184-N186 PolarHBondContact O-N 2.53Å; N186-A188 VanDerWaalsContact C-N 3.32Å; N186-T189 PolarHBondContact O-OG1 3.33Å; N186-Q190 WeakPolarHBondContact O-CG 3.18Å; N186-Q190 PolarHBondContact O-N 2.85Å |
| 187 | K | 67.3 | Low | 73.9 | Confident | 68 Ų | 68 | 57.5 Ų | 57.5 | 30% | 0.296 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.3 | -33.4 | 172.9 | -75.4 | -167.2 | -175.7 | -179.7 | 0 | 111.5 | W183 V184 T189 Q190 F191 T257 | W183-K187 HydrophobicContact CE3-CD 3.87Å; W183-K187 HydrophobicContact CE3-CG 4.33Å; W183-K187 HydrophobicContact CZ3-CD 3.91Å; W183-K187 PolarHBondContact O-N 3.05Å; V184-K187 PolarHBondContact O-N 3.02Å; K187-T189 PolarHBondContact O-N 3.4Å; K187-Q190 PolarHBondContact O-N 2.61Å; K187-F191 HydrophobicContact CB-CD2 4.45Å; K187-F191 PolarHBondContact O-N 2.81Å; K187-T257 PolarHBondContact NZ-O 2.86Å |
| 188 | A | 67.6 | Low | 74.3 | Confident | 25 Ų | 25 | 60 Ų | 60 | 21% | 0.207 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -58.7 | -47.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V184 I185 N186 M192 A193 | V184-A188 WeakPolarHBondContact O-CB 3.39Å; V184-A188 PolarHBondContact O-N 3.22Å; I185-A188 WeakPolarHBondContact O-CB 3.47Å; I185-A188 PolarHBondContact O-N 3.33Å; N186-A188 VanDerWaalsContact C-N 3.32Å; A188-M192 HydrophobicContact CB-CE 3.21Å; A188-M192 WeakPolarHBondContact O-CA 3.43Å; A188-M192 WeakPolarHBondContact O-CB 3.38Å; A188-M192 PolarHBondContact O-N 3.15Å; A188-A193 PolarHBondContact O-N 3.14Å |
| 189 | T | 64.7 | Low | 75.4 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -67.2 | -38.7 | -178.6 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | F53 I185 N186 K187 | F53-T189 HydrophobicContact CD1-CG2 3.32Å; F53-T189 HydrophobicContact CE1-CG2 3.17Å; F53-T189 HydrophobicContact CE2-CG2 4.39Å; F53-T189 HydrophobicContact CG-CG2 4.03Å; F53-T189 HydrophobicContact CZ-CG2 3.74Å; I185-T189 PolarHBondContact O-N 3.37Å; N186-T189 PolarHBondContact O-OG1 3.33Å; K187-T189 PolarHBondContact O-N 3.4Å |
| 190 | Q | 68.6 | Low | 76.8 | Confident | 85 Ų | 85 | 53.1 Ų | 53.1 | 40% | 0.397 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -80 | -34.1 | -174.5 | -68.8 | -179.8 | -11.9 | 0 | 0 | 113.3 | N186 K187 | N186-Q190 WeakPolarHBondContact O-CG 3.18Å; N186-Q190 PolarHBondContact O-N 2.85Å; K187-Q190 PolarHBondContact O-N 2.61Å |
| 191 | F | 73.6 | Confident | 78.1 | Confident | 138 Ų | 138 | 55.1 Ų | 55.1 | 61% | 0.605 | 28% | 0.277 | S | S | * | . | I | π-helix | trans | -119.8 | -43.8 | -171.8 | -59.7 | -73 | 0 | 0 | 0 | 113.3 | K187 R195 | K187-F191 HydrophobicContact CB-CD2 4.45Å; K187-F191 PolarHBondContact O-N 2.81Å; F191-R195 WeakPolarHBondContact O-CB 3.41Å; F191-R195 PolarHBondContact O-N 3.27Å |
| 192 | M | 76.7 | Confident | 79.5 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -75.7 | -39.3 | -173.9 | -58.8 | -161.7 | -71.5 | 0 | 0 | 112 | A188 R195 A196 L263 | A188-M192 HydrophobicContact CB-CE 3.21Å; A188-M192 WeakPolarHBondContact O-CA 3.43Å; A188-M192 WeakPolarHBondContact O-CB 3.38Å; A188-M192 PolarHBondContact O-N 3.15Å; M192-R195 PolarHBondContact O-N 2.63Å; M192-A196 WeakPolarHBondContact O-CB 3.48Å; M192-A196 PolarHBondContact O-N 3.49Å; M192-L263 HydrophobicContact CG-CD1 4.31Å; M192-L263 HydrophobicContact SD-CD1 3.94Å |
| 193 | A | 81.1 | Confident | 81.1 | Confident | 29 Ų | 29 | 52 Ų | 52 | 24% | 0.24 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -50.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V40 A188 R195 A196 I197 | V40-A193 HydrophobicContact CG2-CB 4.49Å; A188-A193 PolarHBondContact O-N 3.14Å; A193-R195 VanDerWaalsContact C-N 3.3Å; A193-R195 PolarHBondContact O-N 2.99Å; A193-A196 PolarHBondContact O-N 3.23Å; A193-I197 WeakPolarHBondContact O-CG1 3.31Å; A193-I197 PolarHBondContact O-N 2.9Å |
| 194 | P | 84.1 | Confident | 82.5 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 174.9 | -25.7 | 35.4 | 0 | 0 | 0 | 113.1 | Y33 V38 I197 Q198 | Y33-P194 HydrophobicContact CD1-CG 4.26Å; Y33-P194 HydrophobicContact CE1-CB 4.46Å; Y33-P194 HydrophobicContact CE1-CG 3.85Å; Y33-P194 HydrophobicContact CE2-CG 4.42Å; V38-P194 HydrophobicContact CG1-CB 4.46Å; V38-P194 HydrophobicContact CG1-CG 4.49Å; P194-I197 PolarHBondContact O-N 3.27Å; P194-Q198 WeakPolarHBondContact O-CG 3.31Å; P194-Q198 PolarHBondContact O-N 2.98Å |
| 195 | R | 86.8 | Confident | 83.8 | Confident | 73 Ų | 73 | 51.6 Ų | 51.6 | 28% | 0.275 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 178.2 | -177.3 | 60.2 | 179.9 | 126 | 10.5 | 112 | F191 M192 A193 I197 Q198 I199 D267 | F191-R195 WeakPolarHBondContact O-CB 3.41Å; F191-R195 PolarHBondContact O-N 3.27Å; M192-R195 PolarHBondContact O-N 2.63Å; A193-R195 VanDerWaalsContact C-N 3.3Å; A193-R195 PolarHBondContact O-N 2.99Å; R195-I197 VanDerWaalsContact C-N 3.33Å; R195-I197 PolarHBondContact O-N 2.81Å; R195-Q198 PolarHBondContact O-N 3.07Å; R195-I199 HydrophobicContact CG-CD1 4.13Å; R195-I199 WeakPolarHBondContact O-CG1 3.22Å; R195-I199 PolarHBondContact O-N 3.36Å; R195-D267 IonicContact CZ-OD2 2.78Å; R195-D267 IonicContact NH1-OD2 3.04Å; R195-D267 VanDerWaalsContact NH2-CB 3.32Å; R195-D267 IonicContact NH2-OD2 3.96Å; R195-D267 PolarHBondContact NH2-OD2 3.35Å |
| 196 | A | 88.7 | Confident | 85.3 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | M192 A193 Q198 I199 L200 | M192-A196 WeakPolarHBondContact O-CB 3.48Å; M192-A196 PolarHBondContact O-N 3.49Å; A193-A196 PolarHBondContact O-N 3.23Å; A196-Q198 PolarHBondContact O-N 2.85Å; A196-I199 PolarHBondContact O-N 3.36Å; A196-L200 PolarHBondContact O-N 3.14Å |
| 197 | I | 92.7 | Very high | 86.7 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 174.6 | -69.6 | 167.3 | 0 | 0 | 0 | 111.1 | V38 A55 A57 F59 M168 A193 P194 R195 I199 L200 Y201 | V38-I197 HydrophobicContact CG1-CD1 3.79Å; V38-I197 HydrophobicContact CG2-CG2 4.19Å; A55-I197 HydrophobicContact CB-CD1 3.87Å; A57-I197 HydrophobicContact CB-CD1 4.23Å; A57-I197 HydrophobicContact CB-CG2 3.47Å; A57-I197 VanDerWaalsContact CB-CG2 3.47Å; F59-I197 HydrophobicContact CE2-CG2 4.25Å; F59-I197 HydrophobicContact CZ-CG2 4.33Å; M168-I197 HydrophobicContact CE-CG1 4.04Å; A193-I197 WeakPolarHBondContact O-CG1 3.31Å; A193-I197 PolarHBondContact O-N 2.9Å; P194-I197 PolarHBondContact O-N 3.27Å; R195-I197 VanDerWaalsContact C-N 3.33Å; R195-I197 PolarHBondContact O-N 2.81Å; I197-I199 VanDerWaalsContact C-N 3.34Å; I197-I199 PolarHBondContact O-N 3.27Å; I197-L200 PolarHBondContact O-N 3.37Å; I197-Y201 WeakPolarHBondContact O-CB 3.2Å; I197-Y201 PolarHBondContact O-N 3.42Å |
| 198 | Q | 92.4 | Very high | 88.2 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 177.2 | -72.9 | 172.2 | -3.4 | 0 | 0 | 112.8 | P194 R195 A196 K202 | P194-Q198 WeakPolarHBondContact O-CG 3.31Å; P194-Q198 PolarHBondContact O-N 2.98Å; R195-Q198 PolarHBondContact O-N 3.07Å; A196-Q198 PolarHBondContact O-N 2.85Å; Q198-K202 WeakPolarHBondContact O-CG 3.43Å; Q198-K202 PolarHBondContact O-N 3.09Å |
| 199 | I | 95.3 | Very high | 89.6 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 175.4 | -70.5 | 167.9 | 0 | 0 | 0 | 109.7 | W80 R195 A196 I197 K202 A203 | W80-I199 HydrophobicContact CE3-CG2 3.68Å; W80-I199 HydrophobicContact CZ3-CG2 3.94Å; R195-I199 HydrophobicContact CG-CD1 4.13Å; R195-I199 WeakPolarHBondContact O-CG1 3.22Å; R195-I199 PolarHBondContact O-N 3.36Å; A196-I199 PolarHBondContact O-N 3.36Å; I197-I199 VanDerWaalsContact C-N 3.34Å; I197-I199 PolarHBondContact O-N 3.27Å; I199-K202 PolarHBondContact O-N 2.83Å; I199-A203 PolarHBondContact O-N 3.17Å |
| 200 | L | 97.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 176.2 | 173.6 | 59.2 | 0 | 0 | 0 | 111.4 | F59 L67 I71 W80 Y156 M168 A196 I197 K202 A203 C204 | F59-L200 HydrophobicContact CE1-CG 4.15Å; F59-L200 HydrophobicContact CZ-CD2 4.16Å; F59-L200 HydrophobicContact CZ-CG 4.16Å; L67-L200 HydrophobicContact CD1-CD1 4.09Å; L67-L200 HydrophobicContact CD1-CD2 4.03Å; L67-L200 HydrophobicContact CD1-CG 4.06Å; I71-L200 HydrophobicContact CD1-CD2 4.34Å; I71-L200 HydrophobicContact CG1-CD1 4.01Å; I71-L200 HydrophobicContact CG1-CD2 4.38Å; W80-L200 HydrophobicContact CH2-CB 4.01Å; W80-L200 HydrophobicContact CH2-CD1 3.45Å; W80-L200 VanDerWaalsContact CH2-CD1 3.45Å; W80-L200 HydrophobicContact CH2-CG 4.26Å; W80-L200 HydrophobicContact CZ2-CD1 3.73Å; W80-L200 HydrophobicContact CZ3-CB 4.13Å; W80-L200 HydrophobicContact CZ3-CD1 4.32Å; Y156-L200 HydrophobicContact CE1-CD2 4.47Å; M168-L200 HydrophobicContact CE-CD2 4.09Å; M168-L200 HydrophobicContact SD-CD2 3.63Å; A196-L200 PolarHBondContact O-N 3.14Å; I197-L200 PolarHBondContact O-N 3.37Å; L200-K202 PolarHBondContact O-N 2.95Å; L200-A203 WeakPolarHBondContact O-CA 3.46Å; L200-A203 WeakPolarHBondContact O-CB 3.46Å; L200-A203 PolarHBondContact O-N 2.74Å; L200-C204 PolarHBondContact O-N 2.86Å; L200-C204 PolarHBondContact O-SG 3.11Å |
| 201 | Y | 97.1 | Very high | 92.6 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 33% | 0.325 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.8 | -49.3 | 175.8 | 178.3 | -90.1 | 0 | 0 | 0 | 111.9 | F59 K60 V62 I197 A203 C204 T205 | F59-Y201 HydrophobicContact CB-CD2 4.22Å; F59-Y201 HydrophobicContact CB-CE2 4.38Å; F59-Y201 AromaticContact CD1-CD2 3.59Å; F59-Y201 HydrophobicContact CD1-CD2 3.59Å; F59-Y201 HydrophobicContact CD1-CE2 4.46Å; F59-Y201 HydrophobicContact CD1-CG 4.38Å; F59-Y201 HydrophobicContact CE1-CD2 4.09Å; F59-Y201 HydrophobicContact CE1-CG 4.48Å; F59-Y201 AromaticContact CG-CD2 3.91Å; F59-Y201 HydrophobicContact CG-CD2 3.91Å; K60-Y201 WeakPolarHBondContact O-CE2 3.29Å; K60-Y201 PolarHBondContact O-OH 2.78Å; V62-Y201 HydrophobicContact CG2-CE2 4.43Å; I197-Y201 WeakPolarHBondContact O-CB 3.2Å; I197-Y201 PolarHBondContact O-N 3.42Å; Y201-A203 VanDerWaalsContact C-N 3.28Å; Y201-A203 PolarHBondContact O-N 3.43Å; Y201-C204 PolarHBondContact O-N 2.83Å; Y201-T205 HydrophobicContact CD1-CG2 4.4Å; Y201-T205 HydrophobicContact CE1-CG2 4Å; Y201-T205 WeakPolarHBondContact O-CG2 3.5Å; Y201-T205 PolarHBondContact O-N 3.16Å; Y201-T205 VanDerWaalsContact O-N 3.12Å |
| 202 | K | 97.4 | Very high | 93.8 | Very high | 76 Ų | 76 | 54.4 Ų | 54.4 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 176 | -72 | -178.6 | -176.9 | -172.6 | 0 | 112.1 | Q198 I199 L200 T205 | Q198-K202 WeakPolarHBondContact O-CG 3.43Å; Q198-K202 PolarHBondContact O-N 3.09Å; I199-K202 PolarHBondContact O-N 2.83Å; L200-K202 PolarHBondContact O-N 2.95Å; K202-T205 PolarHBondContact O-OG1 3.06Å |
| 203 | A | 98.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y76 W80 I199 L200 Y201 T205 K206 Y207 | Y76-A203 HydrophobicContact CE1-CB 4.08Å; Y76-A203 PolarHBondContact OH-O 2.99Å; W80-A203 HydrophobicContact CB-CB 3.79Å; W80-A203 HydrophobicContact CD2-CB 3.47Å; W80-A203 VanDerWaalsContact CD2-CB 3.47Å; W80-A203 HydrophobicContact CE3-CB 3.95Å; W80-A203 HydrophobicContact CG-CB 3.41Å; W80-A203 VanDerWaalsContact CG-CB 3.41Å; W80-A203 HydrophobicContact CZ2-CB 4.46Å; I199-A203 PolarHBondContact O-N 3.17Å; L200-A203 WeakPolarHBondContact O-CA 3.46Å; L200-A203 WeakPolarHBondContact O-CB 3.46Å; L200-A203 PolarHBondContact O-N 2.74Å; Y201-A203 VanDerWaalsContact C-N 3.28Å; Y201-A203 PolarHBondContact O-N 3.43Å; A203-T205 VanDerWaalsContact C-N 3.32Å; A203-T205 PolarHBondContact O-N 2.9Å; A203-K206 CarbonylContact O-C 3.48Å; A203-K206 PolarHBondContact O-N 2.97Å; A203-Y207 PolarHBondContact O-N 2.94Å |
| 204 | C | 98.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | V62 L67 L200 Y201 K206 Y207 | V62-C204 HydrophobicContact CG1-CB 3.71Å; V62-C204 HydrophobicContact CG2-CB 4.02Å; L67-C204 WeakPolarHBondContact CD1-SG 3.47Å; L200-C204 PolarHBondContact O-N 2.86Å; L200-C204 PolarHBondContact O-SG 3.11Å; Y201-C204 PolarHBondContact O-N 2.83Å; C204-K206 PolarHBondContact O-N 3.49Å; C204-Y207 WeakPolarHBondContact O-CB 3.3Å; C204-Y207 PolarHBondContact O-N 2.93Å; C204-Y207 VanDerWaalsContact O-N 3.11Å |
| 205 | T | 97.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 62.8 Ų | 62.8 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -18.1 | 177.5 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | V62 Y201 K202 A203 | V62-T205 HydrophobicContact CG2-CG2 4.11Å; Y201-T205 HydrophobicContact CD1-CG2 4.4Å; Y201-T205 HydrophobicContact CE1-CG2 4Å; Y201-T205 WeakPolarHBondContact O-CG2 3.5Å; Y201-T205 PolarHBondContact O-N 3.16Å; Y201-T205 VanDerWaalsContact O-N 3.12Å; K202-T205 PolarHBondContact O-OG1 3.06Å; A203-T205 VanDerWaalsContact C-N 3.32Å; A203-T205 PolarHBondContact O-N 2.9Å |
| 206 | K | 97.8 | Very high | 96.7 | Very high | 134 Ų | 134 | 62.2 Ų | 62.2 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -107.7 | -9 | -179.6 | -66.8 | 176.2 | -178.8 | -178.5 | 0 | 112.8 | Y76 A203 C204 T209 W210 | Y76-K206 WeakPolarHBondContact OH-CB 3.25Å; A203-K206 CarbonylContact O-C 3.48Å; A203-K206 PolarHBondContact O-N 2.97Å; C204-K206 PolarHBondContact O-N 3.49Å; K206-T209 PolarHBondContact O-N 3.47Å; K206-W210 PolarHBondContact O-N 3.44Å |
| 207 | Y | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -54.3 | -170.3 | 174.7 | -112.2 | 0 | 0 | 0 | 112.2 | D69 C70 D73 Y76 A203 C204 T209 W210 K211 | D69-Y207 HydrophobicContact CB-CD1 4.17Å; D69-Y207 HydrophobicContact CB-CE1 3.33Å; C70-Y207 HydrophobicContact CB-CD2 4.35Å; C70-Y207 HydrophobicContact CB-CG 4.11Å; D73-Y207 HydrophobicContact CB-CE2 3.87Å; D73-Y207 PolarHBondContact OD2-OH 3.24Å; D73-Y207 VanDerWaalsContact OD2-OH 3.07Å; Y76-Y207 AromaticContact CD1-CD2 3.38Å; Y76-Y207 HydrophobicContact CD1-CD2 3.38Å; Y76-Y207 HydrophobicContact CD1-CE2 4.07Å; Y76-Y207 HydrophobicContact CD1-CG 4.33Å; Y76-Y207 HydrophobicContact CD2-CD2 4.47Å; Y76-Y207 AromaticContact CE1-CD2 3.7Å; Y76-Y207 HydrophobicContact CE1-CD2 3.7Å; Y76-Y207 HydrophobicContact CE1-CG 4.27Å; Y76-Y207 AromaticContact CG-CD2 3.79Å; Y76-Y207 HydrophobicContact CG-CD2 3.79Å; Y76-Y207 HydrophobicContact CG-CE2 4.18Å; A203-Y207 PolarHBondContact O-N 2.94Å; C204-Y207 WeakPolarHBondContact O-CB 3.3Å; C204-Y207 PolarHBondContact O-N 2.93Å; C204-Y207 VanDerWaalsContact O-N 3.11Å; Y207-T209 VanDerWaalsContact C-N 3.3Å; Y207-T209 PolarHBondContact O-N 3Å; Y207-W210 HydrophobicContact CD2-CE3 4.44Å; Y207-W210 HydrophobicContact CE2-CE3 4.31Å; Y207-W210 HydrophobicContact CE2-CZ3 4.36Å; Y207-W210 CarbonylContact O-C 3.55Å; Y207-W210 PolarHBondContact O-N 3.38Å; Y207-W210 VanDerWaalsContact O-N 3.1Å; Y207-K211 HydrophobicContact CE1-CB 4.37Å; Y207-K211 HydrophobicContact CE1-CG 4.47Å; Y207-K211 HydrophobicContact CE2-CB 4.22Å; Y207-K211 HydrophobicContact CE2-CD 4.31Å; Y207-K211 HydrophobicContact CE2-CG 4.46Å; Y207-K211 WeakPolarHBondContact O-CB 3.31Å; Y207-K211 PolarHBondContact O-N 3.46Å |
| 208 | N | 97.2 | Very high | 97.3 | Very high | 61 Ų | 61 | 69.6 Ų | 69.6 | 33% | 0.326 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | -176.8 | -79.4 | -21.9 | 0 | 0 | 0 | 113.1 | E66 K211 K212 | E66-N208 WeakPolarHBondContact CG-ND2 3.34Å; E66-N208 PolarHBondContact OE1-ND2 3.11Å; N208-K211 PolarHBondContact O-N 3.47Å; N208-K212 VanDerWaalsContact O-CG 3.29Å; N208-K212 WeakPolarHBondContact O-CG 3.33Å; N208-K212 PolarHBondContact O-N 3.1Å; N208-K212 VanDerWaalsContact O-N 3.15Å |
| 209 | T | 98.1 | Very high | 97.6 | Very high | 103 Ų | 103 | 66.6 Ų | 66.6 | 63% | 0.632 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.2 | -45.2 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | K206 Y207 | K206-T209 PolarHBondContact O-N 3.47Å; Y207-T209 VanDerWaalsContact C-N 3.3Å; Y207-T209 PolarHBondContact O-N 3Å |
| 210 | W | 98.4 | Very high | 97.7 | Very high | 41 Ų | 41 | 65.2 Ų | 65.2 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 175.6 | 176.8 | 91 | 0 | 0 | 0 | 111.5 | D75 Y76 E79 K206 Y207 K212 S213 N214 | D75-W210 HydrophobicContact CB-CH2 4Å; Y76-W210 HydrophobicContact CD2-CB 4.12Å; Y76-W210 AromaticContact CD2-CD2 3.19Å; Y76-W210 HydrophobicContact CD2-CD2 3.19Å; Y76-W210 AromaticContact CD2-CE2 3.58Å; Y76-W210 AromaticContact CD2-CE3 3.34Å; Y76-W210 HydrophobicContact CD2-CE3 3.34Å; Y76-W210 AromaticContact CD2-CG 3.53Å; Y76-W210 HydrophobicContact CD2-CG 3.53Å; Y76-W210 HydrophobicContact CD2-CH2 4.2Å; Y76-W210 HydrophobicContact CD2-CZ2 4.07Å; Y76-W210 AromaticContact CD2-CZ3 3.87Å; Y76-W210 HydrophobicContact CD2-CZ3 3.87Å; Y76-W210 HydrophobicContact CE2-CB 3.6Å; Y76-W210 AromaticContact CE2-CD1 3.89Å; Y76-W210 AromaticContact CE2-CD2 3.64Å; Y76-W210 HydrophobicContact CE2-CD2 3.64Å; Y76-W210 HydrophobicContact CE2-CE3 4.04Å; Y76-W210 AromaticContact CE2-CG 3.41Å; Y76-W210 HydrophobicContact CE2-CG 3.41Å; Y76-W210 VanDerWaalsContact CE2-CG 3.41Å; Y76-W210 HydrophobicContact CG-CD2 4.12Å; Y76-W210 AromaticContact CG-CE3 3.81Å; Y76-W210 HydrophobicContact CG-CE3 3.81Å; Y76-W210 HydrophobicContact CG-CH2 4.45Å; Y76-W210 HydrophobicContact CG-CZ3 4.01Å; E79-W210 HydrophobicContact CG-CZ2 4.27Å; K206-W210 PolarHBondContact O-N 3.44Å; Y207-W210 HydrophobicContact CD2-CE3 4.44Å; Y207-W210 HydrophobicContact CE2-CE3 4.31Å; Y207-W210 HydrophobicContact CE2-CZ3 4.36Å; Y207-W210 CarbonylContact O-C 3.55Å; Y207-W210 PolarHBondContact O-N 3.38Å; Y207-W210 VanDerWaalsContact O-N 3.1Å; W210-K212 VanDerWaalsContact C-N 3.29Å; W210-K212 PolarHBondContact O-N 3.19Å; W210-S213 PolarHBondContact O-N 3.36Å; W210-N214 HydrophobicContact CD2-CB 3.94Å; W210-N214 VanDerWaalsContact CE2-CG 3.4Å; W210-N214 HydrophobicContact CE3-CB 4.08Å; W210-N214 HydrophobicContact CH2-CB 3.72Å; W210-N214 HydrophobicContact CZ2-CB 3.57Å; W210-N214 HydrophobicContact CZ3-CB 3.96Å; W210-N214 PolarHBondContact NE1-ND2 3.27Å; W210-N214 PolarHBondContact O-N 2.74Å; W210-N214 PolarHBondContact O-ND2 3.23Å |
| 211 | K | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 65.7 Ų | 65.7 | 4% | 0.039 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -35.5 | -173.8 | -169.3 | 60.9 | 175.8 | -177.5 | 0 | 112.5 | D73 Y207 N208 S213 N214 N215 P216 Y218 | D73-K211 WeakPolarHBondContact OD2-CD 3.39Å; D73-K211 WeakPolarHBondContact OD2-CE 3.33Å; D73-K211 IonicContact OD2-NZ 3.07Å; D73-K211 PolarHBondContact OD2-NZ 3.46Å; Y207-K211 HydrophobicContact CE1-CB 4.37Å; Y207-K211 HydrophobicContact CE1-CG 4.47Å; Y207-K211 HydrophobicContact CE2-CB 4.22Å; Y207-K211 HydrophobicContact CE2-CD 4.31Å; Y207-K211 HydrophobicContact CE2-CG 4.46Å; Y207-K211 WeakPolarHBondContact O-CB 3.31Å; Y207-K211 PolarHBondContact O-N 3.46Å; N208-K211 PolarHBondContact O-N 3.47Å; K211-S213 PolarHBondContact O-N 3.47Å; K211-S213 VanDerWaalsContact O-N 3.13Å; K211-N214 CarbonylContact O-C 3.55Å; K211-N214 PolarHBondContact O-N 3.11Å; K211-N215 WeakPolarHBondContact CE-O 3.48Å; K211-N215 PolarHBondContact NZ-O 3.07Å; K211-P216 VanDerWaalsContact O-CA 3.31Å; K211-P216 WeakPolarHBondContact O-CA 3.36Å; K211-Y218 VanDerWaalsContact CE-O 3.24Å; K211-Y218 WeakPolarHBondContact CE-O 3.47Å; K211-Y218 PolarHBondContact NZ-O 3.31Å |
| 212 | K | 98.1 | Very high | 97.6 | Very high | 160 Ų | 160 | 65 Ų | 65 | 70% | 0.696 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -53.7 | -31 | 173.1 | -78.4 | 174.1 | -175.4 | -178.7 | 0 | 113.7 | N208 W210 | N208-K212 VanDerWaalsContact O-CG 3.29Å; N208-K212 WeakPolarHBondContact O-CG 3.33Å; N208-K212 PolarHBondContact O-N 3.1Å; N208-K212 VanDerWaalsContact O-N 3.15Å; W210-K212 VanDerWaalsContact C-N 3.29Å; W210-K212 PolarHBondContact O-N 3.19Å |
| 213 | S | 98 | Very high | 97.6 | Very high | 100 Ų | 100 | 67.6 Ų | 67.6 | 70% | 0.699 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -0.6 | -179.7 | -59.5 | 0 | 0 | 0 | 0 | 113.8 | W210 K211 | W210-S213 PolarHBondContact O-N 3.36Å; K211-S213 PolarHBondContact O-N 3.47Å; K211-S213 VanDerWaalsContact O-N 3.13Å |
| 214 | N | 98.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 69.7 Ų | 69.7 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -134.9 | 79.2 | -171.9 | -68 | -86.5 | 0 | 0 | 0 | 110.3 | W210 K211 | W210-N214 HydrophobicContact CD2-CB 3.94Å; W210-N214 VanDerWaalsContact CE2-CG 3.4Å; W210-N214 HydrophobicContact CE3-CB 4.08Å; W210-N214 HydrophobicContact CH2-CB 3.72Å; W210-N214 HydrophobicContact CZ2-CB 3.57Å; W210-N214 HydrophobicContact CZ3-CB 3.96Å; W210-N214 PolarHBondContact NE1-ND2 3.27Å; W210-N214 PolarHBondContact O-N 2.74Å; W210-N214 PolarHBondContact O-ND2 3.23Å; K211-N214 CarbonylContact O-C 3.55Å; K211-N214 PolarHBondContact O-N 3.11Å |
| 215 | N | 96.8 | Very high | 97.2 | Very high | 110 Ų | 110 | 77.7 Ų | 77.7 | 59% | 0.588 | 40% | 0.401 | S | S | * | . | trans | 50.6 | 66.1 | -178.8 | -57.7 | -36.4 | 0 | 0 | 0 | 112.1 | K211 D217 Y218 | K211-N215 WeakPolarHBondContact CE-O 3.48Å; K211-N215 PolarHBondContact NZ-O 3.07Å; N215-D217 PolarHBondContact O-N 2.85Å; N215-D217 VanDerWaalsContact O-N 3.16Å; N215-Y218 WeakPolarHBondContact O-CB 3.45Å; N215-Y218 PolarHBondContact O-N 2.67Å | ||
| 216 | P | 97.2 | Very high | 97.2 | Very high | 61 Ų | 61 | 76.9 Ų | 76.9 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35.7 | -169 | 20.9 | -33.3 | 0 | 0 | 0 | 114 | K211 | K211-P216 VanDerWaalsContact O-CA 3.31Å; K211-P216 WeakPolarHBondContact O-CA 3.36Å |
| 217 | D | 96.6 | Very high | 97.2 | Very high | 131 Ų | 131 | 72.2 Ų | 72.2 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -5 | -177.7 | -55 | -48.2 | 0 | 0 | 0 | 113.1 | N215 K219 Q226 | N215-D217 PolarHBondContact O-N 2.85Å; N215-D217 VanDerWaalsContact O-N 3.16Å; D217-K219 PolarHBondContact O-N 3.49Å; D217-Q226 PolarHBondContact O-NE2 3.18Å; D217-Q226 PolarHBondContact O-OE1 2.85Å |
| 218 | Y | 97.9 | Very high | 97 | Very high | 93 Ų | 93 | 79.4 Ų | 79.4 | 37% | 0.365 | 41% | 0.411 | S | S | . | . | trans | -89.9 | 101 | -179.8 | -172.4 | -107.3 | 0 | 0 | 0 | 111 | K211 N215 P220 Q226 | K211-Y218 VanDerWaalsContact CE-O 3.24Å; K211-Y218 WeakPolarHBondContact CE-O 3.47Å; K211-Y218 PolarHBondContact NZ-O 3.31Å; N215-Y218 WeakPolarHBondContact O-CB 3.45Å; N215-Y218 PolarHBondContact O-N 2.67Å; Y218-P220 HydrophobicContact CD1-CG 4.49Å; Y218-P220 HydrophobicContact CE1-CG 3.81Å; Y218-P220 HydrophobicContact CE2-CG 4.3Å; Y218-Q226 HydrophobicContact CD2-CB 4.27Å; Y218-Q226 HydrophobicContact CE2-CB 4.05Å | ||
| 219 | K | 97.9 | Very high | 97 | Very high | 33 Ų | 33 | 79 Ų | 79 | 14% | 0.143 | 41% | 0.409 | C | S | . | . | trans | -140.8 | 72 | 177.1 | -63.1 | -171.2 | 177 | -175.8 | 0 | 109.3 | D69 D217 W221 L222 Y223 Q226 | D69-K219 IonicContact OD2-NZ 3.39Å; D69-K219 PolarHBondContact OD2-NZ 3.06Å; D217-K219 PolarHBondContact O-N 3.49Å; K219-W221 HydrophobicContact CB-CD2 4.38Å; K219-W221 HydrophobicContact CB-CH2 4.2Å; K219-W221 HydrophobicContact CB-CZ2 3.79Å; K219-W221 HydrophobicContact CD-CZ2 4.09Å; K219-W221 HydrophobicContact CG-CH2 4.05Å; K219-W221 HydrophobicContact CG-CZ2 3.63Å; K219-W221 PolarHBondContact O-N 3.14Å; K219-W221 VanDerWaalsContact O-N 3.08Å; K219-L222 HydrophobicContact CB-CB 4.22Å; K219-L222 HydrophobicContact CB-CD1 4.2Å; K219-L222 HydrophobicContact CB-CG 4.24Å; K219-L222 HydrophobicContact CD-CD1 3.69Å; K219-L222 PolarHBondContact O-N 2.99Å; K219-Y223 HydrophobicContact CB-CD2 4.05Å; K219-Y223 HydrophobicContact CB-CE2 4.19Å; K219-Y223 PolarHBondContact O-N 3.36Å; K219-Q226 VanDerWaalsContact C-OE1 3.31Å | ||
| 220 | P | 97.1 | Very high | 97 | Very high | 19 Ų | 19 | 78.1 Ų | 78.1 | 12% | 0.123 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.8 | -175.7 | 22.6 | -34.9 | 0 | 0 | 0 | 113.9 | Y218 L222 Y223 Q226 I227 | Y218-P220 HydrophobicContact CD1-CG 4.49Å; Y218-P220 HydrophobicContact CE1-CG 3.81Å; Y218-P220 HydrophobicContact CE2-CG 4.3Å; P220-L222 VanDerWaalsContact C-N 3.28Å; P220-L222 PolarHBondContact O-N 2.82Å; P220-Y223 CarbonylContact O-C 3.6Å; P220-Q226 HydrophobicContact CB-CB 4.22Å; P220-I227 HydrophobicContact CB-CG1 3.75Å |
| 221 | W | 96.7 | Very high | 97 | Very high | 21 Ų | 21 | 82.4 Ų | 82.4 | 8% | 0.08 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.7 | 173.7 | 59 | 89.6 | 0 | 0 | 0 | 114.2 | F68 D69 M72 D73 W121 K219 | F68-W221 AromaticContact CE1-CD1 3.66Å; D69-W221 HydrophobicContact CB-CZ2 4.41Å; D69-W221 PolarHBondContact OD1-NE1 2.77Å; M72-W221 HydrophobicContact CB-CB 4.14Å; M72-W221 HydrophobicContact CB-CD2 3.57Å; M72-W221 HydrophobicContact CB-CE3 4.16Å; M72-W221 HydrophobicContact CB-CG 3.53Å; M72-W221 HydrophobicContact CE-CB 3.51Å; M72-W221 HydrophobicContact CE-CG 4.19Å; M72-W221 HydrophobicContact CG-CB 4.33Å; M72-W221 HydrophobicContact CG-CG 4.04Å; D73-W221 HydrophobicContact CB-CH2 3.44Å; D73-W221 VanDerWaalsContact CB-CH2 3.44Å; D73-W221 HydrophobicContact CB-CZ2 3.93Å; D73-W221 HydrophobicContact CB-CZ3 4.07Å; D73-W221 VanDerWaalsContact CG-CH2 3.48Å; D73-W221 WeakPolarHBondContact OD2-CH2 3.29Å; W121-W221 HydrophobicContact CZ2-CB 3.97Å; W121-W221 PolarHBondContact NE1-O 3.04Å; K219-W221 HydrophobicContact CB-CD2 4.38Å; K219-W221 HydrophobicContact CB-CH2 4.2Å; K219-W221 HydrophobicContact CB-CZ2 3.79Å; K219-W221 HydrophobicContact CD-CZ2 4.09Å; K219-W221 HydrophobicContact CG-CH2 4.05Å; K219-W221 HydrophobicContact CG-CZ2 3.63Å; K219-W221 PolarHBondContact O-N 3.14Å; K219-W221 VanDerWaalsContact O-N 3.08Å |
| 222 | L | 96.4 | Very high | 96.9 | Very high | 69 Ų | 69 | 82.8 Ų | 82.8 | 36% | 0.361 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -31.9 | 171.8 | -61.4 | -176.2 | 0 | 0 | 0 | 112.5 | F68 K219 P220 P224 | F68-L222 HydrophobicContact CD1-CD2 4.34Å; F68-L222 HydrophobicContact CE1-CD2 3.78Å; K219-L222 HydrophobicContact CB-CB 4.22Å; K219-L222 HydrophobicContact CB-CD1 4.2Å; K219-L222 HydrophobicContact CB-CG 4.24Å; K219-L222 HydrophobicContact CD-CD1 3.69Å; K219-L222 PolarHBondContact O-N 2.99Å; P220-L222 VanDerWaalsContact C-N 3.28Å; P220-L222 PolarHBondContact O-N 2.82Å; L222-P224 WeakPolarHBondContact O-CD 3.22Å |
| 223 | Y | 96.7 | Very high | 96.9 | Very high | 129 Ų | 129 | 77.9 Ų | 77.9 | 51% | 0.506 | 42% | 0.418 | S | S | . | . | trans | -122.3 | 88.3 | -175.2 | -53 | -65.2 | 0 | 0 | 0 | 109.7 | K219 P220 D225 Q226 | K219-Y223 HydrophobicContact CB-CD2 4.05Å; K219-Y223 HydrophobicContact CB-CE2 4.19Å; K219-Y223 PolarHBondContact O-N 3.36Å; P220-Y223 CarbonylContact O-C 3.6Å; Y223-D225 PolarHBondContact O-N 2.83Å; Y223-Q226 WeakPolarHBondContact O-CB 3.28Å; Y223-Q226 PolarHBondContact O-N 3.19Å | ||
| 224 | P | 93.6 | Very high | 96.7 | Very high | 49 Ų | 49 | 80.9 Ų | 80.9 | 32% | 0.318 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -57.6 | -25.7 | -175.4 | -28.5 | 36.3 | 0 | 0 | 0 | 114.9 | P95 L222 Q226 I227 | P95-P224 HydrophobicContact CB-CB 3.89Å; P95-P224 HydrophobicContact CB-CG 4.04Å; L222-P224 WeakPolarHBondContact O-CD 3.22Å; P224-Q226 PolarHBondContact O-N 2.84Å; P224-Q226 VanDerWaalsContact O-N 3.16Å; P224-I227 HydrophobicContact CB-CD1 4.04Å; P224-I227 VanDerWaalsContact O-CB 3.23Å; P224-I227 WeakPolarHBondContact O-CB 3.29Å; P224-I227 WeakPolarHBondContact O-CG1 3.08Å; P224-I227 PolarHBondContact O-N 3.46Å |
| 225 | D | 95.5 | Very high | 96.5 | Very high | 170 Ų | 170 | 84.1 Ų | 84.1 | 91% | 0.909 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -64.2 | -16 | 175.3 | -61.8 | -28.1 | 0 | 0 | 0 | 113.3 | Y223 | Y223-D225 PolarHBondContact O-N 2.83Š|
| 226 | Q | 97.3 | Very high | 96.5 | Very high | 61 Ų | 61 | 82 Ų | 82 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -86.6 | -6.1 | 173.9 | -58.5 | -178.1 | -17.3 | 0 | 0 | 113 | D217 Y218 K219 P220 Y223 P224 N228 | D217-Q226 PolarHBondContact O-NE2 3.18Å; D217-Q226 PolarHBondContact O-OE1 2.85Å; Y218-Q226 HydrophobicContact CD2-CB 4.27Å; Y218-Q226 HydrophobicContact CE2-CB 4.05Å; K219-Q226 VanDerWaalsContact C-OE1 3.31Å; P220-Q226 HydrophobicContact CB-CB 4.22Å; Y223-Q226 WeakPolarHBondContact O-CB 3.28Å; Y223-Q226 PolarHBondContact O-N 3.19Å; P224-Q226 PolarHBondContact O-N 2.84Å; P224-Q226 VanDerWaalsContact O-N 3.16Å; Q226-N228 PolarHBondContact O-N 2.82Å |
| 227 | I | 96.6 | Very high | 96.3 | Very high | 36 Ų | 36 | 80.5 Ų | 80.5 | 19% | 0.185 | 41% | 0.408 | C | S | . | . | trans | -71.5 | 120.4 | -179.2 | -64.1 | 169.6 | 0 | 0 | 0 | 109.1 | Q92 P95 P220 P224 L229 | Q92-I227 HydrophobicContact CB-CG2 4.47Å; P95-I227 VanDerWaalsContact O-CD1 3.31Å; P95-I227 WeakPolarHBondContact O-CD1 3.49Å; P220-I227 HydrophobicContact CB-CG1 3.75Å; P224-I227 HydrophobicContact CB-CD1 4.04Å; P224-I227 VanDerWaalsContact O-CB 3.23Å; P224-I227 WeakPolarHBondContact O-CB 3.29Å; P224-I227 WeakPolarHBondContact O-CG1 3.08Å; P224-I227 PolarHBondContact O-N 3.46Å; I227-L229 HydrophobicContact CG2-CB 3.99Å; I227-L229 HydrophobicContact CG2-CD1 4.26Å; I227-L229 HydrophobicContact CG2-CG 4.16Å | ||
| 228 | N | 95.6 | Very high | 96 | Very high | 151 Ų | 151 | 76.7 Ų | 76.7 | 81% | 0.807 | 39% | 0.388 | S | S | * | . | trans | -118.4 | 57.1 | 176 | -171.5 | 25.1 | 0 | 0 | 0 | 110.1 | Q226 | Q226-N228 PolarHBondContact O-N 2.82Š| ||
| 229 | L | 97.4 | Very high | 95.1 | Very high | 52 Ų | 52 | 81.5 Ų | 81.5 | 27% | 0.272 | 41% | 0.414 | S | S | . | . | trans | -115.7 | 145.8 | 176.2 | -68.3 | 174 | 0 | 0 | 0 | 109.4 | E89 Q92 D98 I227 | E89-L229 HydrophobicContact CB-CD1 3.78Å; E89-L229 HydrophobicContact CB-CD2 3.95Å; Q92-L229 HydrophobicContact CB-CB 4.19Å; D98-L229 HydrophobicContact CB-CD1 4.3Å; I227-L229 HydrophobicContact CG2-CB 3.99Å; I227-L229 HydrophobicContact CG2-CD1 4.26Å; I227-L229 HydrophobicContact CG2-CG 4.16Å | ||
| 230 | P | 97.8 | Very high | 94.1 | Very high | 84 Ų | 84 | 85.1 Ų | 85.1 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 145 | 169.2 | 28.6 | -33.9 | 0 | 0 | 0 | 109.8 | L90 C91 Q92 | L90-P230 WeakPolarHBondContact O-CG 3.4Å; C91-P230 CarbonylContact C-O 3.56Å; C91-P230 VanDerWaalsContact CA-O 3.23Å; C91-P230 WeakPolarHBondContact CA-O 3.24Å; C91-P230 HydrophobicContact CB-CG 4.24Å; C91-P230 VanDerWaalsContact CB-O 3.25Å; C91-P230 WeakPolarHBondContact CB-O 3.38Å; Q92-P230 PolarHBondContact N-O 2.79Å |
| 231 | L | 97.2 | Very high | 93 | Very high | 131 Ų | 131 | 86.4 Ų | 86.4 | 69% | 0.686 | 45% | 0.451 | S | S | * | . | B | Isolated β-bridge | trans | -66 | 144.7 | 170 | -65.7 | 176.8 | 0 | 0 | 0 | 110 | Q92 C233 | Q92-L231 HydrophobicContact CB-CD2 4.36Å; Q92-L231 HydrophobicContact CG-CD2 4.49Å; L231-C233 PolarHBondContact O-N 2.77Å |
| 232 | L | 97.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 90.9 Ų | 90.9 | 9% | 0.089 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 124.7 | 175.7 | 170.9 | 63.8 | 0 | 0 | 0 | 110.9 | I9 Q92 V93 I99 W234 L237 | I9-L232 HydrophobicContact CD1-CD2 4.18Å; I9-L232 HydrophobicContact CG1-CD2 4.27Å; Q92-L232 WeakPolarHBondContact O-CB 3.45Å; Q92-L232 PolarHBondContact O-N 2.84Å; V93-L232 HydrophobicContact CG1-CD2 4.24Å; V93-L232 HydrophobicContact CG2-CD2 4.1Å; I99-L232 HydrophobicContact CD1-CD1 3.92Å; I99-L232 HydrophobicContact CD1-CD2 4.37Å; L232-W234 HydrophobicContact CD2-CD2 4.47Å; L232-W234 HydrophobicContact CD2-CE3 4.35Å; L232-W234 HydrophobicContact CD2-CH2 4.36Å; L232-W234 HydrophobicContact CD2-CZ2 4.48Å; L232-W234 HydrophobicContact CD2-CZ3 4.29Å; L232-L237 HydrophobicContact CD1-CD1 4.36Å; L232-L237 HydrophobicContact CD1-CD2 4.13Å; L232-L237 HydrophobicContact CD1-CG 4.14Å; L232-L237 HydrophobicContact CD2-CD1 4.08Å |
| 233 | C | 97 | Very high | 90.9 | Very high | 57 Ų | 57 | 88.2 Ų | 88.2 | 39% | 0.385 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 117.2 | 164.5 | -177 | 0 | 0 | 0 | 0 | 109.2 | L231 D235 D236 | L231-C233 PolarHBondContact O-N 2.77Å; C233-D235 PolarHBondContact O-N 2.99Å; C233-D236 HydrophobicContact CB-CB 4.36Å; C233-D236 WeakPolarHBondContact CB-OD2 3.39Å; C233-D236 WeakPolarHBondContact O-CB 3.2Å; C233-D236 PolarHBondContact O-N 3.13Å |
| 234 | W | 94 | Very high | 89.9 | Confident | 163 Ų | 163 | 83.6 Ų | 83.6 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -62.1 | -28.6 | -178.7 | -65.7 | 96.9 | 0 | 0 | 0 | 113.2 | I9 L232 D236 L237 | I9-W234 HydrophobicContact CB-CH2 4.3Å; I9-W234 HydrophobicContact CB-CZ3 3.98Å; I9-W234 HydrophobicContact CG1-CZ3 4.04Å; I9-W234 HydrophobicContact CG2-CH2 3.9Å; I9-W234 HydrophobicContact CG2-CZ3 4.08Å; L232-W234 HydrophobicContact CD2-CD2 4.47Å; L232-W234 HydrophobicContact CD2-CE3 4.35Å; L232-W234 HydrophobicContact CD2-CH2 4.36Å; L232-W234 HydrophobicContact CD2-CZ2 4.48Å; L232-W234 HydrophobicContact CD2-CZ3 4.29Å; W234-D236 PolarHBondContact O-N 2.89Å; W234-L237 HydrophobicContact CE3-CD1 3.82Å; W234-L237 HydrophobicContact CZ3-CD1 4.15Å; W234-L237 PolarHBondContact O-N 2.86Å |
| 235 | D | 95.1 | Very high | 88.9 | Confident | 130 Ų | 130 | 85.3 Ų | 85.3 | 70% | 0.695 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -69.9 | -15 | 176.1 | -68.6 | -28.3 | 0 | 0 | 0 | 112.7 | K138 C233 L237 | K138-D235 WeakPolarHBondContact CE-O 3.27Å; K138-D235 PolarHBondContact NZ-O 3.4Å; C233-D235 PolarHBondContact O-N 2.99Å; D235-L237 VanDerWaalsContact C-N 3.29Å |
| 236 | D | 95.6 | Very high | 87.5 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 35% | 0.348 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -83 | -7.1 | 176.3 | -69.5 | -25.1 | 0 | 0 | 0 | 113.2 | H137 K138 C233 W234 | H137-D236 WeakPolarHBondContact CA-O 3.29Å; H137-D236 WeakPolarHBondContact CE1-CB 3.14Å; H137-D236 IonicContact CE1-OD2 3.91Å; K138-D236 WeakPolarHBondContact CB-O 3.14Å; K138-D236 WeakPolarHBondContact CG-O 3.27Å; K138-D236 PolarHBondContact N-O 2.93Å; C233-D236 HydrophobicContact CB-CB 4.36Å; C233-D236 WeakPolarHBondContact CB-OD2 3.39Å; C233-D236 WeakPolarHBondContact O-CB 3.2Å; C233-D236 PolarHBondContact O-N 3.13Å; W234-D236 PolarHBondContact O-N 2.89Å |
| 237 | L | 94 | Very high | 85.9 | Confident | 29 Ų | 29 | 82.8 Ų | 82.8 | 15% | 0.152 | 46% | 0.456 | C | S | . | . | B | Isolated β-bridge | trans | -86.7 | 134.8 | 177.1 | -63 | 174 | 0 | 0 | 0 | 111.5 | I9 I99 F136 L232 W234 D235 | I9-L237 HydrophobicContact CD1-CD1 4.07Å; I9-L237 HydrophobicContact CD1-CD2 4.26Å; I9-L237 HydrophobicContact CG1-CD1 3.43Å; I9-L237 VanDerWaalsContact CG1-CD1 3.43Å; I9-L237 HydrophobicContact CG1-CD2 4.45Å; I99-L237 HydrophobicContact CD1-CD2 4.14Å; F136-L237 WeakPolarHBondContact O-CA 3.1Å; L232-L237 HydrophobicContact CD1-CD1 4.36Å; L232-L237 HydrophobicContact CD1-CD2 4.13Å; L232-L237 HydrophobicContact CD1-CG 4.14Å; L232-L237 HydrophobicContact CD2-CD1 4.08Å; W234-L237 HydrophobicContact CE3-CD1 3.82Å; W234-L237 HydrophobicContact CZ3-CD1 4.15Å; W234-L237 PolarHBondContact O-N 2.86Å; D235-L237 VanDerWaalsContact C-N 3.29Å |
| 238 | D | 88.9 | Confident | 84 | Confident | 52 Ų | 52 | 81.8 Ų | 81.8 | 28% | 0.278 | 45% | 0.451 | S | S | . | . | trans | -93.8 | 138.5 | 171.9 | -72.9 | -45.1 | 0 | 0 | 0 | 110.5 | F136 K138 T240 | F136-D238 HydrophobicContact CB-CB 3.85Å; F136-D238 PolarHBondContact O-N 3Å; K138-D238 WeakPolarHBondContact CE-OD1 3.46Å; K138-D238 WeakPolarHBondContact CG-OD2 3.49Å; D238-T240 VanDerWaalsContact C-N 3.3Å | ||
| 239 | Q | 78.6 | Confident | 81.9 | Confident | 193 Ų | 193 | 77.4 Ų | 77.4 | 90% | 0.902 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -77.9 | -20.2 | 174.8 | -64.8 | -177.7 | 1.4 | 0 | 0 | 112.5 | ||
| 240 | T | 76.9 | Confident | 79.5 | Confident | 109 Ų | 109 | 77.2 Ų | 77.2 | 67% | 0.669 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -121.7 | 144.9 | -175.8 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | D238 N242 | D238-T240 VanDerWaalsContact C-N 3.3Å; T240-N242 PolarHBondContact O-N 3.16Å; T240-N242 VanDerWaalsContact O-N 3.13Å |
| 241 | A | 75.6 | Confident | 77 | Confident | 46 Ų | 46 | 79 Ų | 79 | 38% | 0.38 | 46% | 0.458 | S | S | . | . | trans | -77.6 | 102 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F136 L243 | F136-A241 HydrophobicContact CD1-CB 4.25Å; F136-A241 HydrophobicContact CD2-CB 4.19Å; F136-A241 HydrophobicContact CE1-CB 3.64Å; F136-A241 HydrophobicContact CE2-CB 3.55Å; F136-A241 HydrophobicContact CZ-CB 3.24Å; A241-L243 HydrophobicContact CB-CD1 3.57Å; A241-L243 HydrophobicContact CB-CD2 3.97Å; A241-L243 HydrophobicContact CB-CG 3.52Å; A241-L243 PolarHBondContact O-N 2.87Å | ||
| 242 | N | 76.4 | Confident | 74.6 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 62% | 0.62 | 43% | 0.432 | S | S | * | . | trans | -83.2 | 89.6 | 162.1 | -171.3 | -5.8 | 0 | 0 | 0 | 108.9 | V142 T240 | V142-N242 WeakPolarHBondContact CG2-O 3.41Å; T240-N242 PolarHBondContact O-N 3.16Å; T240-N242 VanDerWaalsContact O-N 3.13Å | ||
| 243 | L | 72.4 | Confident | 72.1 | Confident | 13 Ų | 13 | 79 Ų | 79 | 7% | 0.068 | 46% | 0.462 | C | S | . | . | trans | -101.7 | 3.3 | -174 | -56.2 | 172.3 | 0 | 0 | 0 | 113.3 | F136 R148 L150 R177 A241 | F136-L243 HydrophobicContact CE1-CD2 4.12Å; R148-L243 HydrophobicContact CB-CD2 4.39Å; R148-L243 HydrophobicContact CG-CD2 3.58Å; L150-L243 HydrophobicContact CD1-CD1 3.58Å; L150-L243 HydrophobicContact CD2-CD1 3.86Å; L150-L243 HydrophobicContact CD2-CD2 3.56Å; L150-L243 HydrophobicContact CD2-CG 4.37Å; L150-L243 HydrophobicContact CG-CD1 3.79Å; L150-L243 HydrophobicContact CG-CD2 4.24Å; R177-L243 VanDerWaalsContact NH1-CB 3.32Å; R177-L243 VanDerWaalsContact NH2-CB 3.27Å; R177-L243 PolarHBondContact NH2-O 3.08Å; R177-L243 VanDerWaalsContact NH2-O 3.09Å; A241-L243 HydrophobicContact CB-CD1 3.57Å; A241-L243 HydrophobicContact CB-CD2 3.97Å; A241-L243 HydrophobicContact CB-CG 3.52Å; A241-L243 PolarHBondContact O-N 2.87Å | ||
| 244 | G | 75.3 | Confident | 69.6 | Low | 31 Ų | 31 | 80.8 Ų | 80.8 | 32% | 0.32 | 48% | 0.475 | S | S | . | . | trans | 57.5 | -161.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R177 | R177-G244 PolarHBondContact NH2-O 2.86Š| ||
| 245 | P | 72.1 | Confident | 67.1 | Low | 85 Ų | 85 | 75.1 Ų | 75.1 | 55% | 0.552 | 46% | 0.457 | S | S | * | . | trans | -72.6 | 149.1 | -175.5 | 29.9 | -33.8 | 0 | 0 | 0 | 112 | ||||
| 246 | T | 67.4 | Low | 64.4 | Low | 71 Ų | 71 | 72.2 Ų | 72.2 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | trans | -99.4 | 1.4 | 173.9 | 53 | 0 | 0 | 0 | 0 | 113 | R177 G178 D248 | R177-T246 HydrophobicContact CB-CG2 4.41Å; R177-T246 VanDerWaalsContact NH2-CG2 3.33Å; G178-T246 WeakPolarHBondContact CA-O 3.25Å; T246-D248 PolarHBondContact O-N 2.94Å; T246-D248 VanDerWaalsContact O-N 3.17Å | ||
| 247 | D | 62.1 | Low | 62 | Low | 108 Ų | 108 | 73.5 Ų | 73.5 | 58% | 0.578 | 46% | 0.456 | S | S | * | . | trans | -74 | 109.2 | -174.4 | -173.3 | 15.1 | 0 | 0 | 0 | 110.6 | K111 G249 | K111-D247 VanDerWaalsContact CE-O 3.3Å; K111-D247 WeakPolarHBondContact CE-O 3.23Å; K111-D247 PolarHBondContact NZ-O 3.14Å; D247-G249 PolarHBondContact O-N 2.89Å; D247-G249 PolarHBondContact OD1-N 3.37Å | ||
| 248 | D | 56.6 | Low | 59.3 | Low | 14 Ų | 14 | 78.8 Ų | 78.8 | 8% | 0.075 | 48% | 0.484 | C | S | . | . | trans | -66.7 | -9.8 | 171.9 | -80.6 | -64.8 | 0 | 0 | 0 | 112.1 | K111 R113 I147 K179 T246 G250 I252 | K111-D248 PolarHBondContact N-OD1 2.83Å; R113-D248 IonicContact CZ-OD1 2.83Å; R113-D248 IonicContact NH1-OD1 3.56Å; R113-D248 PolarHBondContact NH1-OD1 2.95Å; R113-D248 IonicContact NH2-OD1 2.63Å; R113-D248 PolarHBondContact NH2-OD1 3.43Å; R113-D248 VanDerWaalsContact NH2-OD1 3.07Å; R113-D248 IonicContact NH2-OD2 2.99Å; R113-D248 PolarHBondContact NH2-OD2 2.69Å; I147-D248 HydrophobicContact CD1-CB 4.47Å; I147-D248 WeakPolarHBondContact CD1-OD1 3.43Å; K179-D248 PolarHBondContact N-OD2 3.41Å; T246-D248 PolarHBondContact O-N 2.94Å; T246-D248 VanDerWaalsContact O-N 3.17Å; D248-G250 VanDerWaalsContact C-N 3.34Å; D248-G250 PolarHBondContact O-N 2.77Å; D248-I252 HydrophobicContact CB-CD1 3.95Å | ||
| 249 | G | 52 | Low | 56.5 | Low | 60 Ų | 60 | 82.1 Ų | 82.1 | 62% | 0.619 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 73.8 | 17.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D247 | D247-G249 PolarHBondContact O-N 2.89Å; D247-G249 PolarHBondContact OD1-N 3.37Å |
| 250 | G | 48.1 | Very low | 54 | Low | 47 Ų | 47 | 76.4 Ų | 76.4 | 49% | 0.485 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -154.8 | 147.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D248 I252 | D248-G250 VanDerWaalsContact C-N 3.34Å; D248-G250 PolarHBondContact O-N 2.77Å; G250-I252 VanDerWaalsContact O-CG1 3.26Å; G250-I252 WeakPolarHBondContact O-CG1 3.3Å; G250-I252 PolarHBondContact O-N 2.82Å; G250-I252 VanDerWaalsContact O-N 3.08Å |
| 251 | D | 43.9 | Very low | 51.8 | Low | 123 Ų | 123 | 73.3 Ų | 73.3 | 66% | 0.658 | 46% | 0.456 | S | S | * | . | trans | -69.3 | 100.7 | 171.9 | -167.4 | -6.2 | 0 | 0 | 0 | 108.6 | T253 | D251-T253 PolarHBondContact O-N 3.31Å; D251-T253 VanDerWaalsContact O-N 3.08Å; D251-T253 WeakPolarHBondContact OD1-CB 3.49Å; D251-T253 VanDerWaalsContact OD1-CG2 3.28Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.38Å; D251-T253 PolarHBondContact OD1-N 3.43Å; D251-T253 PolarHBondContact OD1-OG1 2.97Å; D251-T253 PolarHBondContact OD2-OG1 3.31Å | ||
| 252 | I | 46.9 | Very low | 49.4 | Very low | 30 Ų | 30 | 75.7 Ų | 75.7 | 15% | 0.154 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -74 | 2.5 | -172.6 | -39.3 | 176.8 | 0 | 0 | 0 | 111.3 | L110 K179 P181 D248 G250 S254 L255 | L110-I252 HydrophobicContact CD2-CD1 4.11Å; L110-I252 HydrophobicContact CD2-CG2 4.07Å; K179-I252 HydrophobicContact CB-CD1 3.71Å; K179-I252 WeakPolarHBondContact O-CD1 2.97Å; P181-I252 HydrophobicContact CG-CG2 3.9Å; D248-I252 HydrophobicContact CB-CD1 3.95Å; G250-I252 VanDerWaalsContact O-CG1 3.26Å; G250-I252 WeakPolarHBondContact O-CG1 3.3Å; G250-I252 PolarHBondContact O-N 2.82Å; G250-I252 VanDerWaalsContact O-N 3.08Å; I252-S254 PolarHBondContact O-N 3.18Å; I252-L255 HydrophobicContact CG2-CD1 3.58Å; I252-L255 HydrophobicContact CG2-CG 4.41Å |
| 253 | T | 46 | Very low | 47.4 | Very low | 116 Ų | 116 | 75 Ų | 75 | 71% | 0.712 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -64.8 | -16.3 | 177.3 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | D251 | D251-T253 PolarHBondContact O-N 3.31Å; D251-T253 VanDerWaalsContact O-N 3.08Å; D251-T253 WeakPolarHBondContact OD1-CB 3.49Å; D251-T253 VanDerWaalsContact OD1-CG2 3.28Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.38Å; D251-T253 PolarHBondContact OD1-N 3.43Å; D251-T253 PolarHBondContact OD1-OG1 2.97Å; D251-T253 PolarHBondContact OD2-OG1 3.31Å |
| 254 | S | 44.3 | Very low | 45.1 | Very low | 95 Ų | 95 | 80.4 Ų | 80.4 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -108.7 | 18.9 | -175.1 | 73.6 | 0 | 0 | 0 | 0 | 115.8 | I252 P256 | I252-S254 PolarHBondContact O-N 3.18Å; S254-P256 VanDerWaalsContact O-CD 3.26Å; S254-P256 WeakPolarHBondContact O-CD 3.35Å; S254-P256 VanDerWaalsContact O-N 3.15Å |
| 255 | L | 40.7 | Very low | 42.7 | Very low | 44 Ų | 44 | 88 Ų | 88 | 23% | 0.23 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -60 | 118.8 | 167.6 | -92.9 | 158.9 | 0 | 0 | 0 | 108.1 | W183 I252 T257 | W183-L255 HydrophobicContact CH2-CB 4.14Å; W183-L255 HydrophobicContact CH2-CD1 4.21Å; W183-L255 HydrophobicContact CZ2-CB 3.62Å; W183-L255 HydrophobicContact CZ2-CD1 3.76Å; W183-L255 HydrophobicContact CZ2-CG 4.24Å; I252-L255 HydrophobicContact CG2-CD1 3.58Å; I252-L255 HydrophobicContact CG2-CG 4.41Å; L255-T257 PolarHBondContact O-N 2.83Å; L255-T257 VanDerWaalsContact O-N 3.08Å |
| 256 | P | 38.5 | Very low | 40.4 | Very low | 69 Ų | 69 | 90.3 Ų | 90.3 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | trans | -57.1 | 120.7 | 179.2 | -19.7 | 30.4 | 0 | 0 | 0 | 108.5 | S254 D258 E259 | S254-P256 VanDerWaalsContact O-CD 3.26Å; S254-P256 WeakPolarHBondContact O-CD 3.35Å; S254-P256 VanDerWaalsContact O-N 3.15Å; P256-D258 PolarHBondContact O-N 2.83Å; P256-E259 HydrophobicContact CB-CB 4.14Å; P256-E259 HydrophobicContact CB-CG 4.02Å; P256-E259 HydrophobicContact CG-CB 4.47Å; P256-E259 HydrophobicContact CG-CG 4.19Å; P256-E259 PolarHBondContact O-N 3.21Å | ||
| 257 | T | 45.3 | Very low | 38.4 | Very low | 93 Ų | 93 | 91.2 Ų | 91.2 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.5 | -177.9 | 41.9 | 0 | 0 | 0 | 0 | 112.8 | K187 L255 | K187-T257 PolarHBondContact NZ-O 2.86Å; L255-T257 PolarHBondContact O-N 2.83Å; L255-T257 VanDerWaalsContact O-N 3.08Å |
| 258 | D | 37.7 | Very low | 36.6 | Very low | 140 Ų | 140 | 91.4 Ų | 91.4 | 75% | 0.749 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 0.9 | -171.4 | -60 | -35.1 | 0 | 0 | 0 | 114.6 | P256 P260 | P256-D258 PolarHBondContact O-N 2.83Å; D258-P260 WeakPolarHBondContact O-CD 3.33Å |
| 259 | E | 30.2 | Very low | 35.2 | Very low | 122 Ų | 122 | 98.5 Ų | 98.5 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -73.5 | 116.9 | 165.3 | -84 | -160.9 | 164.8 | 0 | 0 | 108.2 | P256 I261 | P256-E259 HydrophobicContact CB-CB 4.14Å; P256-E259 HydrophobicContact CB-CG 4.02Å; P256-E259 HydrophobicContact CG-CB 4.47Å; P256-E259 HydrophobicContact CG-CG 4.19Å; P256-E259 PolarHBondContact O-N 3.21Å; E259-I261 PolarHBondContact O-N 3.25Å; E259-I261 VanDerWaalsContact O-N 3.11Å |
| 260 | P | 25.4 | Very low | 33.8 | Very low | 73 Ų | 73 | 102.5 Ų | 102.5 | 47% | 0.474 | 56% | 0.563 | S | S | . | * | trans | -57.8 | 125.1 | 167.2 | 25.5 | -30.4 | 0 | 0 | 0 | 105.8 | D258 L262 | D258-P260 WeakPolarHBondContact O-CD 3.33Å; P260-L262 VanDerWaalsContact C-N 3.31Å; P260-L262 PolarHBondContact O-N 2.74Å | ||
| 261 | I | 31.4 | Very low | 32.7 | Very low | 43 Ų | 43 | 104.6 Ų | 104.6 | 22% | 0.221 | 57% | 0.57 | C | S | . | * | trans | -54 | 104.8 | 173.9 | -65.1 | 169.4 | 0 | 0 | 0 | 105.7 | P107 W183 E259 L263 | P107-I261 HydrophobicContact CB-CG2 3.82Å; P107-I261 HydrophobicContact CG-CG2 4.03Å; W183-I261 HydrophobicContact CZ3-CD1 4.46Å; E259-I261 PolarHBondContact O-N 3.25Å; E259-I261 VanDerWaalsContact O-N 3.11Å; I261-L263 PolarHBondContact O-N 2.89Å | ||
| 262 | L | 25.1 | Very low | 31.8 | Very low | 97 Ų | 97 | 106.8 Ų | 106.8 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | trans | -71.1 | 78 | -176.3 | -73.1 | 169.2 | 0 | 0 | 0 | 107.5 | P260 R265 | P260-L262 VanDerWaalsContact C-N 3.31Å; P260-L262 PolarHBondContact O-N 2.74Å; L262-R265 HydrophobicContact CD2-CG 4.03Å | ||
| 263 | L | 34 | Very low | 30.8 | Very low | 101 Ų | 101 | 114.1 Ų | 114.1 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -74.4 | 116.9 | 149.6 | -72.7 | 166.3 | 0 | 0 | 0 | 105.1 | M192 I261 R265 | M192-L263 HydrophobicContact CG-CD1 4.31Å; M192-L263 HydrophobicContact SD-CD1 3.94Å; I261-L263 PolarHBondContact O-N 2.89Å; L263-R265 PolarHBondContact O-N 3.08Å |
| 264 | D | 24.7 | Very low | 29.9 | Very low | 127 Ų | 127 | 117 Ų | 117 | 68% | 0.679 | 62% | 0.616 | S | S | * | * | trans | -23.1 | 117.1 | -169.2 | -136.9 | -14.6 | 0 | 0 | 0 | 114.2 | N266 | D264-N266 PolarHBondContact O-N 3.08Š| ||
| 265 | R | 24 | Very low | 28.9 | Very low | 189 Ų | 189 | 121.9 Ų | 121.9 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | trans | -68.6 | 9.8 | -174.2 | -86.3 | -176.5 | 163.6 | -175.6 | -3.8 | 114.3 | L262 L263 D267 | L262-R265 HydrophobicContact CD2-CG 4.03Å; L263-R265 PolarHBondContact O-N 3.08Å; R265-D267 PolarHBondContact O-N 3.42Å | ||
| 266 | N | 24.6 | Very low | 28.3 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 65% | 0.653 | S | S | * | * | trans | -87.1 | 9.3 | -164.3 | -92.7 | -3.5 | 0 | 0 | 0 | 117.3 | D264 | D264-N266 PolarHBondContact O-N 3.08Š| ||
| 267 | D | 26 | Very low | 27.8 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 48% | 0.476 | 67% | 0.673 | S | S | . | * | trans | -106.5 | 77.4 | 166.9 | -75.1 | -15.1 | 0 | 0 | 0 | 110.8 | R195 R265 F269 | R195-D267 IonicContact CZ-OD2 2.78Å; R195-D267 IonicContact NH1-OD2 3.04Å; R195-D267 VanDerWaalsContact NH2-CB 3.32Å; R195-D267 IonicContact NH2-OD2 3.96Å; R195-D267 PolarHBondContact NH2-OD2 3.35Å; R265-D267 PolarHBondContact O-N 3.42Å; D267-F269 PolarHBondContact O-N 3.47Å | ||
| 268 | S | 24 | Very low | 27.1 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | trans | -57 | 104.3 | 164.7 | -47.4 | 0 | 0 | 0 | 0 | 109.2 | N270 | S268-N270 PolarHBondContact O-N 3.17Š| ||
| 269 | F | 26.1 | Very low | 26.7 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 72% | 0.719 | 69% | 0.689 | S | S | * | * | trans | -79.4 | 107.2 | 166.4 | -178.5 | -108.5 | 0 | 0 | 0 | 108.1 | D267 S271 | D267-F269 PolarHBondContact O-N 3.47Å; F269-S271 VanDerWaalsContact CE1-CB 3.46Å | ||
| 270 | N | 22.8 | Very low | 26.6 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | trans | -82.5 | 115 | 164.5 | -145 | 10.2 | 0 | 0 | 0 | 107 | S268 Q272 | S268-N270 PolarHBondContact O-N 3.17Å; N270-Q272 PolarHBondContact O-N 2.84Å; N270-Q272 VanDerWaalsContact O-N 3.16Å | ||
| 271 | S | 25.9 | Very low | 26.7 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 29.8 | -169.5 | 49.3 | 0 | 0 | 0 | 0 | 114.1 | F269 | F269-S271 VanDerWaalsContact CE1-CB 3.46Š|
| 272 | Q | 24.3 | Very low | 26.5 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 7.8 | -169.1 | -72 | -155 | -55.8 | 0 | 0 | 117.7 | N270 | N270-Q272 PolarHBondContact O-N 2.84Å; N270-Q272 VanDerWaalsContact O-N 3.16Å |
| 273 | E | 25.1 | Very low | 26.5 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -124.5 | 93.9 | 173.9 | -76.9 | -178.4 | 161.9 | 0 | 0 | 111 | ||||
| 274 | E | 27.7 | Very low | 26.2 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 168.8 | 66.3 | 134.5 | -91 | 176.9 | 172.8 | 0 | 0 | 109.1 | K276 | E274-K276 PolarHBondContact O-N 3.47Š| ||
| 275 | Q | 23.8 | Very low | 26.1 | Very low | 198 Ų | 198 | 156.2 Ų | 156.2 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | trans | -82.7 | 84.8 | 145 | -82.9 | -175.4 | -24.6 | 0 | 0 | 105.9 | ||||
| 276 | K | 27.9 | Very low | 26.2 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -109.9 | 122 | 157.7 | -92.2 | -179.1 | 174.5 | 176.7 | 0 | 106.4 | E274 V278 | E274-K276 PolarHBondContact O-N 3.47Å; K276-V278 PolarHBondContact O-N 3.02Å | ||
| 277 | D | 29 | Very low | 26.3 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -49.4 | 103.5 | 174.7 | -56.9 | -53.1 | 0 | 0 | 0 | 108.8 | ||||
| 278 | V | 30.1 | Very low | 26.4 | Very low | 134 Ų | 134 | 157.5 Ų | 157.5 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -89.5 | 110.6 | 165 | 179.1 | 0 | 0 | 0 | 0 | 104.6 | K276 | K276-V278 PolarHBondContact O-N 3.02Š| ||
| 279 | E | 29.5 | Very low | 26.7 | Very low | 177 Ų | 177 | 155.7 Ų | 155.7 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -49.3 | 138.2 | 172.8 | -68.3 | 176.5 | 155.4 | 0 | 0 | 109.9 | E281 | E279-E281 PolarHBondContact O-N 3.18Š| ||
| 280 | E | 27 | Very low | 26.8 | Very low | 202 Ų | 202 | 151.5 Ų | 151.5 | 94% | 0.944 | 78% | 0.777 | S | S | * | * | trans | -59.6 | 93.1 | 179.8 | -68.1 | 176.1 | 157.7 | 0 | 0 | 110 | ||||
| 281 | E | 28.3 | Very low | 27.5 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -73.4 | 129.5 | 163.9 | -86.1 | -170.7 | 165.7 | 0 | 0 | 109.5 | E279 V283 | E279-E281 PolarHBondContact O-N 3.18Å; E281-V283 PolarHBondContact O-N 2.84Å | ||
| 282 | E | 26.9 | Very low | 27.9 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -54.2 | 124.4 | -176.7 | -151.1 | 172.1 | -165.9 | 0 | 0 | 111 | V284 | E282-V284 PolarHBondContact O-N 2.76Š| ||
| 283 | V | 25.5 | Very low | 28.5 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | trans | -67.9 | 94.1 | 178.3 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | E281 E285 | E281-V283 PolarHBondContact O-N 2.84Å; V283-E285 PolarHBondContact O-N 3.33Å; V283-E285 VanDerWaalsContact O-N 3.15Å | ||
| 284 | V | 26.7 | Very low | 28.9 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | trans | -73.2 | 105.5 | 166.5 | -174.7 | 0 | 0 | 0 | 0 | 107.2 | E282 F286 | E282-V284 PolarHBondContact O-N 2.76Å; V284-F286 HydrophobicContact CG1-CE2 4.36Å; V284-F286 PolarHBondContact O-N 3.44Å | ||
| 285 | E | 23.7 | Very low | 29.1 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -61.6 | 100.7 | 172.4 | -169.5 | 170.5 | -162 | 0 | 0 | 108.6 | V283 D287 | V283-E285 PolarHBondContact O-N 3.33Å; V283-E285 VanDerWaalsContact O-N 3.15Å; E285-D287 PolarHBondContact O-N 2.66Å | ||
| 286 | F | 25.3 | Very low | 29.6 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 77% | 0.772 | 68% | 0.675 | S | S | * | * | trans | -78.1 | 118.1 | 171.1 | -87.9 | -87.3 | 0 | 0 | 0 | 108.8 | V284 S288 | V284-F286 HydrophobicContact CG1-CE2 4.36Å; V284-F286 PolarHBondContact O-N 3.44Å; F286-S288 PolarHBondContact O-N 2.95Å; F286-S288 VanDerWaalsContact O-N 3.09Å | ||
| 287 | D | 27.6 | Very low | 29.9 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | trans | -51.9 | 117.2 | 165.5 | -81.6 | -35.9 | 0 | 0 | 0 | 109.2 | E285 V289 | E285-D287 PolarHBondContact O-N 2.66Å; D287-V289 VanDerWaalsContact C-N 3.3Å; D287-V289 PolarHBondContact O-N 3.33Å | ||
| 288 | S | 28.3 | Very low | 30 | Very low | 115 Ų | 115 | 120.2 Ų | 120.2 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | trans | -68 | 90.4 | 173.2 | 58.3 | 0 | 0 | 0 | 0 | 108.7 | F286 P290 | F286-S288 PolarHBondContact O-N 2.95Å; F286-S288 VanDerWaalsContact O-N 3.09Å; S288-P290 WeakPolarHBondContact O-CD 3.48Å | ||
| 289 | V | 28.5 | Very low | 29.9 | Very low | 74 Ų | 74 | 117.6 Ų | 117.6 | 45% | 0.448 | 62% | 0.617 | S | S | . | * | trans | -66 | 126.6 | 169.9 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | D287 V291 D293 Q294 | D287-V289 VanDerWaalsContact C-N 3.3Å; D287-V289 PolarHBondContact O-N 3.33Å; V289-V291 PolarHBondContact O-N 3.1Å; V289-D293 HydrophobicContact CG1-CB 3.91Å; V289-Q294 HydrophobicContact CG1-CG 4.24Å | ||
| 290 | P | 30.2 | Very low | 30 | Very low | 77 Ų | 77 | 114.4 Ų | 114.4 | 50% | 0.5 | 61% | 0.605 | S | S | . | * | trans | -53.9 | 134.9 | 177.9 | -25.4 | 34.3 | 0 | 0 | 0 | 111.4 | S288 Q292 D293 | S288-P290 WeakPolarHBondContact O-CD 3.48Å; P290-Q292 PolarHBondContact O-N 2.92Å; P290-D293 PolarHBondContact O-N 3.09Å | ||
| 291 | V | 36 | Very low | 30.2 | Very low | 57 Ų | 57 | 108.1 Ų | 108.1 | 35% | 0.345 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -51.2 | -30 | 178.7 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | V289 D293 Q294 I295 | V289-V291 PolarHBondContact O-N 3.1Å; V291-D293 PolarHBondContact O-N 3.4Å; V291-Q294 PolarHBondContact O-N 2.82Å; V291-I295 HydrophobicContact CG1-CD1 3.58Å; V291-I295 HydrophobicContact CG1-CG1 4.11Å; V291-I295 WeakPolarHBondContact O-CG1 3.39Å; V291-I295 PolarHBondContact O-N 2.92Å |
| 292 | Q | 33.9 | Very low | 30.1 | Very low | 150 Ų | 150 | 104.4 Ų | 104.4 | 70% | 0.701 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.2 | -41.8 | 175.3 | -106.5 | 146.8 | -27.9 | 0 | 0 | 113.1 | P290 Q296 | P290-Q292 PolarHBondContact O-N 2.92Å; Q292-Q296 WeakPolarHBondContact O-CB 3.4Å; Q292-Q296 PolarHBondContact O-N 2.86Å; Q292-Q296 VanDerWaalsContact O-N 3.11Å |
| 293 | D | 37.3 | Very low | 30.1 | Very low | 98 Ų | 98 | 101.1 Ų | 101.1 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.2 | -32.3 | -178.6 | -66.1 | -29.1 | 0 | 0 | 0 | 111.8 | V289 P290 V291 | V289-D293 HydrophobicContact CG1-CB 3.91Å; P290-D293 PolarHBondContact O-N 3.09Å; V291-D293 PolarHBondContact O-N 3.4Å |
| 294 | Q | 33.4 | Very low | 30.2 | Very low | 79 Ų | 79 | 101.6 Ų | 101.6 | 37% | 0.369 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -77 | -33.8 | 177.7 | -65.5 | -170.6 | -1.8 | 0 | 0 | 113.1 | V289 V291 Q296 S297 | V289-Q294 HydrophobicContact CG1-CG 4.24Å; V291-Q294 PolarHBondContact O-N 2.82Å; Q294-Q296 VanDerWaalsContact C-N 3.32Å; Q294-S297 PolarHBondContact O-OG 3.29Å |
| 295 | I | 31.3 | Very low | 30.3 | Very low | 41 Ų | 41 | 100.9 Ų | 100.9 | 21% | 0.21 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -70.7 | -33.7 | 173.7 | -66.8 | 175.1 | 0 | 0 | 0 | 110.2 | V20 V291 S297 C298 V299 | V20-I295 HydrophobicContact CG1-CD1 4.34Å; V291-I295 HydrophobicContact CG1-CD1 3.58Å; V291-I295 HydrophobicContact CG1-CG1 4.11Å; V291-I295 WeakPolarHBondContact O-CG1 3.39Å; V291-I295 PolarHBondContact O-N 2.92Å; I295-S297 VanDerWaalsContact C-N 3.32Å; I295-S297 PolarHBondContact O-N 2.72Å; I295-C298 WeakPolarHBondContact O-CB 3.4Å; I295-C298 PolarHBondContact O-N 3.13Å; I295-C298 VanDerWaalsContact O-N 3.13Å; I295-V299 HydrophobicContact CG2-CG2 4.18Å; I295-V299 WeakPolarHBondContact O-CG2 2.89Å; I295-V299 PolarHBondContact O-N 3.22Å; I295-V299 VanDerWaalsContact O-N 3.08Å |
| 296 | Q | 35.9 | Very low | 30.4 | Very low | 110 Ų | 110 | 98.4 Ų | 98.4 | 51% | 0.514 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68 | -29.3 | -176.4 | -151.5 | 137.4 | -17.2 | 0 | 0 | 113.1 | Q292 Q294 V299 N300 | Q292-Q296 WeakPolarHBondContact O-CB 3.4Å; Q292-Q296 PolarHBondContact O-N 2.86Å; Q292-Q296 VanDerWaalsContact O-N 3.11Å; Q294-Q296 VanDerWaalsContact C-N 3.32Å; Q296-V299 PolarHBondContact O-N 3.12Å; Q296-N300 WeakPolarHBondContact O-CB 3.46Å; Q296-N300 PolarHBondContact O-N 3.27Å |
| 297 | S | 33.1 | Very low | 30.6 | Very low | 68 Ų | 68 | 96.4 Ų | 96.4 | 48% | 0.476 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.2 | -39.9 | 171.3 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | Q294 I295 G301 | Q294-S297 PolarHBondContact O-OG 3.29Å; I295-S297 VanDerWaalsContact C-N 3.32Å; I295-S297 PolarHBondContact O-N 2.72Å; S297-G301 PolarHBondContact O-N 3.04Å |
| 298 | C | 30.6 | Very low | 30.8 | Very low | 37 Ų | 37 | 94.5 Ų | 94.5 | 25% | 0.25 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -67.7 | -34.9 | 176.8 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | I295 T302 | I295-C298 WeakPolarHBondContact O-CB 3.4Å; I295-C298 PolarHBondContact O-N 3.13Å; I295-C298 VanDerWaalsContact O-N 3.13Å; C298-T302 PolarHBondContact O-OG1 3.41Å |
| 299 | V | 28.7 | Very low | 31 | Very low | 80 Ų | 80 | 96.6 Ų | 96.6 | 49% | 0.485 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -74.6 | -42.3 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | I295 Q296 G301 T302 | I295-V299 HydrophobicContact CG2-CG2 4.18Å; I295-V299 WeakPolarHBondContact O-CG2 2.89Å; I295-V299 PolarHBondContact O-N 3.22Å; I295-V299 VanDerWaalsContact O-N 3.08Å; Q296-V299 PolarHBondContact O-N 3.12Å; V299-G301 VanDerWaalsContact C-N 3.3Å; V299-G301 PolarHBondContact O-N 3.18Å; V299-T302 PolarHBondContact O-N 3.13Å; V299-T302 PolarHBondContact O-OG1 2.98Å |
| 300 | N | 32.4 | Very low | 31.2 | Very low | 110 Ų | 110 | 98.5 Ų | 98.5 | 59% | 0.588 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.9 | -22.2 | -177.1 | -73.8 | -12 | 0 | 0 | 0 | 113.8 | Q296 T302 | Q296-N300 WeakPolarHBondContact O-CB 3.46Å; Q296-N300 PolarHBondContact O-N 3.27Å; N300-T302 PolarHBondContact O-N 2.82Å |
| 301 | G | 29.6 | Very low | 31.2 | Very low | 69 Ų | 69 | 110 Ų | 110 | 71% | 0.711 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -17.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S297 V299 S303 | S297-G301 PolarHBondContact O-N 3.04Å; V299-G301 VanDerWaalsContact C-N 3.3Å; V299-G301 PolarHBondContact O-N 3.18Å; G301-S303 PolarHBondContact O-N 3.18Å |
| 302 | T | 27 | Very low | 31 | Very low | 105 Ų | 105 | 112.7 Ų | 112.7 | 64% | 0.644 | 65% | 0.646 | S | S | * | * | trans | -97 | 48.1 | -178.8 | -1.5 | 0 | 0 | 0 | 0 | 111.8 | C298 V299 N300 I304 | C298-T302 PolarHBondContact O-OG1 3.41Å; V299-T302 PolarHBondContact O-N 3.13Å; V299-T302 PolarHBondContact O-OG1 2.98Å; N300-T302 PolarHBondContact O-N 2.82Å; T302-I304 PolarHBondContact O-N 3.15Å; T302-I304 VanDerWaalsContact O-N 3.11Å | ||
| 303 | S | 27.4 | Very low | 30.9 | Very low | 111 Ų | 111 | 110.7 Ų | 110.7 | 78% | 0.776 | 64% | 0.643 | S | S | * | * | trans | -73.3 | 103.1 | 165.5 | -82.2 | 0 | 0 | 0 | 0 | 109.3 | G301 A305 | G301-S303 PolarHBondContact O-N 3.18Å; S303-A305 PolarHBondContact O-N 3.23Å; S303-A305 VanDerWaalsContact O-N 3.13Å | ||
| 304 | I | 27.4 | Very low | 30.5 | Very low | 147 Ų | 147 | 111.4 Ų | 111.4 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | trans | -46.7 | 111.8 | 175.8 | -65.1 | 160.1 | 0 | 0 | 0 | 109.7 | T302 T306 | T302-I304 PolarHBondContact O-N 3.15Å; T302-I304 VanDerWaalsContact O-N 3.11Å; I304-T306 HydrophobicContact CG2-CG2 4.44Å; I304-T306 PolarHBondContact O-N 2.93Å | ||
| 305 | A | 28.1 | Very low | 30.3 | Very low | 90 Ų | 90 | 113.3 Ų | 113.3 | 74% | 0.744 | 67% | 0.667 | S | S | * | * | trans | -67.2 | 97.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108 | S303 V307 | S303-A305 PolarHBondContact O-N 3.23Å; S303-A305 VanDerWaalsContact O-N 3.13Å; A305-V307 PolarHBondContact O-N 3.25Å | ||
| 306 | T | 27.2 | Very low | 30.3 | Very low | 125 Ų | 125 | 117.8 Ų | 117.8 | 77% | 0.767 | 70% | 0.695 | S | S | * | * | trans | -64.9 | 101.5 | 168.4 | 44.7 | 0 | 0 | 0 | 0 | 108.5 | I304 S308 | I304-T306 HydrophobicContact CG2-CG2 4.44Å; I304-T306 PolarHBondContact O-N 2.93Å; T306-S308 PolarHBondContact O-N 2.99Å; T306-S308 VanDerWaalsContact O-N 3.14Å | ||
| 307 | V | 29.2 | Very low | 29.9 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 81% | 0.806 | 71% | 0.707 | S | S | * | * | trans | -68.4 | 106.5 | 167.8 | 178.7 | 0 | 0 | 0 | 0 | 106.9 | A305 D309 | A305-V307 PolarHBondContact O-N 3.25Å; V307-D309 PolarHBondContact O-N 3.3Å | ||
| 308 | S | 30.9 | Very low | 29.7 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -72.9 | 112.5 | 172.8 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | T306 S310 | T306-S308 PolarHBondContact O-N 2.99Å; T306-S308 VanDerWaalsContact O-N 3.14Å; S308-S310 PolarHBondContact O-N 3.23Å; S308-S310 VanDerWaalsContact O-N 3.15Å | ||
| 309 | D | 32.1 | Very low | 29.6 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -59.3 | 109.7 | 166.8 | -93.6 | -31.6 | 0 | 0 | 0 | 109.8 | V307 R311 | V307-D309 PolarHBondContact O-N 3.3Å; D309-R311 PolarHBondContact O-N 2.7Å | ||
| 310 | S | 33.9 | Very low | 29.7 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -73.8 | 111.5 | 164.6 | 54.8 | 0 | 0 | 0 | 0 | 109 | S308 | S308-S310 PolarHBondContact O-N 3.23Å; S308-S310 VanDerWaalsContact O-N 3.15Å | ||
| 311 | R | 30.6 | Very low | 29.4 | Very low | 319 Ų | 319 | 134.5 Ų | 134.5 | 100% | 1.204 | 80% | 0.801 | S | S | * | * | trans | -71.6 | 0 | 154.8 | -77.1 | -176.3 | 176.7 | -175.2 | -0.9 | 110.8 | D309 | D309-R311 PolarHBondContact O-N 2.7Š|
Retrieved 311 of 311 residues in 89.7 ms
(Link to these results)